file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,012,860 | 11.1646 | 0.0004 | 8.8148 | 0.0002 | 13.0731 | 0.0004 | 90 | null | 93.542 | 0.002 | 90 | 0.002 | 1,284.11 | 0.07 | 293 | null | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 4-benzenesulfonylmethyl-2-methyl-5-nitro-thiazole | - C11 H10 N2 O4 S2 - | - C11 H10 N2 O4 S2 - | - C44 H40 N8 O16 S8 - | 4 | 1 | DN1013 | Crozet, M. D.; Vanelle, P.; Giorgi, M.; Gellis, A. | 2-[2-Methyl-5-nitro-4-(phenylsulfonylmethyl)imidazol-1-yl]ethanol and 2-methyl-5-nitro-4-phenylsulfonylmethyl-1,3-thiazole | Acta Crystallographica Section C | 2,002 | 58 | 8 | o496 | o498 | 10.1107/S0108270102011964 | 0.71073 | MoKα | 0.0389 | 0.0364 | null | null | 0.0957 | 0.0973 | null | null | null | null | null | 1.161 | null | null | has coordinates,has Fobs | Crozet, M. D.; Vanelle, P.; Giorgi, M.; Gellis, A.
2-[2-Methyl-5-nitro-4-(phenylsulfonylmethyl)imidazol-1-yl]ethanol and 2-methyl-5-nitro-4-phenylsulfonylmethyl-1,3-thiazole
Acta Crystallographica Section C
58(8)
(2002)
o496-o498 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012860.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,861 | 7.9689 | 0.0011 | 7.603 | 0.0008 | 24.654 | 0.003 | 90 | null | 90 | null | 90 | null | 1,493.7 | 0.3 | 123 | 2 | 123 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 2-nitrophenylacetonitrile | (2-nitrophenyl)acetonitrile | - C8 H6 N2 O2 - | - C8 H6 N2 O2 - | - C64 H48 N16 O16 - | 8 | 1 | FG1652 | Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W. | (<i>n</i>-Nitrophenyl)acetonitrile, with <i>n</i> = 2, 3 and 4 | Acta Crystallographica Section C | 2,002 | 58 | 8 | o528 | o532 | 10.1107/S0108270102011514 | 0.71073 | MoKα | 0.048 | 0.041 | null | null | 0.119 | 0.123 | null | null | null | null | null | 1.082 | null | null | has coordinates,has Fobs | Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.
(<i>n</i>-Nitrophenyl)acetonitrile, with <i>n</i> = 2, 3 and 4
Acta Crystallographica Section C
58(8)
(2002)
o528-o532 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012861.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,862 | 5.3641 | 0.0004 | 11.5157 | 0.0009 | 12.1981 | 0.001 | 90 | null | 100.369 | 0.002 | 90 | null | 741.19 | 0.1 | 123 | 2 | 123 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 3-nitrophenylacetonitrile | (3-nitrophenyl)acetonitrile | - C8 H6 N2 O2 - | - C8 H6 N2 O2 - | - C32 H24 N8 O8 - | 4 | 1 | FG1652 | Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W. | (<i>n</i>-Nitrophenyl)acetonitrile, with <i>n</i> = 2, 3 and 4 | Acta Crystallographica Section C | 2,002 | 58 | 8 | o528 | o532 | 10.1107/S0108270102011514 | 0.71073 | MoKα | 0.047 | 0.039 | null | null | 0.115 | 0.118 | null | null | null | null | null | 1.094 | null | null | has coordinates,has Fobs | Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.
(<i>n</i>-Nitrophenyl)acetonitrile, with <i>n</i> = 2, 3 and 4
Acta Crystallographica Section C
58(8)
(2002)
o528-o532 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012862.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,863 | 8.1695 | 0.0007 | 5.9775 | 0.0005 | 15.726 | 0.0013 | 90 | null | 100.695 | 0.002 | 90 | null | 754.61 | 0.11 | 123 | 2 | 123 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4-nitrophenylacetonitrile | (4-nitrophenyl)acetonitrile | - C8 H6 N2 O2 - | - C8 H6 N2 O2 - | - C32 H24 N8 O8 - | 4 | 1 | FG1652 | Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W. | (<i>n</i>-Nitrophenyl)acetonitrile, with <i>n</i> = 2, 3 and 4 | Acta Crystallographica Section C | 2,002 | 58 | 8 | o528 | o532 | 10.1107/S0108270102011514 | 0.71073 | MoKα | 0.046 | 0.039 | null | null | 0.117 | 0.12 | null | null | null | null | null | 1.079 | null | null | has coordinates,has Fobs | Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.
(<i>n</i>-Nitrophenyl)acetonitrile, with <i>n</i> = 2, 3 and 4
Acta Crystallographica Section C
58(8)
(2002)
o528-o532 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012863.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,864 | 14.0005 | 0.0009 | 6.0243 | 0.0002 | 24.4427 | 0.0006 | 90 | null | 91.903 | 0.003 | 90 | null | 2,060.44 | 0.16 | 132 | 1 | 132 | 1 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | [Hydroxy(4-nitrophenyl)methylene]diphosphonic acid tetrahydrofuran disolvate | - C15 H25 N O11 P2 - | - C15 H25 N O11 P2 - | - C60 H100 N4 O44 P8 - | 4 | 1 | FG1653 | Lecouvey, Marc; Barbey, Carole; Navaza, Alda; Neuman, Alain; Prangé, Thierry | [Hydroxy(aryl)methylene]diphosphonic acids, a class of drugs in bone pathology treatments, crystallize as head-to-head dimers | Acta Crystallographica Section C | 2,002 | 58 | 8 | o521 | o524 | 10.1107/S0108270102012386 | 0.71073 | MoKα | 0.058 | 0.045 | null | null | 0.088 | 0.096 | null | null | null | null | null | 1.019 | null | null | has coordinates,has Fobs | Lecouvey, Marc; Barbey, Carole; Navaza, Alda; Neuman, Alain; Prangé, Thierry
[Hydroxy(aryl)methylene]diphosphonic acids, a class of drugs in bone pathology treatments, crystallize as head-to-head dimers
Acta Crystallographica Section C
58(8)
(2002)
o521-o524 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012864.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,865 | 8.42 | 0.02 | 23.05 | 0.01 | 5.91 | 0.02 | 90 | null | 97.7 | 0.2 | 90 | null | 1,137 | 5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | [Hydroxy(phenyl)methylene]diphosphonic acid monohydrate | - C7 H12 O8 P2 - | - C7 H12 O8 P2 - | - C28 H48 O32 P8 - | 4 | 2 | FG1653 | Lecouvey, Marc; Barbey, Carole; Navaza, Alda; Neuman, Alain; Prangé, Thierry | [Hydroxy(aryl)methylene]diphosphonic acids, a class of drugs in bone pathology treatments, crystallize as head-to-head dimers | Acta Crystallographica Section C | 2,002 | 58 | 8 | o521 | o524 | 10.1107/S0108270102012386 | 1.5418 | CuKα | 0.05 | 0.04 | null | null | 0.095 | 0.096 | null | null | null | null | null | 1.124 | null | null | has coordinates | Lecouvey, Marc; Barbey, Carole; Navaza, Alda; Neuman, Alain; Prangé, Thierry
[Hydroxy(aryl)methylene]diphosphonic acids, a class of drugs in bone pathology treatments, crystallize as head-to-head dimers
Acta Crystallographica Section C
58(8)
(2002)
o521-o524 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012865.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,866 | 11.324 | 0.001 | 9.855 | 0.001 | 35.012 | 0.001 | 90 | null | 90 | null | 90 | null | 3,907.3 | 0.5 | 294 | 1 | 294 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | Cilostazol | 6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one | - C20 H27 N5 O2 - | - C20 H27 N5 O2 - | - C160 H216 N40 O16 - | 8 | 1 | FG1656 | Whittall, Linda B.; Whittle, Robert R.; Stowell, Grayson W. | Polymorphic forms of cilostazol | Acta Crystallographica Section C | 2,002 | 58 | 8 | o525 | o527 | 10.1107/S0108270102012544 | 0.71073 | MoKα | 0.058 | 0.042 | null | 0.045 | null | 0.042 | null | null | 2.102 | null | null | 1.996 | null | null | has coordinates,has Fobs | Whittall, Linda B.; Whittle, Robert R.; Stowell, Grayson W.
Polymorphic forms of cilostazol
Acta Crystallographica Section C
58(8)
(2002)
o525-o527 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012866.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,867 | 5.148 | 0.001 | 10.739 | 0.001 | 35.279 | 0.001 | 90 | null | 94.07 | 0.001 | 90 | null | 1,945.5 | 0.4 | 294 | null | 294 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Cilostazol | 6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one | - C20 H27 N5 O2 - | - C20 H27 N5 O2 - | - C80 H108 N20 O8 - | 4 | 1 | FG1656 | Whittall, Linda B.; Whittle, Robert R.; Stowell, Grayson W. | Polymorphic forms of cilostazol | Acta Crystallographica Section C | 2,002 | 58 | 8 | o525 | o527 | 10.1107/S0108270102012544 | 0.71073 | MoKα | 0.084 | 0.043 | null | 0.11 | null | 0.041 | null | null | 4.189 | null | null | 1.621 | null | null | has coordinates,has Fobs | Whittall, Linda B.; Whittle, Robert R.; Stowell, Grayson W.
Polymorphic forms of cilostazol
Acta Crystallographica Section C
58(8)
(2002)
o525-o527 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012867.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,868 | 5.207 | 0.002 | 5.876 | 0.003 | 15.339 | 0.007 | 82.21 | 0.01 | 81.43 | 0.01 | 72.17 | 0.01 | 439.8 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 | P 1 | 1 | Methyl (R)-5-{2-[1-(tert-butoxycarbonylamino)ethyl]-thiazol-4-yl}-penta- (E,E)-2,4-dienoate | - C16 H22 N2 O4 S - | - C16 H22 N2 O4 S - | - C16 H22 N2 O4 S - | 1 | 1 | FR1371 | Breydo, Leonid; Barnes, Charles L.; Gates, Kent S. | Two (<i>E</i>,<i>E</i>)- and (<i>Z</i>,<i>E</i>)-thiazol-5-ylpenta-2,4-dienones | Acta Crystallographica Section C | 2,002 | 58 | 8 | o447 | o449 | 10.1107/S0108270102007503 | 0.7107 | MoKα | 0.037 | 0.035 | null | null | 0.098 | 0.1 | null | null | null | null | null | 1.116 | null | null | has coordinates,has Fobs | Breydo, Leonid; Barnes, Charles L.; Gates, Kent S.
Two (<i>E</i>,<i>E</i>)- and (<i>Z</i>,<i>E</i>)-thiazol-5-ylpenta-2,4-dienones
Acta Crystallographica Section C
58(8)
(2002)
o447-o449 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012868.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,869 | 10.078 | 0.001 | 8.882 | 0.001 | 8.512 | 0.001 | 90 | null | 109.89 | 0.01 | 90 | null | 716.48 | 0.14 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 c 1 | P -2yc | 7 | 2-methyl-8-oxa-16-thia-3,17-diazabicyclo[12.2.1]heptadeca-(Z,E)- 1(17),10,12,14-tetraene-4,9-dione | - C14 H16 N2 O3 S - | - C14 H16 N2 O3 S - | - C28 H32 N4 O6 S2 - | 2 | 1 | FR1371 | Breydo, Leonid; Barnes, Charles L.; Gates, Kent S. | Two (<i>E</i>,<i>E</i>)- and (<i>Z</i>,<i>E</i>)-thiazol-5-ylpenta-2,4-dienones | Acta Crystallographica Section C | 2,002 | 58 | 8 | o447 | o449 | 10.1107/S0108270102007503 | 0.71073 | MoKα | 0.035 | 0.03 | null | null | 0.068 | 0.07 | null | null | null | null | null | 0.997 | null | null | has coordinates,has Fobs | Breydo, Leonid; Barnes, Charles L.; Gates, Kent S.
Two (<i>E</i>,<i>E</i>)- and (<i>Z</i>,<i>E</i>)-thiazol-5-ylpenta-2,4-dienones
Acta Crystallographica Section C
58(8)
(2002)
o447-o449 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012869.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,870 | 6.859 | 0.0018 | 9.273 | 0.002 | 7.925 | 0.002 | 90 | null | 114.082 | 0.005 | 90 | null | 460.2 | 0.2 | 100 | 1 | 100 | 1 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | catena-diaqua-dichloro-(μ-1,4-dioxane-O,O')-iron(II) | - C4 H12 Cl2 Fe O4 - | - C4 H12 Cl2 Fe O4 - | - C8 H24 Cl4 Fe2 O8 - | 2 | 0.5 | FR1377 | Speer Jr, Richard L.; Pinkerton, A. Alan | <i>catena</i>-Poly[[diaquadichloroiron(II)]-μ-1,4-dioxane-κ^2^<i>O</i>:<i>O</i>'] | Acta Crystallographica Section C | 2,002 | 58 | 8 | m441 | m442 | 10.1107/S0108270102010508 | 0.71073 | MoKα | 0.0381 | 0.0348 | null | null | 0.0908 | 0.0935 | null | null | null | null | null | 1.049 | null | null | has coordinates,has Fobs | Speer Jr, Richard L.; Pinkerton, A. Alan
<i>catena</i>-Poly[[diaquadichloroiron(II)]-μ-1,4-dioxane-κ^2^<i>O</i>:<i>O</i>']
Acta Crystallographica Section C
58(8)
(2002)
m441-m442 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012870.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,871 | 15.153 | 0.006 | 9.386 | 0.003 | 17.122 | 0.006 | 90 | null | 93.629 | 0.014 | 90 | null | 2,430.3 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | (±)-2,3,4,4a,5,6,7,8-Octahydro-2-oxonaphthalene-1-acetic acid monohydrate | - C12 H18 O4 - | - C12 H18 O4 - | - C96 H144 O32 - | 8 | 2 | FR1380 | Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W. | (±)-(2,3,4,4a,5,6,7,8-Octahydro-2-oxonaphthalen-1-yl)acetic acid: hydrogen-bonding pattern of the monohydrate of an unsaturated bicyclic γ-keto acid | Acta Crystallographica Section C | 2,002 | 58 | 8 | o491 | o493 | 10.1107/S0108270102011526 | 0.71073 | MoKα | 0.12 | 0.055 | null | null | 0.113 | 0.14 | null | null | null | null | null | 1.01 | null | null | has coordinates,has Fobs | Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.
(±)-(2,3,4,4a,5,6,7,8-Octahydro-2-oxonaphthalen-1-yl)acetic acid: hydrogen-bonding pattern of the monohydrate of an unsaturated bicyclic γ-keto acid
Acta Crystallographica Section C
58(8)
(2002)
o491-o493 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012871.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,872 | 11.78 | 0.002 | 6.906 | 0.001 | 18.823 | 0.004 | 90 | null | 103.88 | 0.03 | 90 | null | 1,486.6 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 9-(Trichloroacetylimino)acridine monohydrate | - C15 H11 Cl3 N2 O2 - | - C15 H11 Cl3 N2 O2 - | - C60 H44 Cl12 N8 O8 - | 4 | 1 | GD1205 | Joanna Meszko; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski | 9-(Trichloroacetylimino)acridine monohydrate | Acta Crystallographica Section C | 2,002 | 58 | 8 | o460 | o462 | 10.1107/S0108270102010399 | 0.71073 | MoKα | 0.1903 | 0.0512 | null | null | 0.1463 | 0.1941 | null | null | null | null | null | 1.029 | null | null | has coordinates,has Fobs | Joanna Meszko; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski
9-(Trichloroacetylimino)acridine monohydrate
Acta Crystallographica Section C
58(8)
(2002)
o460-o462 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012872.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,873 | 11.341 | 0.002 | 20.965 | 0.004 | 12.334 | 0.002 | 90 | null | 117.8 | 0.03 | 90 | null | 2,594.1 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | melaminium phosphate hydrate | hexakis(2,4,6-triamino-1,3,5-triazin-1-ium) tetrakis(dihydrogenphosphate) monohydrogenphosphate tetrahydrate | - C18 H59 N36 O24 P5 - | - C18 H59 N36 O24 P5 - | - C36 H118 N72 O48 P10 - | 2 | 1 | GD1207 | Janczak, Jan; Perpétuo, Genivaldo Julio | Hexakis(melaminium) tetrakis(dihydrogenphosphate) monohydrogenphosphate tetrahydrate | Acta Crystallographica Section C | 2,002 | 58 | 8 | o455 | o459 | 10.1107/S0108270102010521 | 0.71073 | MoKα | 0.044 | 0.03 | null | null | 0.062 | 0.067 | null | null | null | null | null | 1.003 | null | null | has coordinates,has Fobs | Janczak, Jan; Perpétuo, Genivaldo Julio
Hexakis(melaminium) tetrakis(dihydrogenphosphate) monohydrogenphosphate tetrahydrate
Acta Crystallographica Section C
58(8)
(2002)
o455-o459 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012873.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,874 | 17.929 | 0.0012 | 17.929 | 0.0012 | 5.2196 | 0.0005 | 90 | null | 90 | null | 90 | null | 1,677.8 | 0.2 | 105 | 2 | 293 | 2 | null | null | null | null | 4 | I 4 | I 4 | 79 | N-(L-2-aminobutyryl)-L-alanine | - C7 H14 N2 O3 - | - C7 H14 N2 O3 - | - C56 H112 N16 O24 - | 8 | 1 | GD1209 | Görbitz, Carl Henrik | <i>N</i>-(<small>L</small>-2-Aminobutyryl)-<small>L</small>-alanine and 2-(<small>L</small>-alanylamino)-<small>L</small>-butyric acid 0.33-hydrate | Acta Crystallographica Section C | 2,002 | 58 | 8 | o533 | o536 | 10.1107/S0108270102011691 | 0.71073 | MoKα | 0.081 | 0.079 | null | null | 0.179 | 0.18 | null | null | null | null | null | 1.267 | null | null | has coordinates,has disorder,has Fobs | Görbitz, Carl Henrik
<i>N</i>-(<small>L</small>-2-Aminobutyryl)-<small>L</small>-alanine and 2-(<small>L</small>-alanylamino)-<small>L</small>-butyric acid 0.33-hydrate
Acta Crystallographica Section C
58(8)
(2002)
o533-o536 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012874.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,875 | 15.4292 | 0.0005 | 5.4602 | 0.0002 | 18.132 | 0.0006 | 90 | null | 113.505 | 0.001 | 90 | null | 1,400.81 | 0.08 | 105 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 2-(L-alanylamino)-L-butyric acid | - C7 H14.66 N2 O3.33 - | - C7 H14.6667 N2 O3.33333 - | - C42 H88 N12 O20 - | 6 | 3 | GD1209 | Görbitz, Carl Henrik | <i>N</i>-(<small>L</small>-2-Aminobutyryl)-<small>L</small>-alanine and 2-(<small>L</small>-alanylamino)-<small>L</small>-butyric acid 0.33-hydrate | Acta Crystallographica Section C | 2,002 | 58 | 8 | o533 | o536 | 10.1107/S0108270102011691 | 0.71073 | MoKα | 0.057 | 0.037 | null | null | 0.071 | 0.074 | null | null | null | null | null | 0.944 | null | null | has coordinates,has Fobs | Görbitz, Carl Henrik
<i>N</i>-(<small>L</small>-2-Aminobutyryl)-<small>L</small>-alanine and 2-(<small>L</small>-alanylamino)-<small>L</small>-butyric acid 0.33-hydrate
Acta Crystallographica Section C
58(8)
(2002)
o533-o536 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012875.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,876 | 17.555 | 0.002 | 11.708 | 0.002 | 16.696 | 0.008 | 90 | null | 92.43 | 0.03 | 90 | null | 3,428.5 | 1.8 | 293 | null | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Trimethorprim formate | 2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium formate | - C15 H20 N4 O5 - | - C15 H20 N4 O5 - | - C120 H160 N32 O40 - | 8 | 1 | GD1211 | Umadevi, Balakrishnan; Prabakaran, Ponraj; Muthiah, Packianathan Thomas | A pseudo-quadruple hydrogen-bonding motif consisting of six N—H···O hydrogen bonds in trimethoprim formate | Acta Crystallographica Section C | 2,002 | 58 | 8 | o510 | o512 | 10.1107/S0108270102011150 | 1.54178 | CuKα | 0.065 | 0.061 | null | null | 0.161 | 0.166 | null | null | null | null | null | 1.074 | null | null | has coordinates,has Fobs | Umadevi, Balakrishnan; Prabakaran, Ponraj; Muthiah, Packianathan Thomas
A pseudo-quadruple hydrogen-bonding motif consisting of six N—H···O hydrogen bonds in trimethoprim formate
Acta Crystallographica Section C
58(8)
(2002)
o510-o512 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012876.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,877 | 27.277 | 0.005 | 6.439 | 0.001 | 19.675 | 0.004 | 90 | null | 94.06 | 0.03 | 90 | null | 3,447 | 1.1 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Bis{[diphenyl(piperidinomethyl)silyl]methyl}cadmium | - C38 H48 Cd N2 Si2 - | - C38 H48 Cd N2 Si2 - | - C152 H192 Cd4 N8 Si8 - | 4 | 0.5 | GD1214 | Strohmann, Carsten; Schildbach, Daniel | Bis{[diphenyl(piperidinomethyl)silyl]methyl}cadmium and -magnesium | Acta Crystallographica Section C | 2,002 | 58 | 8 | m447 | m449 | 10.1107/S0108270102011307 | 0.71073 | MoKα | 0.043 | 0.039 | null | null | 0.1 | 0.103 | null | null | null | null | null | 1.043 | null | null | has coordinates,has Fobs | Strohmann, Carsten; Schildbach, Daniel
Bis{[diphenyl(piperidinomethyl)silyl]methyl}cadmium and -magnesium
Acta Crystallographica Section C
58(8)
(2002)
m447-m449 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012877.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,878 | 27.215 | 0.005 | 6.41 | 0.001 | 19.576 | 0.004 | 90 | null | 93.38 | 0.03 | 90 | null | 3,409.1 | 1.1 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Bis{[diphenyl(piperidinomethyl)silyl]methyl}magnesium | - C38 H48 Mg N2 Si2 - | - C38 H48 Mg N2 Si2 - | - C152 H192 Mg4 N8 Si8 - | 4 | 0.5 | GD1214 | Strohmann, Carsten; Schildbach, Daniel | Bis{[diphenyl(piperidinomethyl)silyl]methyl}cadmium and -magnesium | Acta Crystallographica Section C | 2,002 | 58 | 8 | m447 | m449 | 10.1107/S0108270102011307 | 0.71073 | MoKα | 0.058 | 0.044 | null | null | 0.109 | 0.115 | null | null | null | null | null | 0.997 | null | null | has coordinates,has Fobs | Strohmann, Carsten; Schildbach, Daniel
Bis{[diphenyl(piperidinomethyl)silyl]methyl}cadmium and -magnesium
Acta Crystallographica Section C
58(8)
(2002)
m447-m449 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012878.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,879 | 8.6089 | 0.0001 | 13.205 | 0.0002 | 13.9083 | 0.0002 | 90 | null | 90 | null | 90 | null | 1,581.1 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | epoxy dodecane | (1S,3R,8S,9S,10R)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]- 9,10-epoxydodecane | - C16 H24 Cl2 O - | - C16 H24 Cl2 O - | - C64 H96 Cl8 O4 - | 4 | 1 | GG1115 | Sbai, F.; Dakir, M.; Auhmani, A.; El Jamili, H.; Akssira, M.; Benharref, A.; Kenz, A.; Pierrot, M. | (1<i>S</i>,3<i>R</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-9,10-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane and (1<i>S</i>,3<i>R</i>,8<i>S</i>,10<i>R</i>)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one | Acta Crystallographica Section C | 2,002 | 58 | 8 | o518 | o520 | 10.1107/S0108270102012283 | 0.71073 | MoKα | 0.059 | 0.042 | null | null | 0.133 | 0.166 | null | null | null | null | null | 1.198 | null | null | has coordinates,has Fobs | Sbai, F.; Dakir, M.; Auhmani, A.; El Jamili, H.; Akssira, M.; Benharref, A.; Kenz, A.; Pierrot, M.
(1<i>S</i>,3<i>R</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-9,10-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane and (1<i>S</i>,3<i>R</i>,8<i>S</i>,10<i>R</i>)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.... | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012879.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,880 | 8.9545 | 0.0004 | 10.6231 | 0.0006 | 9.0858 | 0.0006 | 90 | null | 109.497 | 0.004 | 90 | null | 814.72 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | dodec-9-one | (1S,3R,8S,10R)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec- 9-one | - C16 H24 Cl2 O - | - C16 H24 Cl2 O - | - C32 H48 Cl4 O2 - | 2 | 1 | GG1115 | Sbai, F.; Dakir, M.; Auhmani, A.; El Jamili, H.; Akssira, M.; Benharref, A.; Kenz, A.; Pierrot, M. | (1<i>S</i>,3<i>R</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-9,10-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane and (1<i>S</i>,3<i>R</i>,8<i>S</i>,10<i>R</i>)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one | Acta Crystallographica Section C | 2,002 | 58 | 8 | o518 | o520 | 10.1107/S0108270102012283 | 0.71073 | MoKα | 0.06 | 0.051 | null | null | 0.152 | 0.164 | null | null | null | null | null | 1.234 | null | null | has coordinates,has Fobs | Sbai, F.; Dakir, M.; Auhmani, A.; El Jamili, H.; Akssira, M.; Benharref, A.; Kenz, A.; Pierrot, M.
(1<i>S</i>,3<i>R</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-9,10-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane and (1<i>S</i>,3<i>R</i>,8<i>S</i>,10<i>R</i>)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.... | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012880.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,881 | 11.4923 | 0.0006 | 7.9061 | 0.0004 | 14.3117 | 0.0007 | 90 | null | 94.335 | 0.001 | 90 | null | 1,296.63 | 0.11 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 2-Nitrophenyl 4-nitrophenyl disulfide | - C12 H8 N2 O4 S2 - | - C12 H8 N2 O4 S2 - | - C48 H32 N8 O16 S8 - | 4 | 1 | GG1120 | Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. | 2-Nitrophenyl 4-nitrophenyl disulfide | Acta Crystallographica Section C | 2,002 | 58 | 8 | o485 | o486 | 10.1107/S0108270102011344 | 0.71073 | MoKα | 0.068 | 0.039 | null | null | 0.094 | 0.105 | null | null | null | null | null | 0.933 | null | null | has coordinates,has Fobs | Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
2-Nitrophenyl 4-nitrophenyl disulfide
Acta Crystallographica Section C
58(8)
(2002)
o485-o486 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012881.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,882 | 11.4056 | 0.0003 | 8.7364 | 0.0003 | 12.8357 | 0.0005 | 90 | null | 109.005 | 0.0012 | 90 | null | 1,209.28 | 0.07 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 2-iodo-N-(3-Nitrobenzyl)aniline | - C13 H11 I N2 O2 - | - C13 H11 I N2 O2 - | - C52 H44 I4 N8 O8 - | 4 | 1 | GG1122 | Glidewell, Christopher; Low, John N.; Skakle, Janet M, S.; Wardell, Solange M. S. V.; Wardell, James L. | 2-Iodo-<i>N</i>-(3-nitrobenzyl)aniline and 3-iodo-<i>N</i>-(3-nitrobenzyl)aniline exhibit entirely different patterns of supramolecular aggregation | Acta Crystallographica Section C | 2,002 | 58 | 8 | o487 | o490 | 10.1107/S010827010201140X | 0.71073 | MoKα | 0.035 | 0.026 | null | null | 0.05 | 0.053 | null | null | null | null | null | 1.058 | null | null | has coordinates,has Fobs | Glidewell, Christopher; Low, John N.; Skakle, Janet M, S.; Wardell, Solange M. S. V.; Wardell, James L.
2-Iodo-<i>N</i>-(3-nitrobenzyl)aniline and 3-iodo-<i>N</i>-(3-nitrobenzyl)aniline exhibit entirely different patterns of supramolecular aggregation
Acta Crystallographica Section C
58(8)
(2002)
o487-o490 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012882.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,883 | 7.9024 | 0.0005 | 28.7265 | 0.0015 | 11.3019 | 0.0006 | 90 | null | 90 | null | 90 | null | 2,565.6 | 0.3 | 120 | 2 | 120 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | 3-iodo-N-(3-Nitrobenzyl)aniline | - C13 H11 I N2 O2 - | - C13 H11 I N2 O2 - | - C104 H88 I8 N16 O16 - | 8 | 1 | GG1122 | Glidewell, Christopher; Low, John N.; Skakle, Janet M, S.; Wardell, Solange M. S. V.; Wardell, James L. | 2-Iodo-<i>N</i>-(3-nitrobenzyl)aniline and 3-iodo-<i>N</i>-(3-nitrobenzyl)aniline exhibit entirely different patterns of supramolecular aggregation | Acta Crystallographica Section C | 2,002 | 58 | 8 | o487 | o490 | 10.1107/S010827010201140X | 0.71073 | MoKα | 0.032 | 0.023 | null | null | 0.069 | 0.083 | null | null | null | null | null | 1.211 | null | null | has coordinates,has Fobs | Glidewell, Christopher; Low, John N.; Skakle, Janet M, S.; Wardell, Solange M. S. V.; Wardell, James L.
2-Iodo-<i>N</i>-(3-nitrobenzyl)aniline and 3-iodo-<i>N</i>-(3-nitrobenzyl)aniline exhibit entirely different patterns of supramolecular aggregation
Acta Crystallographica Section C
58(8)
(2002)
o487-o490 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012883.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,884 | 20.5882 | 0.0014 | 6.4413 | 0.0006 | 11.7354 | 0.0006 | 90 | null | 91.004 | 0.005 | 90 | null | 1,556 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2 1 | C 2y | 5 | 3-Hydroxymethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline hydrobromide methanol hemisolvate | - C16.5 H20 Br N O1.5 - | - C16.5 H18 Br N O1.5 - | - C66 H72 Br4 N4 O6 - | 4 | 1 | JZ1510 | Gzella, Andrzej; Brózda, Danuta; Koroniak, Lukasz; Rozwadowska, Maria D. | Two optically active isoquinoline derivatives | Acta Crystallographica Section C | 2,002 | 58 | 8 | o503 | o506 | 10.1107/S0108270102011915 | 1.54178 | CuKα | 0.0297 | 0.0275 | null | null | 0.079 | 0.0809 | null | null | null | null | null | 1.058 | null | null | has coordinates | Gzella, Andrzej; Brózda, Danuta; Koroniak, Lukasz; Rozwadowska, Maria D.
Two optically active isoquinoline derivatives
Acta Crystallographica Section C
58(8)
(2002)
o503-o506 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012884.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,885 | 11.097 | 0.002 | 11.742 | 0.002 | 21.829 | 0.004 | 90 | null | 90 | null | 90 | null | 2,844.3 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2-Formyl-3-hydroxymethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline | - C17 H17 N O2 - | - C17 H17 N O2 - | - C136 H136 N8 O16 - | 8 | 2 | JZ1510 | Gzella, Andrzej; Brózda, Danuta; Koroniak, Lukasz; Rozwadowska, Maria D. | Two optically active isoquinoline derivatives | Acta Crystallographica Section C | 2,002 | 58 | 8 | o503 | o506 | 10.1107/S0108270102011915 | 1.54178 | CuKα | 0.0496 | 0.0334 | null | null | 0.0918 | 0.0992 | null | null | null | null | null | 1.045 | null | null | has coordinates,has disorder | Gzella, Andrzej; Brózda, Danuta; Koroniak, Lukasz; Rozwadowska, Maria D.
Two optically active isoquinoline derivatives
Acta Crystallographica Section C
58(8)
(2002)
o503-o506 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012885.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,886 | 11.177 | 0.0014 | 12.0378 | 0.0018 | 12.7533 | 0.0009 | 90 | null | 90 | null | 90 | null | 1,715.9 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | (-)-sparteine zinc(II) dibromide | dibromo[(-)-sparteine-N,N']zinc(II) | - C15 H26 Br2 N2 Zn - | - C15 H26 Br2 N2 Zn - | - C60 H104 Br8 N8 Zn4 - | 4 | 1 | LN1140 | Lee, Yong-Min; Kang, Sung Kwon; Kim, Young-Inn; Choi, Sung-Nak | Dibromo[(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']zinc(II) | Acta Crystallographica Section C | 2,002 | 58 | 8 | m453 | m454 | 10.1107/S0108270102011988 | 0.71073 | MoKα | 0.0961 | 0.0526 | null | null | 0.0919 | 0.1043 | null | null | null | null | null | 1.033 | null | null | has coordinates,has Fobs | Lee, Yong-Min; Kang, Sung Kwon; Kim, Young-Inn; Choi, Sung-Nak
Dibromo[(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']zinc(II)
Acta Crystallographica Section C
58(8)
(2002)
m453-m454 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012886.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,887 | 8.52 | 0.002 | 12.095 | 0.002 | 22.323 | 0.005 | 90 | null | 90 | null | 90 | null | 2,300.4 | 0.8 | 95 | 2 | 95 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | tert-Butyl (3S,6R,9R)-(5-oxo-3-{N-[1(R)-phenylethyl]carbamoyl}- 1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)carbamate monohydrate | - C22 H33 N3 O5 - | - C22 H33 N3 O5 - | - C88 H132 N12 O20 - | 4 | 1 | LN1142 | Soave, Raffaella; Destro, Riccardo | <i>tert</i>-Butyl (3<i>S</i>,6<i>R</i>,9<i>R</i>)-(5-oxo-3-{[1(<i>R</i>)-phenylethyl]carbamoyl}-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)carbamate monohydrate at 95K | Acta Crystallographica Section C | 2,002 | 58 | 8 | o507 | o509 | 10.1107/S0108270102011538 | 0.71073 | MoKα | 0.0489 | 0.0477 | null | null | 0.1081 | 0.1087 | null | null | null | null | null | 1.151 | null | null | has coordinates,has Fobs | Soave, Raffaella; Destro, Riccardo
<i>tert</i>-Butyl (3<i>S</i>,6<i>R</i>,9<i>R</i>)-(5-oxo-3-{[1(<i>R</i>)-phenylethyl]carbamoyl}-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)carbamate monohydrate at 95K
Acta Crystallographica Section C
58(8)
(2002)
o507-o509 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012887.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,888 | 16.608 | 0.002 | 8.357 | 0.001 | 19.647 | 0.005 | 90 | null | 93.3 | 0.01 | 90 | null | 2,722.3 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | Diethyl {3-[β-(2,4-dichlorophenyl)vinyl]-N-phenylsulfonyl-indol-2-ylmethyl}phosphonate | - C27 H26 Cl2 N O5 P S - | - C27 H26 Cl2 N O5 P S - | - C108 H104 Cl8 N4 O20 P4 S4 - | 4 | 1 | NA1565 | Sethu Sankar, K.; Kannadasan, S.; Velmurugan, D.; Srinivasan, P. C.; Moon, Jib-Kim | Diethyl {3-[β-(2,4-dichlorophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate and diethyl {3-[β-(4-bromophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate | Acta Crystallographica Section C | 2,002 | 58 | 8 | o450 | o454 | 10.1107/S0108270102009587 | 0.71069 | MoKα | 0.11 | 0.059 | null | null | 0.15 | 0.181 | null | null | null | null | null | 1.011 | null | null | has coordinates,has Fobs | Sethu Sankar, K.; Kannadasan, S.; Velmurugan, D.; Srinivasan, P. C.; Moon, Jib-Kim
Diethyl {3-[β-(2,4-dichlorophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate and diethyl {3-[β-(4-bromophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate
Acta Crystallographica Section C
58(8)
(2002)
o4... | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012888.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,889 | 16.837 | 0.001 | 8.323 | 0.001 | 19.611 | 0.001 | 90 | null | 104.11 | 0.01 | 90 | null | 2,665.3 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | Diethyl {3-[β-(4-bromophenyl)vinyl]-N-phenylsulfonyl-indol-2-ylmethyl}phosphonate | - C27 H27 Br N O5 P S - | - C27 H27 Br N O5 P S - | - C108 H108 Br4 N4 O20 P4 S4 - | 4 | 1 | NA1565 | Sethu Sankar, K.; Kannadasan, S.; Velmurugan, D.; Srinivasan, P. C.; Moon, Jib-Kim | Diethyl {3-[β-(2,4-dichlorophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate and diethyl {3-[β-(4-bromophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate | Acta Crystallographica Section C | 2,002 | 58 | 8 | o450 | o454 | 10.1107/S0108270102009587 | 0.71073 | MoKα | 0.136 | 0.05 | null | null | 0.118 | 0.144 | null | null | null | null | null | 1.005 | null | null | has coordinates,has Fobs | Sethu Sankar, K.; Kannadasan, S.; Velmurugan, D.; Srinivasan, P. C.; Moon, Jib-Kim
Diethyl {3-[β-(2,4-dichlorophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate and diethyl {3-[β-(4-bromophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate
Acta Crystallographica Section C
58(8)
(2002)
o4... | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012889.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,890 | 7.306 | 0.001 | 15.247 | 0.003 | 13.014 | 0.002 | 90 | null | 91.1 | 0.03 | 90 | null | 1,449.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | VB-2 | Methyl 3-deoxy-2-S-methylmercurio-2-thio-β-D-manno-2-octulosonate-(2,6) | - C10 H18 Hg O7 S - | - C10 H16 Hg O7 S - | - C40 H64 Hg4 O28 S4 - | 4 | 2 | OB1066 | Belakhov, Valery; Botoshansky, Mark; Baasov, Timor | Methyl 2,3-dideoxy-2-<i>S</i>-methylmercurio-2-thio-β-<small>D</small>-<i>manno</i>-oct-2-ulopyranosonate-(2,6) | Acta Crystallographica Section C | 2,002 | 58 | 8 | m450 | m452 | 10.1107/S010827010201123X | 0.7107 | MoKα | 0.069 | 0.064 | null | null | 0.165 | 0.172 | null | null | null | null | null | 1.064 | null | null | has coordinates,has Fobs | Belakhov, Valery; Botoshansky, Mark; Baasov, Timor
Methyl 2,3-dideoxy-2-<i>S</i>-methylmercurio-2-thio-β-<small>D</small>-<i>manno</i>-oct-2-ulopyranosonate-(2,6)
Acta Crystallographica Section C
58(8)
(2002)
m450-m452 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012890.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,891 | 12.1194 | 0.0014 | 10.2869 | 0.0008 | 12.5048 | 0.0016 | 90 | null | 115.864 | 0.008 | 90 | null | 1,402.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2'-hydroxyl-4''-dimethylaminochalcone | - C17 H17 N O2 - | - C17 H17 N O2 - | - C68 H68 N4 O8 - | 4 | 1 | Liu, Zhiqiang; Fang, Qi; Yu, Wentao; Xue, Gang; Cao, Duxia; Jiang, Minhua | 2'-Hydroxyl-4''-dimethylaminochalcone | Acta Crystallographica, Section C | 2,002 | 58 | o445 | o446 | 10.1107/S0108270102010247 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Liu, Zhiqiang; Fang, Qi; Yu, Wentao; Xue, Gang; Cao, Duxia; Jiang, Minhua
2'-Hydroxyl-4''-dimethylaminochalcone
Acta Crystallographica, Section C
58
(2002)
o445-o446 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012891.cif $
#-------------------------------------------------------------------... | |||||||||||||
2,012,892 | 12.924 | 0.001 | 11.412 | 0.001 | 17.084 | 0.001 | 90 | null | 109.18 | 0.01 | 90 | null | 2,379.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | bis(1,10-phenanthroline-κ^2^N,N')(thiosulfato-κ^2^O:S)manganese(II) methanol solvate | - C25 H20 Mn N4 O4 S2 - | - C25 H16 Mn N4 O4 S2 - | - C100 H64 Mn4 N16 O16 S8 - | 4 | 1 | OB1070 | Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo | Bis(1,10-phenanthroline)(thiosulfato)manganese(II) methanol solvate and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline)manganese(II)]-μ-thiosulfato] | Acta Crystallographica Section C | 2,002 | 58 | 8 | m455 | m458 | 10.1107/S0108270102012404 | 0.71073 | MoKα | 0.058 | 0.044 | null | null | 0.119 | 0.125 | null | null | null | null | null | 1.001 | null | null | has coordinates | Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo
Bis(1,10-phenanthroline)(thiosulfato)manganese(II) methanol solvate and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline)manganese(II)]-μ-thiosulfato]
Acta Crystallographica Section C
58(8)
(2002)
m455-m458 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012892.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,893 | 15.38 | 0.0012 | 7.0779 | 0.0005 | 30.148 | 0.002 | 90 | null | 90 | null | 90 | null | 3,281.9 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | catena-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')manganese(II)]- μ-thiosulfato-κ^2^O:S] | - C14 H16 Mn N2 O5 S2 - | - C14 H16 Mn N2 O5 S2 - | - C112 H128 Mn8 N16 O40 S16 - | 8 | 1 | OB1070 | Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo | Bis(1,10-phenanthroline)(thiosulfato)manganese(II) methanol solvate and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline)manganese(II)]-μ-thiosulfato] | Acta Crystallographica Section C | 2,002 | 58 | 8 | m455 | m458 | 10.1107/S0108270102012404 | 0.71073 | MoKα | 0.077 | 0.041 | null | null | 0.078 | 0.087 | null | null | null | null | null | 0.853 | null | null | has coordinates | Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo
Bis(1,10-phenanthroline)(thiosulfato)manganese(II) methanol solvate and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline)manganese(II)]-μ-thiosulfato]
Acta Crystallographica Section C
58(8)
(2002)
m455-m458 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012893.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,894 | 9.812 | 0.002 | 11.141 | 0.001 | 11.443 | 0.002 | 82.47 | 0.01 | 77.56 | 0.01 | 89.46 | 0.01 | 1,210.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C13 H22 O3 - | - C13 H22 O3 - | - C52 H88 O12 - | 4 | 2 | Mondal, Swastik; Mukherjee, Monika; Roy, Arnab; Mukherjee, Debabrata; Helliwell, Madeleine | (1SR,2RS,5RS,6SR,8RS)-7,7-dimethyltricyclo[6.2.1.0^1,6^]undecane-2,5,6-triol: a supramolecular framework built from O-H...O hydrogen bonds | Acta Crystallographica, Section C | 2,002 | 58 | o474 | o476 | 10.1107/S0108270102010843 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mondal, Swastik; Mukherjee, Monika; Roy, Arnab; Mukherjee, Debabrata; Helliwell, Madeleine
(1SR,2RS,5RS,6SR,8RS)-7,7-dimethyltricyclo[6.2.1.0^1,6^]undecane-2,5,6-triol: a supramolecular framework built from O-H...O hydrogen bonds
Acta Crystallographica, Section C
58
(2002)
o474-o476 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012894.cif $
#-------------------------------------------------------------------... | ||||||||||||||
2,012,895 | 20.191 | 0.002 | 13.4041 | 0.0014 | 12.1408 | 0.0014 | 90 | null | 105.554 | 0.008 | 90 | null | 3,165.5 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Tetra-n-butylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III) | - C22 H36 N Ni S10 - | - C22 H36 N Ni S10 - | - C88 H144 N4 Ni4 S40 - | 4 | 0.5 | SK1555 | Liu, Guoqun; Xue, Gang; Yu, Wentao; Xu, Wen | Tetra-<i>n</i>-butylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III) | Acta Crystallographica Section C | 2,002 | 58 | 8 | m436 | m438 | 10.1107/S0108270102010764 | 0.71073 | MoKα | 0.095 | 0.059 | null | null | 0.14 | 0.157 | null | null | null | null | null | 1.12 | null | null | has coordinates,has disorder,has Fobs | Liu, Guoqun; Xue, Gang; Yu, Wentao; Xu, Wen
Tetra-<i>n</i>-butylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III)
Acta Crystallographica Section C
58(8)
(2002)
m436-m438 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012895.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,896 | 11.366 | 0.0002 | 14.4438 | 0.0002 | 17.6675 | 0.0002 | 78.148 | 0.001 | 87.016 | 0.001 | 75.485 | 0.001 | 2,748.01 | 0.07 | 120 | 2 | 293 | 2 | null | null | null | null | 8 | P 1 | P 1 | 1 | (5,10,15,20-Tetraphenylporphyrinato-κ^4^N)bis(L-valine-κN methyl ester)iron(III) trifluoromethylsulfonate dichloromethane solvate | - C58 H56 Cl2 F3 Fe N6 O7 S - | - C58 H56 Cl2 F3 Fe N6 O7 S - | - C116 H112 Cl4 F6 Fe2 N12 O14 S2 - | 2 | 2 | SK1557 | Kobeissi, Marwan; Toupet, Loic; Simonneaux, Gerard | (5,10,15,20-Tetraphenylporphyrinato-κ^4^<i>N</i>)bis(<small>L</small>-valine-κ<i>N</i> methyl ester)iron(III) trifluoromethylsulfonate dichloromethane solvate | Acta Crystallographica Section C | 2,002 | 58 | 8 | m443 | m444 | 10.1107/S0108270102011605 | 0.71069 | MoKα | 0.09 | 0.049 | null | null | 0.113 | 0.133 | null | null | null | null | null | 0.993 | null | null | has coordinates,has Fobs | Kobeissi, Marwan; Toupet, Loic; Simonneaux, Gerard
(5,10,15,20-Tetraphenylporphyrinato-κ^4^<i>N</i>)bis(<small>L</small>-valine-κ<i>N</i> methyl ester)iron(III) trifluoromethylsulfonate dichloromethane solvate
Acta Crystallographica Section C
58(8)
(2002)
m443-m444 | 211,332 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012896.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,897 | 9.7633 | 0.0004 | 10.9896 | 0.0004 | 16.621 | 0.0007 | 90 | null | 90 | null | 90 | null | 1,783.35 | 0.12 | 213 | 2 | 213 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino [2,3-d]oxazole | - C24 H17 N O3 - | - C24 H17 N O3 - | - C96 H68 N4 O12 - | 4 | 1 | SK1563 | Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua | 11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole and 9a-(10-hydroxyphenanthren-9-yl)-11,12a-diphenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole | Acta Crystallographica Section C | 2,002 | 58 | 8 | o477 | o479 | 10.1107/S0108270102011083 | 0.71073 | MoKα | 0.083 | 0.052 | null | null | 0.109 | 0.122 | null | null | null | null | null | 0.96 | null | null | has coordinates,has Fobs | Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua
11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole and 9a-(10-hydroxyphenanthren-9-yl)-11,12a-diphenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole
Acta C... | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012897.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,898 | 12.4812 | 0.0003 | 14.3317 | 0.0001 | 18.5727 | 0.0003 | 102.607 | 0.001 | 99.511 | 0.001 | 94.529 | 0.001 | 3,174.64 | 0.1 | 213 | 2 | 213 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 9a-(10-hydroxyphenanthren-9-yl)-11,12a-diphenyl- 9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-d]oxazole | - C43 H27 N O5 - | - C43 H27 N O5 - | - C172 H108 N4 O20 - | 4 | 2 | SK1563 | Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua | 11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole and 9a-(10-hydroxyphenanthren-9-yl)-11,12a-diphenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole | Acta Crystallographica Section C | 2,002 | 58 | 8 | o477 | o479 | 10.1107/S0108270102011083 | 0.71073 | MoKα | 0.207 | 0.073 | null | null | 0.154 | 0.194 | null | null | null | null | null | 0.748 | null | null | has coordinates,has Fobs | Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua
11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole and 9a-(10-hydroxyphenanthren-9-yl)-11,12a-diphenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole
Acta C... | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012898.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,899 | 14.7686 | 0.0003 | 14.7686 | 0.0003 | 13.1319 | 0.0003 | 90 | null | 90 | null | 90 | null | 2,864.22 | 0.11 | 160 | 1 | 160 | 1 | null | null | null | null | 5 | I 41/a :2 | -I 4ad | 88 | tetraphenylarsonium tetraiodothallate(III) | - C24 H20 As I4 Tl - | - C24 H20 As I4 Tl - | - C96 H80 As4 I16 Tl4 - | 4 | 0.25 | SK1564 | Linden, Anthony; James, Bruce D. | Tetraphenylarsonium tetraiodothallate(III) | Acta Crystallographica Section C | 2,002 | 58 | 8 | m439 | m440 | 10.1107/S0108270102010636 | 0.71073 | MoKα | 0.0416 | 0.0307 | null | null | 0.073 | 0.0776 | null | null | null | null | null | 1.064 | null | null | has coordinates,has Fobs | Linden, Anthony; James, Bruce D.
Tetraphenylarsonium tetraiodothallate(III)
Acta Crystallographica Section C
58(8)
(2002)
m439-m440 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/28/2012899.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,900 | 14.1042 | 0.0005 | 7.056 | 0.0003 | 16.4004 | 0.0007 | 90 | null | 90.113 | 0.0018 | 90 | null | 1,632.15 | 0.11 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 2/n 1 | -P 2yac | 13 | 1,4-diazoniabicyclo[2.2.2]octane-N-[(hydroxyphosphinato)methyl]iminiodiacetate -water (1/1/1.5 | - C11 H25 N3 O8.5 P - | - C11 H25 N3 O8.5 P - | - C44 H100 N12 O34 P4 - | 4 | 1 | SK1565 | Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Lough, Alan J. | Self-assembled hydrogen-bonded bilayers in 1,4-diazabicyclo[2.2.2]octane–<i>N</i>-(phosphonomethyl)iminodiacetic acid–water (1/1/1.5) | Acta Crystallographica Section C | 2,002 | 58 | 8 | o467 | o469 | 10.1107/S0108270102010648 | 0.71073 | MoKα | 0.055 | 0.038 | null | null | 0.088 | 0.096 | null | null | null | null | null | 1.031 | null | null | has coordinates,has Fobs | Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Lough, Alan J.
Self-assembled hydrogen-bonded bilayers in 1,4-diazabicyclo[2.2.2]octane–<i>N</i>-(phosphonomethyl)iminodiacetic acid–water (1/1/1.5)
Acta Crystallographica Section C
58(8)
(2002)
o467-o469 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012900.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,901 | 4.8066 | 0.0003 | 9.5179 | 0.0006 | 6.1346 | 0.0004 | 90 | null | 107.911 | 0.004 | 90 | null | 267.05 | 0.03 | 292 | 2 | 292 | 2 | null | null | null | null | 3 | P 1 21/m 1 | -P 2yb | 11 | 2-(hydroxymethyl)-1,2-propanediol | - C4 H10 O3 - | - C4 H10 O3 - | - C8 H20 O6 - | 2 | 0.5 | SK1567 | Fernandes, Christiane; Wardell, James L.; Skakle, Janet M. S. | Hydrogen bonding in 2-(hydroxymethyl)-1,3-propanediol and <i>N</i>,<i>N</i>'-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide | Acta Crystallographica Section C | 2,002 | 58 | 8 | o499 | o502 | 10.1107/S0108270102011800 | 0.71073 | MoKα | 0.0483 | 0.0361 | null | null | 0.0946 | 0.103 | null | null | null | null | null | 1.044 | null | null | has coordinates,has Fobs | Fernandes, Christiane; Wardell, James L.; Skakle, Janet M. S.
Hydrogen bonding in 2-(hydroxymethyl)-1,3-propanediol and <i>N</i>,<i>N</i>'-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide
Acta Crystallographica Section C
58(8)
(2002)
o499-o502 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012901.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,902 | 11.6928 | 0.0011 | 5.661 | 0.0005 | 21.0034 | 0.0019 | 90 | null | 92.7 | 0.002 | 90 | null | 1,388.7 | 0.2 | 292 | 2 | 292 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | N,N'-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide | - C11 H22 N2 O8 - | - C11 H22 N2 O8 - | - C44 H88 N8 O32 - | 4 | 0.5 | SK1567 | Fernandes, Christiane; Wardell, James L.; Skakle, Janet M. S. | Hydrogen bonding in 2-(hydroxymethyl)-1,3-propanediol and <i>N</i>,<i>N</i>'-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide | Acta Crystallographica Section C | 2,002 | 58 | 8 | o499 | o502 | 10.1107/S0108270102011800 | 0.71073 | MoKα | 0.0633 | 0.0481 | null | null | 0.1482 | 0.1874 | null | null | null | null | null | 1.055 | null | null | has coordinates,has Fobs | Fernandes, Christiane; Wardell, James L.; Skakle, Janet M. S.
Hydrogen bonding in 2-(hydroxymethyl)-1,3-propanediol and <i>N</i>,<i>N</i>'-bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide
Acta Crystallographica Section C
58(8)
(2002)
o499-o502 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012902.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,903 | 29.457 | 0.004 | 14.06 | 0.002 | 14.703 | 0.002 | 90 | null | 112.518 | 0.005 | 90 | null | 5,625.2 | 1.4 | 90 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C48 H72 Co2 N10 S8 - | - C48 H72 Co2 N10 S8 - | - C192 H288 Co8 N40 S32 - | 4 | 0.5 | TA1380 | Mochida, Tomoyuki; Takazawa, Kousuke; Matsushita, Michio M.; Sugawara, Tadashi | Bis(tetra-<i>n</i>-butylammonium) bis(μ-1,2-dicyanoethene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>')bis[(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cobalt(III)] | Acta Crystallographica Section C | 2,002 | 58 | 8 | m431 | m433 | 10.1107/S0108270102010430 | 0.7107 | MoKα | null | 0.045 | null | null | null | 0.067 | null | null | null | null | null | 1.437 | null | null | has coordinates,has Fobs | Mochida, Tomoyuki; Takazawa, Kousuke; Matsushita, Michio M.; Sugawara, Tadashi
Bis(tetra-<i>n</i>-butylammonium) bis(μ-1,2-dicyanoethene-1,2-dithiolato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>')bis[(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cobalt(III)]
Acta Crystallographica Section C
58(8)
(2002)
m431-m433 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012903.cif $
#-------------------------------------------------------------------... | |||||||||||
2,012,904 | 7.9459 | 0.0013 | 7.9698 | 0.0012 | 20.111 | 0.003 | 80.527 | 0.003 | 84.183 | 0.003 | 67.291 | 0.003 | 1,157.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C22 H20 Co N10 S2 - | - C22 H20 Co N10 S2 - | - C44 H40 Co2 N20 S4 - | 2 | 1 | TR1029 | Cai, Chen-Xin; Tian, Yun-Qi; Li, Yi-Zhi; You, Xiao-Zeng | The mononuclear cobalt(II) complex Co^II^(DMBDIZ)~2~(NCS)~2~, where DMBDIZ is 2,6-dimethylbenzo[1,2-<i>d</i>:4,5-<i>d</i>']diimidazole | Acta Crystallographica Section C | 2,002 | 58 | 8 | m459 | m460 | 10.1107/S0108270102011423 | 0.71073 | MoKα | 0.0826 | 0.0558 | null | null | 0.1165 | 0.1273 | null | null | null | null | null | 1.008 | null | null | has coordinates,has Fobs | Cai, Chen-Xin; Tian, Yun-Qi; Li, Yi-Zhi; You, Xiao-Zeng
The mononuclear cobalt(II) complex Co^II^(DMBDIZ)~2~(NCS)~2~, where DMBDIZ is 2,6-dimethylbenzo[1,2-<i>d</i>:4,5-<i>d</i>']diimidazole
Acta Crystallographica Section C
58(8)
(2002)
m459-m460 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012904.cif $
#-------------------------------------------------------------------... | |||||||||||
2,012,905 | 8.9874 | 0.0002 | 11.163 | 0.0002 | 13.1879 | 0.0003 | 99.1532 | 0.0008 | 95.0138 | 0.0009 | 95.729 | 0.002 | 1,292.52 | 0.05 | 120 | 2 | 120 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Bis(2-pyridylmethanol)bis(saccharinato)zinc(II) | - C26 H22 N4 O8 S2 Zn - | - C26 H22 N4 O8 S2 Zn - | - C52 H44 N8 O16 S4 Zn2 - | 2 | 1 | TR1032 | Yilmaz, Veysel T.; Guney, Serkan; Andac, Omer; Harrison, William T. A. | Bis(2-pyridylmethanol)bis(saccharinato)zinc(II) and -cadmium(II) at 120K: three-dimensional structures containing both <i>N</i>-and <i>O</i>-coordinated ambidentate saccharinate ligands | Acta Crystallographica Section C | 2,002 | 58 | 8 | m427 | m430 | 10.1107/S0108270102010491 | 0.71073 | MoKα | 0.0441 | 0.0336 | null | null | 0.0762 | 0.0805 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Yilmaz, Veysel T.; Guney, Serkan; Andac, Omer; Harrison, William T. A.
Bis(2-pyridylmethanol)bis(saccharinato)zinc(II) and -cadmium(II) at 120K: three-dimensional structures containing both <i>N</i>-and <i>O</i>-coordinated ambidentate saccharinate ligands
Acta Crystallographica Section C
58(8)
(2002)
m427-m430 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012905.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,906 | 8.7516 | 0.0001 | 11.4547 | 0.0001 | 13.5442 | 0.0002 | 99.8079 | 0.0006 | 96.5191 | 0.0005 | 95.1327 | 0.0005 | 1,321.03 | 0.03 | 120 | 2 | 120 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Bis(2-pyridylmethanol)bis(saccharinato)cadmium(II) | - C26 H22 Cd N4 O8 S2 - | - C26 H22 Cd N4 O8 S2 - | - C52 H44 Cd2 N8 O16 S4 - | 2 | 1 | TR1032 | Yilmaz, Veysel T.; Guney, Serkan; Andac, Omer; Harrison, William T. A. | Bis(2-pyridylmethanol)bis(saccharinato)zinc(II) and -cadmium(II) at 120K: three-dimensional structures containing both <i>N</i>-and <i>O</i>-coordinated ambidentate saccharinate ligands | Acta Crystallographica Section C | 2,002 | 58 | 8 | m427 | m430 | 10.1107/S0108270102010491 | 0.71073 | MoKα | 0.0308 | 0.0274 | null | null | 0.0648 | 0.0664 | null | null | null | null | null | 1.055 | null | null | has coordinates,has Fobs | Yilmaz, Veysel T.; Guney, Serkan; Andac, Omer; Harrison, William T. A.
Bis(2-pyridylmethanol)bis(saccharinato)zinc(II) and -cadmium(II) at 120K: three-dimensional structures containing both <i>N</i>-and <i>O</i>-coordinated ambidentate saccharinate ligands
Acta Crystallographica Section C
58(8)
(2002)
m427-m430 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012906.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,907 | 7.9749 | 0.0002 | 8.0952 | 0.0003 | 8.1395 | 0.0003 | 69.3082 | 0.0018 | 66.657 | 0.002 | 67.3547 | 0.0015 | 432.59 | 0.03 | 120 | 2 | 120 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2,6-Diiodo-4-nitrophenol | - C6 H3 I2 N O3 - | - C6 H3 I2 N O3 - | - C12 H6 I4 N2 O6 - | 2 | 1 | TR1033 | Garden, Simon J.; da Cunha, Fernanda R.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher | 2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo–nitro interactions and aromatic π–π-stacking interactions to give supramolecular structures in one, two and three dimensions | Acta Crystallographica Section C | 2,002 | 58 | 8 | o463 | o466 | 10.1107/S0108270102010776 | 0.71073 | MoKα | 0.035 | 0.032 | null | null | 0.096 | 0.115 | null | null | null | null | null | 1.169 | null | null | has coordinates,has Fobs | Garden, Simon J.; da Cunha, Fernanda R.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher
2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo–nitro interactions and aromatic π–π-stacking interactions to give supramolecul... | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012907.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,908 | 8.0608 | 0.0009 | 12.4501 | 0.0014 | 11.679 | 0.0013 | 90 | null | 90 | null | 90 | null | 1,172.1 | 0.2 | 292 | 2 | 292 | 2 | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | 2,6-Diiodo-4-nitrophenyl acetate | - C8 H5 I2 N O4 - | - C8 H5 I2 N O4 - | - C32 H20 I8 N4 O16 - | 4 | 0.5 | TR1033 | Garden, Simon J.; da Cunha, Fernanda R.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher | 2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo‒nitro interactions and aromatic π‒π-stacking interactions to give supramolecular structures in one, two and three dimensions | Acta Crystallographica Section C | 2,002 | 58 | 8 | o463 | o466 | 10.1107/S0108270102010776 | 0.71073 | MoKα | 0.057 | 0.041 | null | null | 0.103 | 0.112 | null | null | null | null | null | 1.043 | null | null | has coordinates,has Fobs | Garden, Simon J.; da Cunha, Fernanda R.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher
2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo‒nitro interactions and aromatic π‒π-stacking interactions to give supramolecul... | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012908.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,909 | 15.2372 | 0.0003 | 16.2672 | 0.0004 | 8.3262 | 0.0002 | 90 | null | 99.2039 | 0.0015 | 90 | null | 2,037.22 | 0.08 | 120 | 2 | 120 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 2,6-Diiodo-4-nitroanisole | - C7 H5 I2 N O3 - | - C7 H5 I2 N O3 - | - C56 H40 I16 N8 O24 - | 8 | 1 | TR1033 | Garden, Simon J.; da Cunha, Fernanda R.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher | 2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo–nitro interactions and aromatic π–π-stacking interactions to give supramolecular structures in one, two and three dimensions | Acta Crystallographica Section C | 2,002 | 58 | 8 | o463 | o466 | 10.1107/S0108270102010776 | 0.71073 | MoKα | 0.038 | 0.033 | null | null | 0.074 | 0.077 | null | null | null | null | null | 1.065 | null | null | has coordinates,has Fobs | Garden, Simon J.; da Cunha, Fernanda R.; Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher
2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo–nitro interactions and aromatic π–π-stacking interactions to give supramolecul... | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012909.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,910 | 8.5183 | 0.0006 | 10.2278 | 0.0008 | 11.3272 | 0.0009 | 66.635 | 0.001 | 71.387 | 0.001 | 82.976 | 0.001 | 858.54 | 0.11 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | meso-5,7,7,12,14,14-hexamethyl-4,11-diaza-1,8-diazoniacyclotetradecane bis(3-carboxy-5-nitrobenzoate) | - C32 H46 N6 O12 - | - C32 H46 N6 O12 - | - C32 H46 N6 O12 - | 1 | 0.5 | TR1034 | MacLean, Elizabeth J.; Teat, Simon J.; Farrell, Dorcas M. M.; Ferguson, George; Glidewell, Christopher | The salt-type 1:2 adduct of <i>meso</i>-5,5,7,12,12,14-hexa-<i>C</i>-methyl-1,4,8,11-tetraazacyclotetradecane (tet-a) and 5-nitroisophthalic acid forms a hydrogen-bonded sheet structure containing two configurational isomers of [(tet-a)H~2~]^2+^ | Acta Crystallographica Section C | 2,002 | 58 | 8 | o470 | o473 | 10.1107/S0108270102010958 | 0.6867 | synchrotron | 0.069 | 0.062 | null | null | 0.16 | 0.165 | null | null | null | null | null | 1.13 | null | null | has coordinates,has disorder,has Fobs | MacLean, Elizabeth J.; Teat, Simon J.; Farrell, Dorcas M. M.; Ferguson, George; Glidewell, Christopher
The salt-type 1:2 adduct of <i>meso</i>-5,5,7,12,12,14-hexa-<i>C</i>-methyl-1,4,8,11-tetraazacyclotetradecane (tet-a) and 5-nitroisophthalic acid forms a hydrogen-bonded sheet structure containing two configurational ... | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012910.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,911 | 9.15 | 0.001 | 9.491 | 0.001 | 16.839 | 0.002 | 83.01 | 0.01 | 85.26 | 0.01 | 76.39 | 0.01 | 1,408.5 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | pyrazolo[3,4-d]pyrimidine | 1,1'-(1,3-propanediyl)bis(5-benzyl-6-methylthio-4,5-dihydro-1H-pyrazolo [3,4-d]pyrimidine-4-one) | - C29 H28 N8 O2 S2 - | - C29 H28 N8 O2 S2 - | - C58 H56 N16 O4 S4 - | 2 | 1 | VJ1169 | Avasthi, Kamlakar; Tewari, Ashish; Rawat, Diwan S.; Sharon, Ashoke; Maulik, Prakas R. | A stacked pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible molecule: the effect of a bulky benzyl group on intermolecular stacking in comparison with methyl and ethyl groups | Acta Crystallographica Section C | 2,002 | 58 | 8 | o494 | o495 | 10.1107/S0108270102012039 | 0.71073 | MoKα | 0.083 | 0.047 | null | null | 0.103 | 0.121 | null | null | null | null | null | 1.009 | null | null | has coordinates,has Fobs | Avasthi, Kamlakar; Tewari, Ashish; Rawat, Diwan S.; Sharon, Ashoke; Maulik, Prakas R.
A stacked pyrazolo[3,4-<i>d</i>]pyrimidine-based flexible molecule: the effect of a bulky benzyl group on intermolecular stacking in comparison with methyl and ethyl groups
Acta Crystallographica Section C
58(8)
(2002)
o494-o495 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012911.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,912 | 15.368 | 0.003 | 6.22 | 0.0012 | 23.142 | 0.005 | 90 | null | 90.44 | 0.03 | 90 | null | 2,212.1 | 0.8 | 295 | null | 295 | null | null | null | null | null | 3 | I 1 2/a 1 | -I 2ya | 15 | 1,4-Bis[(1-methyl-1-phenylethyl)peroxymethyl]benzene | - C26 H30 O4 - | - C26 H30 O4 - | - C104 H120 O16 - | 4 | 0.5 | AV1111 | Kuźnik, Nikodem; Zawadiak, Jan; Gilner, Danuta; Wiȩckol, Angelika; Wagner, Paweł; Kubicki, Maciej | 1,4-Bis[(1-methyl-1-phenylethyl)peroxymethyl]benzene | Acta Crystallographica Section C | 2,002 | 58 | 9 | o549 | o550 | 10.1107/S0108270102012945 | 0.71073 | MoKα | 0.098 | 0.033 | null | null | 0.08 | 0.092 | null | null | null | null | null | 1.005 | null | null | has coordinates,has Fobs | Kuźnik, Nikodem; Zawadiak, Jan; Gilner, Danuta; Wiȩckol, Angelika; Wagner, Paweł; Kubicki, Maciej
1,4-Bis[(1-methyl-1-phenylethyl)peroxymethyl]benzene
Acta Crystallographica Section C
58(9)
(2002)
o549-o550 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012912.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,913 | 10.3406 | 0.0015 | 10.3406 | 0.0015 | 20.402 | 0.003 | 90 | null | 90 | null | 90 | null | 2,181.5 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | I 41/a c d :2 | -I 4bd 2c | 142 | hexaaquacobalt(II) hypophosphite | hexaaquacobalt(II) bis(hypophosphite) | - Co H16 O10 P2 - | - Co H16 O10 P2 - | - Co8 H128 O80 P16 - | 8 | 0.25 | AV1112 | Kuratieva, Natalia V.; Naumova, Marina I.; Naumov, Dmitry Yu. | Hexaaquacobalt(II) bis(hypophosphite) and hexaaquacobalt(II)/nickel(II) bis(hypophosphite) | Acta Crystallographica Section C | 2,002 | 58 | 9 | i129 | i131 | 10.1107/S0108270102013094 | 0.71073 | MoKα | 0.054 | 0.037 | null | null | 0.084 | 0.093 | null | null | null | null | null | 0.918 | null | null | has coordinates,has Fobs | Kuratieva, Natalia V.; Naumova, Marina I.; Naumov, Dmitry Yu.
Hexaaquacobalt(II) bis(hypophosphite) and hexaaquacobalt(II)/nickel(II) bis(hypophosphite)
Acta Crystallographica Section C
58(9)
(2002)
i129-i131 | 301,798 | 2025-08-19 | 6:41:52 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012913.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,914 | 10.3111 | 0.0013 | 10.3111 | 0.0013 | 20.346 | 0.003 | 90 | null | 90 | null | 90 | null | 2,163.2 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | I 41/a c d :2 | -I 4bd 2c | 142 | hexaaquacobalt(II)/nickel(II) hypophosphite | hexaaquacobalt(II)/nickel(II) (0.5/0.5) bis(hypophosphite) | - Co0.5 H16 Ni0.5 O10 P2 - | - Co0.5 H16 Ni0.5 O10 P2 - | - Co4 H128 Ni4 O80 P16 - | 8 | 0.25 | AV1112 | Kuratieva, Natalia V.; Naumova, Marina I.; Naumov, Dmitry Yu. | Hexaaquacobalt(II) bis(hypophosphite) and hexaaquacobalt(II)/nickel(II) bis(hypophosphite) | Acta Crystallographica Section C | 2,002 | 58 | 9 | i129 | i131 | 10.1107/S0108270102013094 | 0.71073 | MoKα | 0.033 | 0.021 | null | null | 0.067 | 0.073 | null | null | null | null | null | 1.064 | null | null | has coordinates,has Fobs | Kuratieva, Natalia V.; Naumova, Marina I.; Naumov, Dmitry Yu.
Hexaaquacobalt(II) bis(hypophosphite) and hexaaquacobalt(II)/nickel(II) bis(hypophosphite)
Acta Crystallographica Section C
58(9)
(2002)
i129-i131 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012914.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,915 | 9.0193 | 0.0001 | 20.6107 | 0.0002 | 13.6609 | 0.0003 | 90 | null | 104.372 | 0.001 | 90 | null | 2,460.01 | 0.07 | 153 | 2 | 153 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C24 H16 N6 O12 - | - C24 H16 N6 O12 - | - C96 H64 N24 O48 - | 4 | 1 | AV1113 | Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Bo-Long Poh; Chatchanok Karalai | The ternary complex 4-(2-pyridyl)pyridinium–3,5-dinitrobenzoate–3,5-dinitrobenzoic acid (1/1/1) | Acta Crystallographica Section C | 2,002 | 58 | 9 | o589 | o590 | 10.1107/S0108270102013100 | 0.71073 | MoKα | 0.0748 | 0.0592 | null | null | 0.1369 | 0.1443 | null | null | null | null | null | 0.978 | null | null | has coordinates,has Fobs | Suchada Chantrapromma; Anwar Usman; Hoong-Kun Fun; Bo-Long Poh; Chatchanok Karalai
The ternary complex 4-(2-pyridyl)pyridinium–3,5-dinitrobenzoate–3,5-dinitrobenzoic acid (1/1/1)
Acta Crystallographica Section C
58(9)
(2002)
o589-o590 | 301,798 | 2025-08-19 | 6:41:53 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012915.cif $
#-------------------------------------------------------------------... | |||||||||||
2,012,916 | 10.7999 | 0.0001 | 9.2851 | 0.0001 | 18.7949 | 0.0003 | 90 | null | 90 | null | 90 | null | 1,884.72 | 0.04 | 213 | 2 | 213 | 2 | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | 11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10:5,6][1,4]dioxino [2,3-d]thiazole | - C24 H17 N O2 S - | - C24 H17 N O2 S - | - C96 H68 N4 O8 S4 - | 4 | 1 | AV1114 | Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu | 11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10:5,6][1,4]dioxino[2,3-<i>d</i>]thiazole | Acta Crystallographica Section C | 2,002 | 58 | 9 | o543 | o544 | 10.1107/S0108270102013112 | 0.71073 | MoKα | 0.0606 | 0.0494 | null | null | 0.1146 | 0.1301 | null | null | null | null | null | 0.996 | null | null | has coordinates,has Fobs | Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu
11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10:5,6][1,4]dioxino[2,3-<i>d</i>]thiazole
Acta Crystallographica Section C
58(9)
(2002)
o543-o544 | 301,798 | 2025-08-19 | 6:42:11 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012916.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,917 | 6.387 | 0.0003 | 11.615 | 0.0008 | 6.884 | 0.0003 | 90 | null | 105.1 | 0.003 | 90 | null | 493.06 | 0.05 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | potassium vanadium tellurite | - K O5 Te V - | - K O5 Te V - | - K4 O20 Te4 V4 - | 4 | 1 | BR1380 | Rozier, Patrick; Vendier, Laure; Galy, Jean | KVTeO~5~ and a redetermination of the Na homologue | Acta Crystallographica Section C | 2,002 | 58 | 9 | i111 | i113 | 10.1107/S0108270102011708 | 0.71073 | MoKα | 0.047 | 0.033 | null | 0.068 | null | 0.063 | null | null | 1.04 | null | null | 1.084 | null | null | has coordinates,has Fobs | Rozier, Patrick; Vendier, Laure; Galy, Jean
KVTeO~5~ and a redetermination of the Na homologue
Acta Crystallographica Section C
58(9)
(2002)
i111-i113 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012917.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,918 | 5.884 | 0.0002 | 11.376 | 0.0003 | 6.819 | 0.0002 | 90 | null | 103.068 | 0.0017 | 90 | null | 444.62 | 0.02 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | sodium vanadium tellurite | - Na O5 Te V - | - Na O5 Te V - | - Na4 O20 Te4 V4 - | 4 | 1 | BR1380 | Rozier, Patrick; Vendier, Laure; Galy, Jean | KVTeO~5~ and a redetermination of the Na homologue | Acta Crystallographica Section C | 2,002 | 58 | 9 | i111 | i113 | 10.1107/S0108270102011708 | 0.71073 | MoKα | 0.019 | 0.018 | null | 0.044 | null | 0.043 | null | null | 1.074 | null | null | 1.079 | null | null | has coordinates,has Fobs | Rozier, Patrick; Vendier, Laure; Galy, Jean
KVTeO~5~ and a redetermination of the Na homologue
Acta Crystallographica Section C
58(9)
(2002)
i111-i113 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012918.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,919 | 3.838 | 0.0006 | 3.838 | 0.0006 | 29.145 | 0.007 | 90 | null | 90 | null | 90 | null | 429.31 | 0.14 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | I 4/m m m | -I 4 2 | 139 | - Ba0.87 Ca0.64 Cu2 Hg0.79 O7.56 Sr1.49 Tl1.21 - | - Ba0.87 Ca0.64 Cu2 Hg0.79 O7.56 Sr1.49 Tl1.21 - | - Ba1.74 Ca1.28 Cu4 Hg1.58 O15.12 Sr2.98 Tl2.42 - | 2 | 0.0625 | BR1382 | Valldor, Martin; Bryntse, Ingrid; Morawski, Andrzej | The superconductor (Tl,Hg,Ca)~2~(Ba,Sr)~2~(Ca,Sr,Tl)Cu~2~O~7.6~ | Acta Crystallographica Section C | 2,002 | 58 | 9 | i126 | i128 | 10.1107/S0108270102013148 | 0.71073 | MoKα | 0.0292 | 0.0204 | null | null | 0.0202 | 0.0208 | null | null | null | 2.29 | 2.29 | 2.41 | null | null | has coordinates,has Fobs | Valldor, Martin; Bryntse, Ingrid; Morawski, Andrzej
The superconductor (Tl,Hg,Ca)~2~(Ba,Sr)~2~(Ca,Sr,Tl)Cu~2~O~7.6~
Acta Crystallographica Section C
58(9)
(2002)
i126-i128 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012919.cif $
#-------------------------------------------------------------------... | |||||||||||
2,012,920 | 9.3072 | 0.0005 | 28.7064 | 0.0014 | 9.6152 | 0.0003 | 90 | null | 93.401 | 0.001 | 90 | null | 2,564.4 | 0.2 | 293 | 2 | null | null | null | null | null | null | 5 | C 1 c 1 | C -2yc | 9 | - H6 Na10 O29 S6 U - | - H6 Na10 O29 S6 U - | - H24 Na40 O116 S24 U4 - | 4 | 1 | BR1383 | Burns, Peter C.; Hayden, Leslie A. | A uranyl sulfate cluster in Na~10~[(UO~2~)(SO~4~)~4~](SO~4~)~2~·3H~2~O | Acta Crystallographica Section C | 2,002 | 58 | 9 | i121 | i123 | 10.1107/S0108270102011812 | 0.71073 | MoKα | null | 0.019 | null | null | null | 0.052 | null | null | null | null | null | 1.048 | null | null | has coordinates,has Fobs | Burns, Peter C.; Hayden, Leslie A.
A uranyl sulfate cluster in Na~10~[(UO~2~)(SO~4~)~4~](SO~4~)~2~·3H~2~O
Acta Crystallographica Section C
58(9)
(2002)
i121-i123 | 189,249 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-12-19 19:45:31 +0200 (Mon, 19 Dec 2016) $
#$Revision: 189249 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012920.cif $
#-------------------------------------------------------------------... | |||||||||||
2,012,921 | 12.1856 | 0.0005 | 4.3869 | 0.0002 | 11.8687 | 0.0005 | 90 | null | 90 | null | 90 | null | 634.47 | 0.05 | 153 | 2 | 153 | 2 | null | null | null | null | 2 | P n m a | -P 2ac 2n | 62 | Dineodymium tritelluride | - Nd2 Te3 - | - Nd2 Te3 - | - Nd8 Te12 - | 4 | 0.5 | BR1384 | Ijjaali, Ismail; Ibers, James A. | Dineodymium tritelluride, Nd~2~Te~3~ | Acta Crystallographica Section C | 2,002 | 58 | 9 | i124 | i125 | 10.1107/S0108270102012635 | 0.71073 | MoKα | 0.02 | 0.02 | null | null | 0.046 | 0.046 | null | null | null | null | null | 1.407 | null | null | has coordinates,has Fobs | Ijjaali, Ismail; Ibers, James A.
Dineodymium tritelluride, Nd~2~Te~3~
Acta Crystallographica Section C
58(9)
(2002)
i124-i125 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012921.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,922 | 7.5493 | 0.0001 | 8.9297 | 0.0002 | 10.5701 | 0.0002 | 78.045 | 0.001 | 82.912 | 0.001 | 82.828 | 0.001 | 688.15 | 0.02 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | caesium tetrasilver dizinc thioyanate | caesium tetrasilver dizinc nonathiocyanate | - C9 Ag4 Cs N9 S9 Zn2 - | - C9 Ag4 Cs N9 S9 Zn2 - | - C9 Ag4 Cs N9 S9 Zn2 - | 1 | 0.5 | BR1385 | Günes̨, Minna; Valkonen, Jussi | Cs[Ag~4~Zn~2~(SCN)~9~] | Acta Crystallographica Section C | 2,002 | 58 | 9 | i119 | i120 | 10.1107/S0108270102013136 | 0.71073 | MoKα | null | 0.049 | null | null | null | 0.114 | null | null | null | null | null | 1.039 | null | null | has coordinates,has Fobs | Günes̨, Minna; Valkonen, Jussi
Cs[Ag~4~Zn~2~(SCN)~9~]
Acta Crystallographica Section C
58(9)
(2002)
i119-i120 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012922.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,923 | 9.9826 | 0.0001 | 9.504 | 0.0002 | 25.079 | 0.001 | 90 | null | 90.667 | 0.005 | 90 | null | 2,379.2 | 0.11 | 293 | null | 293 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Ethyl 5-[2-(2-aminophenylimino)-2-phenylethylidene]- 4-(4-chlorophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate | - C25 H21 Cl N4 O2 S - | - C25 H21 Cl N4 O2 S - | - C100 H84 Cl4 N16 O8 S4 - | 4 | 1 | DN1014 | El Hazazi, S.; Baouid, A.; Hasnaoui, A.; Pierrot, M. | Ethyl 5-[2-(2-aminophénylimino)-2-phényléthylidène]-4-(4-chlorophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate et éthyl 5-{2-[2-(méthylamino)phénylimino]-2-phényléthylidène}-4-(4-nitrophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate | Acta Crystallographica Section C | 2,002 | 58 | 9 | o585 | o588 | 10.1107/S0108270102012647 | 0.71073 | MoKα | 0.049 | 0.042 | null | null | 0.123 | 0.145 | null | null | null | null | null | 1.228 | null | null | has coordinates,has Fobs | El Hazazi, S.; Baouid, A.; Hasnaoui, A.; Pierrot, M.
Ethyl 5-[2-(2-aminophénylimino)-2-phényléthylidène]-4-(4-chlorophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate et éthyl 5-{2-[2-(méthylamino)phénylimino]-2-phényléthylidène}-4-(4-nitrophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
Acta Crystallographica Sect... | 301,798 | 2025-08-19 | 6:42:12 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012923.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,924 | 9.7619 | 0.0002 | 10.7465 | 0.0003 | 12.1924 | 0.0002 | 87.137 | 0.002 | 83.151 | 0.002 | 75.469 | 0.001 | 1,229.04 | 0.05 | 293 | null | 293 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | Ethyl 5-{2-[2-(methylamino)phenylimino]-2-phenylethylidene}- 4-(4-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate | - C26 H23 N5 O4 S - | - C26 H23 N5 O4 S - | - C52 H46 N10 O8 S2 - | 2 | 1 | DN1014 | El Hazazi, S.; Baouid, A.; Hasnaoui, A.; Pierrot, M. | Ethyl 5-[2-(2-aminophénylimino)-2-phényléthylidène]-4-(4-chlorophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate et éthyl 5-{2-[2-(méthylamino)phénylimino]-2-phényléthylidène}-4-(4-nitrophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate | Acta Crystallographica Section C | 2,002 | 58 | 9 | o585 | o588 | 10.1107/S0108270102012647 | 0.71073 | MoKα | 0.058 | 0.043 | null | null | 0.134 | 0.163 | null | null | null | null | null | 1.172 | null | null | has coordinates,has Fobs | El Hazazi, S.; Baouid, A.; Hasnaoui, A.; Pierrot, M.
Ethyl 5-[2-(2-aminophénylimino)-2-phényléthylidène]-4-(4-chlorophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate et éthyl 5-{2-[2-(méthylamino)phénylimino]-2-phényléthylidène}-4-(4-nitrophényl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
Acta Crystallographica Sect... | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012924.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,925 | 8.2337 | 0.0001 | 30.7435 | 0.0003 | 30.3142 | 0.0002 | 90 | null | 93.27 | 0.001 | 90 | null | 7,661.02 | 0.13 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Chlorotris(2,4,6-trimethylphenyl)tin(IV) | - C27 H33 Cl Sn - | - C27 H33 Cl Sn - | - C324 H396 Cl12 Sn12 - | 12 | 3 | FG1654 | Geller, Jordan; Wharf, Ivor; Bélanger-Gariépy, Francine; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R. | Chlorotris(2,4,6-trimethylphenyl)tin(IV) and its ethanol hemisolvate | Acta Crystallographica Section C | 2,002 | 58 | 9 | m466 | m468 | 10.1107/S0108270102012362 | 1.54178 | CuKα | 0.08 | 0.049 | null | 0.111 | null | 0.101 | null | null | 0.939 | null | null | 1.053 | null | null | has coordinates,has Fobs | Geller, Jordan; Wharf, Ivor; Bélanger-Gariépy, Francine; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R.
Chlorotris(2,4,6-trimethylphenyl)tin(IV) and its ethanol hemisolvate
Acta Crystallographica Section C
58(9)
(2002)
m466-m468 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012925.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,926 | 8.2564 | 0.0001 | 16.8363 | 0.0001 | 19.5759 | 0.0001 | 94.996 | 0.001 | 96.568 | 0.001 | 90.539 | 0.001 | 2,692.55 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Trimesityl tin chloride ethanol hemisolvate | Chlorotris(2,4,6-trimethylphenyl)tin(IV) ethanol hemisolvate | - C28 H36 Cl O0.5 Sn - | - C28 H36 Cl O0.5 Sn - | - C112 H144 Cl4 O2 Sn4 - | 4 | 2 | FG1654 | Geller, Jordan; Wharf, Ivor; Bélanger-Gariépy, Francine; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R. | Chlorotris(2,4,6-trimethylphenyl)tin(IV) and its ethanol hemisolvate | Acta Crystallographica Section C | 2,002 | 58 | 9 | m466 | m468 | 10.1107/S0108270102012362 | 1.54178 | CuKα | 0.07 | 0.046 | null | null | 0.107 | 0.115 | null | null | null | null | null | 0.944 | null | null | has coordinates,has disorder,has Fobs | Geller, Jordan; Wharf, Ivor; Bélanger-Gariépy, Francine; Lebuis, Anne-Marie; Butler, Ian S.; Gilson, Denis F. R.
Chlorotris(2,4,6-trimethylphenyl)tin(IV) and its ethanol hemisolvate
Acta Crystallographica Section C
58(9)
(2002)
m466-m468 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012926.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,927 | 8.735 | 0.002 | 9.526 | 0.002 | 10.605 | 0.003 | 90 | null | 91 | 0.02 | 90 | null | 882.3 | 0.4 | 293 | 2 | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | benzyl 2-hydroxo-3,4-di-O-acetyl-β-D-fucopyranoside | - C17 H22 O7 - | - C17 H22 O7 - | - C34 H44 O14 - | 2 | 1 | FG1655 | Brito-Arias, Marco; Durán-Páramo, Enrique; Mata, Ignasi; Molins, Elies | A comparative analysis of mono- and disaccharide benzyl fucopyranosides | Acta Crystallographica Section C | 2,002 | 58 | 9 | o537 | o539 | 10.1107/S0108270102012556 | 0.71073 | MoKα | null | 0.04 | null | null | null | 0.13 | null | null | null | null | null | 1.085 | null | null | has coordinates,has Fobs | Brito-Arias, Marco; Durán-Páramo, Enrique; Mata, Ignasi; Molins, Elies
A comparative analysis of mono- and disaccharide benzyl fucopyranosides
Acta Crystallographica Section C
58(9)
(2002)
o537-o539 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012927.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,928 | 8.901 | 0.001 | 14.261 | 0.001 | 25.583 | 0.001 | 90 | null | 90 | null | 90 | null | 3,247.4 | 0.4 | 293 | 2 | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | O-(2,3-di-O-acetyl-4,6-O-benzylidene-β-D-glucopyranosyl)- (1→ 2)-3,4-O-isopropylidene-β-D-fucopyranoside | - C33 H40 O12 - | - C33 H40 O12 - | - C132 H160 O48 - | 4 | 1 | FG1655 | Brito-Arias, Marco; Durán-Páramo, Enrique; Mata, Ignasi; Molins, Elies | A comparative analysis of mono- and disaccharide benzyl fucopyranosides | Acta Crystallographica Section C | 2,002 | 58 | 9 | o537 | o539 | 10.1107/S0108270102012556 | 0.71073 | MoKα | null | 0.041 | null | null | null | 0.138 | null | null | null | null | null | 0.89 | null | null | has coordinates | Brito-Arias, Marco; Durán-Páramo, Enrique; Mata, Ignasi; Molins, Elies
A comparative analysis of mono- and disaccharide benzyl fucopyranosides
Acta Crystallographica Section C
58(9)
(2002)
o537-o539 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012928.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,929 | 7.2391 | 0.0014 | 17.2093 | 0.0011 | 12.3461 | 0.001 | 90 | null | 98.066 | 0.01 | 90 | null | 1,522.9 | 0.3 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2-Methyl-1-phenylsulfanyl-1,2-dicarba-closo-dodecaborane(12) | 2-Methyl-1-phenylsulfanyl-1,2-dicarba-closo-dodecaborane(12) | - C9 H18 B10 S - | - C9 H18 B10 S - | - C36 H72 B40 S4 - | 4 | 1 | FR1379 | Kivekäs, Raikko; Flores, Miquel Angles; Viñas, Clara; Sillanpää, Reijo | 2-Methyl-1-phenylsulfanyl-1,2-dicarba-<i>closo</i>-dodecaborane(12) | Acta Crystallographica Section C | 2,002 | 58 | 9 | o570 | o571 | 10.1107/S0108270102012982 | 0.71069 | MoKα | 0.104 | 0.05 | null | null | 0.116 | 0.135 | null | null | null | null | null | 1.026 | null | null | has coordinates,has Fobs | Kivekäs, Raikko; Flores, Miquel Angles; Viñas, Clara; Sillanpää, Reijo
2-Methyl-1-phenylsulfanyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)
Acta Crystallographica Section C
58(9)
(2002)
o570-o571 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012929.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,930 | 12.058 | 0.002 | 7.054 | 0.001 | 24.398 | 0.005 | 90 | null | 90 | null | 90 | null | 2,075.2 | 0.6 | 90 | 0.2 | 90 | 0.1 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 1-(4-aminophenyl)-2-phenyldiazene 2-oxide | - C12 H11 N3 O - | - C12 H11 N3 O - | - C96 H88 N24 O8 - | 8 | 1 | GD1210 | Ejsmont, Krzysztof; Broda, Małgorzata; Domański, Andrzej; Kyzioł, Janusz B.; Zaleski, Jacek | Orthorhombic polymorphs of two <i>trans</i>-4-aminoazoxybenzenes | Acta Crystallographica Section C | 2,002 | 58 | 9 | o545 | o548 | 10.1107/S0108270102011952 | 0.71073 | MoKα | 0.058 | 0.042 | null | null | 0.104 | 0.112 | null | null | null | null | null | 1.112 | null | null | has coordinates,has Fobs | Ejsmont, Krzysztof; Broda, Małgorzata; Domański, Andrzej; Kyzioł, Janusz B.; Zaleski, Jacek
Orthorhombic polymorphs of two <i>trans</i>-4-aminoazoxybenzenes
Acta Crystallographica Section C
58(9)
(2002)
o545-o548 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012930.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,931 | 17.779 | 0.004 | 5.535 | 0.001 | 10.652 | 0.002 | 90 | null | 90 | null | 90 | null | 1,048.2 | 0.4 | 90 | 0.2 | 90 | 0.1 | null | null | null | null | 4 | P c a 21 | P 2c -2ac | 29 | 2-(4-aminophenyl)-1-phenyldiazene 2-oxide | - C12 H11 N3 O - | - C12 H11 N3 O - | - C48 H44 N12 O4 - | 4 | 1 | GD1210 | Ejsmont, Krzysztof; Broda, Małgorzata; Domański, Andrzej; Kyzioł, Janusz B.; Zaleski, Jacek | Orthorhombic polymorphs of two <i>trans</i>-4-aminoazoxybenzenes | Acta Crystallographica Section C | 2,002 | 58 | 9 | o545 | o548 | 10.1107/S0108270102011952 | 0.71073 | MoKα | 0.035 | 0.031 | null | null | 0.065 | 0.067 | null | null | null | null | null | 1.056 | null | null | has coordinates,has Fobs | Ejsmont, Krzysztof; Broda, Małgorzata; Domański, Andrzej; Kyzioł, Janusz B.; Zaleski, Jacek
Orthorhombic polymorphs of two <i>trans</i>-4-aminoazoxybenzenes
Acta Crystallographica Section C
58(9)
(2002)
o545-o548 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012931.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,932 | 8.4545 | 0.0005 | 12.5846 | 0.0008 | 8.4726 | 0.0005 | 90 | null | 116.269 | 0.003 | 90 | null | 808.36 | 0.09 | 100 | 2 | 100 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 2,6-bis(hydroxymethyl)-4-methylphenol | - C9 H12 O3 - | - C9 H12 O3 - | - C36 H48 O12 - | 4 | 1 | GD1213 | Masci, Bernardo; Thuéry, Pierre | Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl | Acta Crystallographica Section C | 2,002 | 58 | 9 | o575 | o579 | 10.1107/S0108270102013239 | 0.71073 | MoKα | 0.0632 | 0.0433 | null | null | 0.1016 | 0.1109 | null | null | null | null | null | 1.033 | null | null | has coordinates,has Fobs | Masci, Bernardo; Thuéry, Pierre
Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl
Acta Crystallographica Section C
58(9)
(2002)
o575-o579 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012932.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,933 | 4.6556 | 0.0005 | 14.593 | 0.0015 | 12.4616 | 0.0009 | 90 | null | 96.658 | 0.004 | 90 | null | 840.92 | 0.14 | 100 | 2 | 100 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 2,6-bis(hydroxymethyl)-4-methoxyphenol | - C9 H12 O4 - | - C9 H12 O4 - | - C36 H48 O16 - | 4 | 1 | GD1213 | Masci, Bernardo; Thuéry, Pierre | Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl | Acta Crystallographica Section C | 2,002 | 58 | 9 | o575 | o579 | 10.1107/S0108270102013239 | 0.71073 | MoKα | 0.0612 | 0.0419 | null | null | 0.098 | 0.1087 | null | null | null | null | null | 1.035 | null | null | has coordinates,has Fobs | Masci, Bernardo; Thuéry, Pierre
Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl
Acta Crystallographica Section C
58(9)
(2002)
o575-o579 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012933.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,934 | 11.1451 | 0.0011 | 13.5515 | 0.0012 | 8.1935 | 0.0009 | 90 | null | 97.486 | 0.006 | 90 | null | 1,226.9 | 0.2 | 100 | 2 | 100 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 2,6-bis(hydroxymethyl)-4-phenoxyphenol | - C14 H14 O4 - | - C14 H14 O4 - | - C56 H56 O16 - | 4 | 1 | GD1213 | Masci, Bernardo; Thuéry, Pierre | Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl | Acta Crystallographica Section C | 2,002 | 58 | 9 | o575 | o579 | 10.1107/S0108270102013239 | 0.71073 | MoKα | 0.1376 | 0.0687 | null | null | 0.1398 | 0.1713 | null | null | null | null | null | 1.034 | null | null | has coordinates,has Fobs | Masci, Bernardo; Thuéry, Pierre
Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl
Acta Crystallographica Section C
58(9)
(2002)
o575-o579 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012934.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,935 | 7.0604 | 0.0004 | 16.4995 | 0.0011 | 25.6678 | 0.0017 | 90 | null | 90 | null | 90 | null | 2,990.1 | 0.3 | 100 | 2 | 100 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | 2,6-bis(hydroxymethyl)-4-[1-(4-methoxyphenyl)-1-methylethyl]phenol | - C18 H22 O4 - | - C18 H22 O4 - | - C144 H176 O32 - | 8 | 1 | GD1213 | Masci, Bernardo; Thuéry, Pierre | Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl | Acta Crystallographica Section C | 2,002 | 58 | 9 | o575 | o579 | 10.1107/S0108270102013239 | 0.71073 | MoKα | 0.0637 | 0.0447 | null | null | 0.1082 | 0.1191 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Masci, Bernardo; Thuéry, Pierre
Hydrogen-bonded assemblages in 2,6-bis(hydroxymethyl)-4-<i>R</i>-phenol, with <i>R</i>~= methyl, methoxy, phenoxy and 1-(4-methoxyphenyl)-1-methylethyl
Acta Crystallographica Section C
58(9)
(2002)
o575-o579 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012935.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,936 | 10.1338 | 0.0009 | 11.996 | 0.003 | 13.421 | 0.002 | 67.496 | 0.017 | 76.903 | 0.011 | 67.574 | 0.011 | 1,387.1 | 0.5 | 298 | 2 | 293 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 3,6-Bis(dimethylamino)-10-(10-iododecyl)acridinium iodide | - C27 H39 I2 N3 - | - C27 H39 I2 N3 - | - C54 H78 I4 N6 - | 2 | 1 | GD1217 | Puliti, Raffaella; Mattia, Carlo Andrea; Mazzarella, Lelio | 3,6-Bis(dimethylamino)-10-(10-iododecyl)acridinium iodide | Acta Crystallographica Section C | 2,002 | 58 | 9 | o582 | o584 | 10.1107/S0108270102013768 | 1.54178 | CuKα | 0.072 | 0.05 | null | null | 0.142 | 0.16 | null | null | null | null | null | 1.094 | null | null | has coordinates,has Fobs | Puliti, Raffaella; Mattia, Carlo Andrea; Mazzarella, Lelio
3,6-Bis(dimethylamino)-10-(10-iododecyl)acridinium iodide
Acta Crystallographica Section C
58(9)
(2002)
o582-o584 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012936.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,937 | 14.8727 | 0.0007 | 9.4421 | 0.0005 | 18.5973 | 0.0009 | 90 | null | 99.348 | 0.001 | 90 | null | 2,576.9 | 0.2 | 294 | 2 | 294 | 2 | null | null | null | null | 7 | P 1 2/n 1 | -P 2yac | 13 | Platinum(IV)tetra(p-methoxyphenyl)porphyrin dibromide | Dibromo[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ^4^N]platinum(IV) chloroform/acetonitrile solvate | - C50.034 H38.603 Br2 Cl2.688 N4.569 O4 Pt - | - C52.068 H41.206 Br2 Cl5.376 N5.138 O4 Pt - | - C104.136 H82.412 Br4 Cl10.752 N10.276 O8 Pt2 - | 2 | 0.5 | GD1222 | Tate, John R.; Kantardjieff, Katherine; Crundwell, Guy; Mink, Larry M. | Dibromo[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ^4^<i>N</i>]platinum(IV) chloroform acetonitrile solvate | Acta Crystallographica Section C | 2,002 | 58 | 9 | m485 | m486 | 10.1107/S0108270102013859 | 0.71073 | MoKα | 0.069 | 0.04 | null | null | 0.103 | 0.12 | null | null | null | null | null | 0.817 | null | null | has coordinates,has disorder,has Fobs | Tate, John R.; Kantardjieff, Katherine; Crundwell, Guy; Mink, Larry M.
Dibromo[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato-κ^4^<i>N</i>]platinum(IV) chloroform acetonitrile solvate
Acta Crystallographica Section C
58(9)
(2002)
m485-m486 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012937.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,938 | 7.2535 | 0.0008 | 10.3652 | 0.0012 | 10.5626 | 0.0012 | 99.262 | 0.002 | 94.862 | 0.002 | 105.844 | 0.002 | 747.05 | 0.15 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Tetrakis(μ-guanidinoacetic acid-κ^2^O:O')bis[(nitrato-κ^2^O)copper(II)] | - C12 H28 Cu2 N16 O20 - | - C12 H28 Cu2 N16 O20 - | - C12 H28 Cu2 N16 O20 - | 1 | 0.5 | GG1121 | Jussara Lopes de Miranda; Judith Felcman; James L. Wardell; Janet M. S. Skakle | Tetrakis(μ-guanidinoacetic acid-κ^2^<i>O</i>:<i>O</i>')bis[(nitrato-κ<i>O</i>)copper(II)] | Acta Crystallographica Section C | 2,002 | 58 | 9 | m471 | m474 | 10.1107/S0108270102013227 | 0.71073 | MoKα | 0.0535 | 0.0417 | null | null | 0.1102 | 0.115 | null | null | null | null | null | 1.032 | null | null | has coordinates,has Fobs | Jussara Lopes de Miranda; Judith Felcman; James L. Wardell; Janet M. S. Skakle
Tetrakis(μ-guanidinoacetic acid-κ^2^<i>O</i>:<i>O</i>')bis[(nitrato-κ<i>O</i>)copper(II)]
Acta Crystallographica Section C
58(9)
(2002)
m471-m474 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012938.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,939 | 6.836 | 0.0012 | 7.6404 | 0.0014 | 8.7765 | 0.0016 | 82.37 | 0.02 | 75.05 | 0.02 | 79.46 | 0.02 | 433.63 | 0.14 | 200 | 2 | 200 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | TEX | 4,10-Dinitro-2,6,8,12-tetraoxa-4,10-diazaisowurtzitane | - C6 H6 N4 O8 - | - C6 H6 N4 O8 - | - C12 H12 N8 O16 - | 2 | 1 | GG1130 | Karaghiosoff, Konstantin; Klapötke, Thomas M.; Michailovski, Alexej; Holl, Gerhard | 4,10-Dinitro-2,6,8,12-tetraoxa-4,10-diazaisowurtzitane (TEX): a nitramine with an exceptionally high density | Acta Crystallographica Section C | 2,002 | 58 | 9 | o580 | o581 | 10.1107/S0108270102014774 | 0.71073 | MoKα | 0.044 | 0.034 | null | null | 0.093 | 0.099 | null | null | null | null | null | 1.045 | null | null | has coordinates,has Fobs | Karaghiosoff, Konstantin; Klapötke, Thomas M.; Michailovski, Alexej; Holl, Gerhard
4,10-Dinitro-2,6,8,12-tetraoxa-4,10-diazaisowurtzitane (TEX): a nitramine with an exceptionally high density
Acta Crystallographica Section C
58(9)
(2002)
o580-o581 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012939.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,940 | 5.1865 | 0.0004 | 5.1865 | 0.0004 | 23.4881 | 0.0008 | 90 | null | 90 | null | 120 | null | 547.18 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | R -3 m :H | -R 3 2" | 166 | bis[lead(II) carbonate] barium difluoride | - C2 Ba F2 O6 Pb2 - | - C2 Ba F2 O6 Pb2 - | - C6 Ba3 F6 O18 Pb6 - | 3 | 0.083333 | IZ1024 | Weil, Matthias | The ordered hydrocerussite-type structure of (PbCO~3~)~2~·BaF~2~ | Acta Crystallographica Section C | 2,002 | 58 | 9 | i132 | i134 | 10.1107/S0108270102013884 | 0.71073 | MoKα | 0.02 | 0.02 | null | null | 0.044 | 0.044 | null | null | null | null | null | 1.336 | null | null | has coordinates,has Fobs | Weil, Matthias
The ordered hydrocerussite-type structure of (PbCO~3~)~2~·BaF~2~
Acta Crystallographica Section C
58(9)
(2002)
i132-i134 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012940.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,941 | 6.8195 | 0.0007 | 7.953 | 0.001 | 16.387 | 0.002 | 90 | null | 99.811 | 0.008 | 90 | null | 875.76 | 0.18 | 170 | 2 | 170 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | cadmium acetylenedicarboxylate tetrahydrate | catena-poly[[[triaquacadmium(II)]-μ-acetylenedicarboxylato-κ^4^O,O':O'',O'''] monohydrate] | - C4 H8 Cd O8 - | - C4 H8 Cd O8 - | - C16 H32 Cd4 O32 - | 4 | 1 | JZ1517 | Ruschewitz, Uwe; Pantenburg, Ingo | [Cd{C~2~(COO)~2~}(H~2~O)~3~]·H~2~O, the first cadmium salt of acetylenedicarboxylic acid | Acta Crystallographica Section C | 2,002 | 58 | 9 | m483 | m484 | 10.1107/S0108270102014658 | 0.71073 | MoKα | 0.028 | 0.02 | null | null | 0.047 | 0.048 | null | null | null | null | null | 1.083 | null | null | has coordinates,has Fobs | Ruschewitz, Uwe; Pantenburg, Ingo
[Cd{C~2~(COO)~2~}(H~2~O)~3~]·H~2~O, the first cadmium salt of acetylenedicarboxylic acid
Acta Crystallographica Section C
58(9)
(2002)
m483-m484 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012941.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,942 | 5.4778 | 0.0006 | 9.8774 | 0.001 | 20.409 | 0.0016 | 98.79 | 0.07 | 94.06 | 0.08 | 99.93 | 0.09 | 1,069.6 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Ethyl 4-dodecyl-3,5-dimethyl-1H-pyrrole-2-carboxylate | - C21 H37 N O2 - | - C21 H37 N O2 - | - C42 H74 N2 O4 - | 2 | 1 | LN1145 | Ramos Silva, Manuela; Matos Beja, Ana; Paixao, Jose Antonio; Sobral, Abilio J. F. N.; Lopes, Susana H.; Rocha Gonsalves, A. M. d'A. | Ethyl 4-dodecyl-3,5-dimethyl-1<i>H</i>-pyrrole-2-carboxylate: intermolecular interactions in an amphiphilic pyrrole | Acta Crystallographica Section C | 2,002 | 58 | 9 | o572 | o574 | 10.1107/S0108270102013653 | 1.5418 | CuKα | 0.0695 | 0.0474 | null | null | 0.143 | 0.1563 | null | null | null | null | null | 1.137 | null | null | has coordinates,has Fobs | Ramos Silva, Manuela; Matos Beja, Ana; Paixao, Jose Antonio; Sobral, Abilio J. F. N.; Lopes, Susana H.; Rocha Gonsalves, A. M. d'A.
Ethyl 4-dodecyl-3,5-dimethyl-1<i>H</i>-pyrrole-2-carboxylate: intermolecular interactions in an amphiphilic pyrrole
Acta Crystallographica Section C
58(9)
(2002)
o572-o574 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012942.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,943 | 13.672 | 0.0008 | 8.0201 | 0.0005 | 14.4687 | 0.0009 | 90 | null | 106.101 | 0.001 | 90 | null | 1,524.27 | 0.16 | 90 | 2 | 90 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | H2(Br4TPrPc) | 3,6,13,16-tetrabromo-2,7,12,17-tetrapropylporphycene | - C32 H34 Br4 N4 - | - C32 H34 Br4 N4 - | - C64 H68 Br8 N8 - | 2 | 0.5 | OB1071 | Aritome, Isao; Shimakoshi, Hisashi; Hisaeda, Yoshio | 3,6,13,16-Tetrabromo-2,7,12,17-tetrapropylporphycene | Acta Crystallographica Section C | 2,002 | 58 | 9 | o563 | o564 | 10.1107/S0108270102013483 | 0.71073 | MoKα | 0.036 | 0.031 | null | null | 0.079 | 0.082 | null | null | null | null | null | 1.072 | null | null | has coordinates,has Fobs | Aritome, Isao; Shimakoshi, Hisashi; Hisaeda, Yoshio
3,6,13,16-Tetrabromo-2,7,12,17-tetrapropylporphycene
Acta Crystallographica Section C
58(9)
(2002)
o563-o564 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012943.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,944 | 14.0187 | 0.0003 | 10.5729 | 0.0002 | 16.0212 | 0.0004 | 90 | null | 103.836 | 0.001 | 90 | null | 2,305.73 | 0.09 | 90 | 2 | 90 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Tetrakis(tetraethylammonium) cyclotetravanadate dihydrate | Tetrakis(tetraethylammonium) cyclo-tetra-μ-oxo-tetrakis[dioxovanadium(V)] dihydrate | - C32 H84 N4 O14 V4 - | - C32 H84 N4 O14 V4 - | - C64 H168 N8 O28 V8 - | 2 | 0.5 | OB1072 | Nakano, Hiroyuki; Ozeki, Tomoji; Yagasaki, Atsushi | (Et~4~N)~4~[V~4~O~12~]·2H~2~O | Acta Crystallographica Section C | 2,002 | 58 | 9 | m464 | m465 | 10.1107/S0108270102013008 | 0.71073 | MoKα | 0.125 | 0.058 | null | null | 0.12 | 0.141 | null | null | null | null | null | 0.915 | null | null | has coordinates,has Fobs | Nakano, Hiroyuki; Ozeki, Tomoji; Yagasaki, Atsushi
(Et~4~N)~4~[V~4~O~12~]·2H~2~O
Acta Crystallographica Section C
58(9)
(2002)
m464-m465 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012944.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,945 | 22.02 | 0.004 | 6.223 | 0.004 | 21.225 | 0.003 | 90 | null | 91.61 | 0.01 | 90 | null | 2,907 | 2 | 296.2 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C24 H30 Ca O20 - | - C24 H30 Ca O20 - | - C96 H120 Ca4 O80 - | 4 | 0.5 | OB1075 | Odoko, Mamiko; Yamamoto, Kyouta; Okabe, Nobuo | Bis(5-hydroxy-2-hydroxymethyl-4-pyrone-κ^2^<i>O</i>^4^,<i>O</i>^5^)bis(2-hydroxymethyl-5-oxido-4-pyrone-κ^2^<i>O</i>^4^,<i>O</i>^5^)calcium(II) tetrahydrate | Acta Crystallographica Section C | 2,002 | 58 | 9 | m469 | m470 | 10.1107/S0108270102013537 | 0.7107 | MoKα | null | 0.0476 | null | null | null | 0.1516 | null | null | null | null | null | 0.999 | null | null | has coordinates,has Fobs | Odoko, Mamiko; Yamamoto, Kyouta; Okabe, Nobuo
Bis(5-hydroxy-2-hydroxymethyl-4-pyrone-κ^2^<i>O</i>^4^,<i>O</i>^5^)bis(2-hydroxymethyl-5-oxido-4-pyrone-κ^2^<i>O</i>^4^,<i>O</i>^5^)calcium(II) tetrahydrate
Acta Crystallographica Section C
58(9)
(2002)
m469-m470 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012945.cif $
#-------------------------------------------------------------------... | |||||||||||
2,012,946 | 12.748 | 0.002 | 7.476 | 0.003 | 16.657 | 0.002 | 90 | null | 90.68 | 0.01 | 90 | null | 1,587.4 | 0.7 | 296.2 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 8-Hydroxyquinaldinic acid | 8-hydroxyquinolinium-2-carboxylate | - C10 H7 N O3 - | - C10 H7 N O3 - | - C80 H56 N8 O24 - | 8 | 1 | OB1077 | Okabe, Nobuo; Muranishi, Yasunori | 8-Hydroxyquinaldinic acid and its nickel(II) complex | Acta Crystallographica Section C | 2,002 | 58 | 9 | m475 | m477 | 10.1107/S0108270102013628 | 0.7107 | MoKα | null | 0.053 | null | null | null | 0.197 | null | null | null | null | null | 0.87 | null | null | has coordinates,has Fobs | Okabe, Nobuo; Muranishi, Yasunori
8-Hydroxyquinaldinic acid and its nickel(II) complex
Acta Crystallographica Section C
58(9)
(2002)
m475-m477 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012946.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,947 | 9.237 | 0.001 | 15.865 | 0.003 | 7.2 | 0.001 | 97.63 | 0.01 | 106.95 | 0.01 | 101.9 | 0.01 | 966.4 | 0.3 | 296.2 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | bis(8-hydroxyquinoline-2-carboxylato-κ^3^O^2^,N,O^8^)nickel(II) trihydrate | - C20 H18 N2 Ni O9 - | - C20 H18 N2 Ni O9 - | - C40 H36 N4 Ni2 O18 - | 2 | 1 | OB1077 | Okabe, Nobuo; Muranishi, Yasunori | 8-Hydroxyquinaldinic acid and its nickel(II) complex | Acta Crystallographica Section C | 2,002 | 58 | 9 | m475 | m477 | 10.1107/S0108270102013628 | 0.7107 | MoKα | null | 0.04 | null | null | null | 0.134 | null | null | null | null | null | 0.904 | null | null | has coordinates | Okabe, Nobuo; Muranishi, Yasunori
8-Hydroxyquinaldinic acid and its nickel(II) complex
Acta Crystallographica Section C
58(9)
(2002)
m475-m477 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012947.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,948 | 8.2712 | 0.0013 | 7.9726 | 0.0012 | 13.39 | 0.002 | 90 | null | 90.762 | 0.012 | 90 | null | 882.9 | 0.2 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C6 H16 Br N - | - C6 H16 Br N - | - C24 H64 Br4 N4 - | 4 | 1 | SK1562 | Haberecht, Monika; Lerner, Hans-Wolfram; Bolte, Michael | The low-temperature phase of diisopropylammonium bromide | Acta Crystallographica Section C | 2,002 | 58 | 9 | o555 | o557 | 10.1107/S0108270102013379 | 0.71073 | MoKα | 0.0532 | 0.0439 | null | null | 0.1095 | 0.114 | null | null | null | null | null | 1.123 | null | null | has coordinates,has Fobs | Haberecht, Monika; Lerner, Hans-Wolfram; Bolte, Michael
The low-temperature phase of diisopropylammonium bromide
Acta Crystallographica Section C
58(9)
(2002)
o555-o557 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012948.cif $
#-------------------------------------------------------------------... | |||||||||||
2,012,949 | 5.3163 | 0.0003 | 8.1348 | 0.0004 | 27.259 | 0.002 | 90 | null | 90 | null | 90 | null | 1,178.87 | 0.12 | 183 | 2 | 183 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | L-Tryptophan formic acid solvate | L-2-Amino-3-(1H-indol-3-yl)-propionic acid formic acid solvate | - C12 H14 N2 O4 - | - C12 H14 N2 O4 - | - C48 H56 N8 O16 - | 4 | 1 | SK1566 | Hübschle, Christian B.; Dittrich, Birger; Luger, Peter | <small>L</small>-Tryptophan formic acid solvate at 183K | Acta Crystallographica Section C | 2,002 | 58 | 9 | o540 | o542 | 10.1107/S0108270102012489 | 0.71073 | MoKα | 0.065 | 0.051 | null | null | 0.121 | 0.126 | null | null | null | null | null | 1.062 | null | null | has coordinates,has Fobs | Hübschle, Christian B.; Dittrich, Birger; Luger, Peter
<small>L</small>-Tryptophan formic acid solvate at 183K
Acta Crystallographica Section C
58(9)
(2002)
o540-o542 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012949.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,950 | 9.7451 | 0.0003 | 9.7451 | 0.0003 | 14.1764 | 0.0006 | 90 | null | 90 | null | 90 | null | 1,346.29 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | I 41 | I 4bw | 80 | 1,1'-di(hydrazinoethanoyl)2,2'-biimidazole monohydrate | - C10 H16 N8 O3 - | - C10 H16 N8 O3 - | - C40 H64 N32 O12 - | 4 | 0.5 | SK1568 | Barnett, W. Mark; Baughman, Russell G.; Secondo, Paula M.; Hermansen, Charles J. | 1,1'-Di(hydrazinocarbonylmethyl)-2,2'-biimidazole monohydrate and 1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole | Acta Crystallographica Section C | 2,002 | 58 | 9 | o565 | o567 | 10.1107/S0108270102013458 | 0.71073 | MoKα | 0.037 | 0.0316 | null | 0.0798 | null | 0.0767 | null | null | 1.118 | null | null | 1.139 | null | null | has coordinates | Barnett, W. Mark; Baughman, Russell G.; Secondo, Paula M.; Hermansen, Charles J.
1,1'-Di(hydrazinocarbonylmethyl)-2,2'-biimidazole monohydrate and 1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole
Acta Crystallographica Section C
58(9)
(2002)
o565-o567 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012950.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,951 | 10.0505 | 0.0005 | 4.9326 | 0.0002 | 15.4663 | 0.0007 | 90 | null | 106.904 | 0.003 | 90 | null | 733.61 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1,1'-di(hydrazinopropanoyl)-2,2'-biimidazole | - C12 H18 N8 O2 - | - C12 H18 N8 O2 - | - C24 H36 N16 O4 - | 2 | 0.5 | SK1568 | Barnett, W. Mark; Baughman, Russell G.; Secondo, Paula M.; Hermansen, Charles J. | 1,1'-Di(hydrazinocarbonylmethyl)-2,2'-biimidazole monohydrate and 1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole | Acta Crystallographica Section C | 2,002 | 58 | 9 | o565 | o567 | 10.1107/S0108270102013458 | 0.71073 | MoKα | 0.0495 | 0.0399 | null | 0.108 | null | 0.1009 | null | null | 1.045 | null | null | 1.084 | null | null | has coordinates,has Fobs | Barnett, W. Mark; Baughman, Russell G.; Secondo, Paula M.; Hermansen, Charles J.
1,1'-Di(hydrazinocarbonylmethyl)-2,2'-biimidazole monohydrate and 1,1'-di[2-(hydrazinocarbonyl)ethyl]-2,2'-biimidazole
Acta Crystallographica Section C
58(9)
(2002)
o565-o567 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012951.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,952 | 13.5897 | 0.0001 | 18.7968 | 0.0001 | 10.9688 | 0.0001 | 90 | null | 96.427 | 0.001 | 90 | null | 2,784.29 | 0.04 | 183 | 2 | 183 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Bis(1-pyridin-2-ylethanone-κN 4-phenylthiosemicarbazonato-κ^2^N^4^,S)manganese(II) | - C28 H26 Mn N8 S2 - | - C28 H26 Mn N8 S2 - | - C112 H104 Mn4 N32 S8 - | 4 | 0.5 | SK1569 | Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Hoong-Kun Fun; A. Sreekanth; S. Sivakumar; M. R. Pratapchandra Kurup | Bis[1-(pyridin-2-yl)ethanone-κ<i>N</i> 4-phenylthiosemicarbazonato-κ^2^<i>N</i>^4^,<i>S</i>]manganese(II) | Acta Crystallographica Section C | 2,002 | 58 | 9 | m461 | m463 | 10.1107/S0108270102011976 | 0.71073 | MoKα | 0.0738 | 0.0496 | null | null | 0.1241 | 0.145 | null | null | null | null | null | 0.977 | null | null | has coordinates,has Fobs | Anwar Usman; Ibrahim Abdul Razak; Suchada Chantrapromma; Hoong-Kun Fun; A. Sreekanth; S. Sivakumar; M. R. Pratapchandra Kurup
Bis[1-(pyridin-2-yl)ethanone-κ<i>N</i> 4-phenylthiosemicarbazonato-κ^2^<i>N</i>^4^,<i>S</i>]manganese(II)
Acta Crystallographica Section C
58(9)
(2002)
m461-m463 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012952.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,953 | 13.4095 | 0.0007 | 8.5268 | 0.0006 | 15.0432 | 0.0009 | 90 | null | 103.928 | 0.004 | 90 | null | 1,669.47 | 0.18 | 150 | 1 | 150 | 1 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Bis(trichlorophosphino)iminium hexachloroniobate | - Cl12 N Nb P2 - | - Cl12 N Nb P2 - | - Cl48 N4 Nb4 P8 - | 4 | 0.5 | SK1570 | Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian | Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions | Acta Crystallographica Section C | 2,002 | 58 | 9 | i114 | i118 | 10.1107/S0108270102012532 | 0.71073 | MoKα | 0.038 | 0.0312 | null | null | 0.0773 | 0.0818 | null | null | null | null | null | 1.083 | null | null | has coordinates,has Fobs | Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian
Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions
Acta Crystallographica Section C
58(9)
(2002)
i114-i118 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012953.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,954 | 13.3957 | 0.0005 | 8.5165 | 0.0004 | 15.0937 | 0.0005 | 90 | null | 103.855 | 0.003 | 90 | null | 1,671.86 | 0.12 | 150 | 1 | 150 | 1 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Bis(trichlorophosphino)iminium hexachlorotantalate | - Cl12 N P2 Ta - | - Cl12 N P2 Ta - | - Cl48 N4 P8 Ta4 - | 4 | 0.5 | SK1570 | Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian | Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions | Acta Crystallographica Section C | 2,002 | 58 | 9 | i114 | i118 | 10.1107/S0108270102012532 | 0.71073 | MoKα | 0.0325 | 0.0272 | null | null | 0.0662 | 0.0694 | null | null | null | null | null | 1.078 | null | null | has coordinates,has Fobs | Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian
Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions
Acta Crystallographica Section C
58(9)
(2002)
i114-i118 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012954.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,955 | 8.9436 | 0.0004 | 9.0892 | 0.0004 | 14.2963 | 0.0006 | 91.77 | 0.002 | 105.714 | 0.003 | 107.973 | 0.002 | 1,055.78 | 0.08 | 250 | 1 | 250 | 1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Bis(trichlorophosphino)iminium tri-μ-chloro-bis[trichlorotitanium(IV)] | - Cl15 N P2 Ti2 - | - Cl15 N P2 Ti2 - | - Cl30 N2 P4 Ti4 - | 2 | 1 | SK1570 | Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian | Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions | Acta Crystallographica Section C | 2,002 | 58 | 9 | i114 | i118 | 10.1107/S0108270102012532 | 0.71073 | MoKα | 0.051 | 0.0363 | null | null | 0.0923 | 0.0989 | null | null | null | null | null | 1.024 | null | null | has coordinates,has disorder,has Fobs | Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian
Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions
Acta Crystallographica Section C
58(9)
(2002)
i114-i118 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012955.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,956 | 18.0456 | 0.0004 | 11.4295 | 0.0006 | 15.7039 | 0.0005 | 90 | null | 90 | null | 90 | null | 3,239 | 0.2 | 250 | 1 | 250 | 1 | null | null | null | null | 4 | C m c a | -C 2ac 2 | 64 | Bis[bis(trichlorophosphino)iminium] di-μ-chloro-bis[tetrachlorozirconium(IV)] | - Cl22 N2 P4 Zr2 - | - Cl22 N2 P4 Zr2 - | - Cl88 N8 P16 Zr8 - | 4 | null | SK1570 | Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian | Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions | Acta Crystallographica Section C | 2,002 | 58 | 9 | i114 | i118 | 10.1107/S0108270102012532 | 0.71073 | MoKα | 0.0419 | 0.0299 | null | null | 0.0703 | 0.0739 | null | null | null | null | null | 1.063 | null | null | has coordinates,has Fobs | Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian
Bis(trichlorophosphine)iminium salts, [Cl~3~P=N=PCl~3~]^+^, with transition metal halide counter-ions
Acta Crystallographica Section C
58(9)
(2002)
i114-i118 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012956.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,957 | 7.707 | 0.0002 | 16.1001 | 0.0003 | 14.3067 | 0.0004 | 90 | null | 95.077 | 0.001 | 90 | null | 1,768.26 | 0.08 | 120 | 2 | 120 | 2 | null | null | null | null | 5 | P 1 n 1 | P -2yac | 7 | N,N'-Dithiobisphthalimide–nitrobenzene (2/1) | - C38 H21 N5 O10 S4 - | - C38 H21 N5 O10 S4 - | - C76 H42 N10 O20 S8 - | 2 | 1 | SK1574 | Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Low, John N.; Quesada, Antonio | <i>N</i>,<i>N</i>'-Dithiobisphthalimide–nitrobenzene (2/1): a <i>Pn</i> solvate with localized solvent molecules ordered head-to-tail in channels | Acta Crystallographica Section C | 2,002 | 58 | 9 | o551 | o554 | 10.1107/S0108270102012830 | 0.71073 | MoKα | 0.0737 | 0.0428 | null | null | 0.0857 | 0.0963 | null | null | null | null | null | 0.973 | null | null | has coordinates,has Fobs | Bowes, Katharine F.; Ferguson, George; Glidewell, Christopher; Low, John N.; Quesada, Antonio
<i>N</i>,<i>N</i>'-Dithiobisphthalimide–nitrobenzene (2/1): a <i>Pn</i> solvate with localized solvent molecules ordered head-to-tail in channels
Acta Crystallographica Section C
58(9)
(2002)
o551-o554 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012957.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,958 | 4.2626 | 0.0006 | 14.512 | 0.002 | 10.255 | 0.002 | 90 | null | 92.272 | 0.011 | 90 | null | 633.86 | 0.18 | 295 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | thiothymine | 2,3-dihydro-5-methyl-2-thioxopyrimidin-4(1H)-one | - C5 H6 N2 O S - | - C5 H6 N2 O S - | - C20 H24 N8 O4 S4 - | 4 | 1 | SK1576 | Matković-Čalogović, Dubravka; Bešić, Erim; Sanković, Krešimir | 5-Methyl-2-thiouracil | Acta Crystallographica Section C | 2,002 | 58 | 9 | o568 | o569 | 10.1107/S010827010201315X | 0.71073 | MoKα | 0.051 | 0.035 | null | null | 0.098 | 0.106 | null | null | null | null | null | 1.042 | null | null | has coordinates,has Fobs | Matković-Čalogović, Dubravka; Bešić, Erim; Sanković, Krešimir
5-Methyl-2-thiouracil
Acta Crystallographica Section C
58(9)
(2002)
o568-o569 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012958.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,959 | 12.2764 | 0.0013 | 7.8543 | 0.0009 | 13.6935 | 0.0015 | 90 | null | 101.666 | 0.002 | 90 | null | 1,293.1 | 0.2 | 292 | 2 | 292 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 2,3-Dihydro-3,3-dimethylspiro[1H-4-oxanthracene-5,2'-oxiran]-10(5H)-one | - C16 H16 O3 - | - C16 H16 O3 - | - C64 H64 O12 - | 4 | 1 | SK1577 | Ferreira, Vitor F.; Pinto, Antonio V.; Pinto, Maria C. R. F.; da Silva, Milton N.; Skakle, J. M. S.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V. | 2,3-Dihydro-3,3-dimethylspiro[1<i>H</i>-4-oxanthracene-5,2'-oxiran]-10(5<i>H</i>)-one | Acta Crystallographica Section C | 2,002 | 58 | 9 | o560 | o562 | 10.1107/S0108270102013665 | 0.71073 | MoKα | 0.098 | 0.059 | null | null | 0.157 | 0.187 | null | null | null | null | null | 1.014 | null | null | has coordinates,has Fobs | Ferreira, Vitor F.; Pinto, Antonio V.; Pinto, Maria C. R. F.; da Silva, Milton N.; Skakle, J. M. S.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.
2,3-Dihydro-3,3-dimethylspiro[1<i>H</i>-4-oxanthracene-5,2'-oxiran]-10(5<i>H</i>)-one
Acta Crystallographica Section C
58(9)
(2002)
o560-o562 | 301,798 | 2025-08-19 | 6:42:13 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/29/2012959.cif $
#-------------------------------------------------------------------... |