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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,006,669 | 5.1928 | 0.0005 | 20.405 | 0.002 | 29.517 | 0.003 | 90 | null | 90 | null | 90 | null | 3,127.6 | 0.5 | 183 | 2 | 293 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | 2,6-Dibenzoyl-1,4-benzoquinone | - C20 H12 O4 - | - C20 H12 O4 - | - C160 H96 O32 - | 8 | 1 | FG1318 | Kumar Biradha; Michael J. Zaworotko; Ashwini Nangia; Gautam R. Desiraju | 2,6-Dibenzoyl-1,4-benzoquinone | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1653 | 1655 | 10.1107/S0108270197007579 | 0.71073 | MoKα | 0.1025 | 0.0517 | null | 0.1448 | null | 0.1448 | null | null | 1.04 | 1.023 | 1.023 | null | null | null | has coordinates | Kumar Biradha; Michael J. Zaworotko; Ashwini Nangia; Gautam R. Desiraju
2,6-Dibenzoyl-1,4-benzoquinone
Acta Crystallographica Section C
53(11)
(1997)
1653-1655 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006669.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,670 | 8.0485 | 0.0009 | 14.301 | 0.002 | 13.2703 | 0.0014 | 90 | null | 91.769 | 0.007 | 90 | null | 1,526.7 | 0.3 | 213 | 2 | 213 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | (3aR*,4S*,5S*,7aR*)-4-nitrobenzoic acid 5-methyl-1,3,3,4,5,7a-hexahydroisobenzofuran-4-yl ester | - C16 H17 N O5 - | - C16 H17 N O5 - | - C64 H68 N4 O20 - | 4 | 1 | FG1329 | Batey, Robert A.; Lin, Denny; Lough, Alan J. | (3a<i>R</i>*,4<i>S</i>*,5<i>S</i>*,7a<i>R</i>*)-4-Nitrobenzoic Acid 5-Methyl-1,3,3a,4,5,7a-hexahydroisobenzofuran-4-yl Ester | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1721 | 1723 | 10.1107/S0108270197007026 | 0.71073 | MoKα | 0.0607 | 0.0433 | null | 0.1288 | 0.1212 | null | null | null | 1.045 | 1.165 | 1.165 | null | null | null | has coordinates | Batey, Robert A.; Lin, Denny; Lough, Alan J.
(3a<i>R</i>*,4<i>S</i>*,5<i>S</i>*,7a<i>R</i>*)-4-Nitrobenzoic Acid 5-Methyl-1,3,3a,4,5,7a-hexahydroisobenzofuran-4-yl Ester
Acta Crystallographica Section C
53(11)
(1997)
1721-1723 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006670.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,671 | 16.889 | 0.001 | 9.2407 | 0.0005 | 6.2644 | 0.0006 | 90 | null | 90 | null | 90 | null | 977.66 | 0.12 | 296 | null | null | null | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | cyclohexanespiro-5'-hydantoin monohydrate | - C8 H14 N2 O3 - | - C8 H14 N2 O3 - | - C32 H56 N8 O12 - | 4 | 1 | FG1332 | Gauthier, Ted J.; Yokum, T. Scott; Morales, Guillermo A.; McLaughlin, Mark L.; Liu, Yen-Hsiang; Fronczek, Frank R. | Two Cyclohexanespiro-5'-hydantoin Monohydrates | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1659 | 1661 | 10.1107/S0108270197007488 | 1.54184 | CuKα | null | 0.038 | null | null | 0.039 | null | null | null | null | 1.466 | 1.466 | null | null | null | has coordinates | Gauthier, Ted J.; Yokum, T. Scott; Morales, Guillermo A.; McLaughlin, Mark L.; Liu, Yen-Hsiang; Fronczek, Frank R.
Two Cyclohexanespiro-5'-hydantoin Monohydrates
Acta Crystallographica Section C
53(11)
(1997)
1659-1661 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006671.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,672 | 11.991 | 0.001 | 8.3535 | 0.0007 | 15.159 | 0.001 | 90 | null | 94.731 | 0.008 | 90 | null | 1,513.3 | 0.2 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2-(3-Indolyl)cyclohexanespiro-5'-hydantoin | - C16 H19 N3 O3 - | - C16 H19 N3 O3 - | - C64 H76 N12 O12 - | 4 | 1 | FG1332 | Gauthier, Ted J.; Yokum, T. Scott; Morales, Guillermo A.; McLaughlin, Mark L.; Liu, Yen-Hsiang; Fronczek, Frank R. | Two Cyclohexanespiro-5'-hydantoin Monohydrates | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1659 | 1661 | 10.1107/S0108270197007488 | 1.54184 | CuKα | null | 0.054 | null | null | 0.088 | null | null | null | null | 1.533 | 1.533 | null | null | null | has coordinates | Gauthier, Ted J.; Yokum, T. Scott; Morales, Guillermo A.; McLaughlin, Mark L.; Liu, Yen-Hsiang; Fronczek, Frank R.
Two Cyclohexanespiro-5'-hydantoin Monohydrates
Acta Crystallographica Section C
53(11)
(1997)
1659-1661 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006672.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,673 | 9.8918 | 0.001 | 11.6789 | 0.0012 | 12.6536 | 0.0012 | 90 | null | 95.819 | 0.008 | 90 | null | 1,454.3 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Benzylselenolato(η^5^-cyclopentadienyl)(tricarbonyl)molybdenum(II) | - C15 H12 Mo O3 Se - | - C15 H12 Mo O3 Se - | - C60 H48 Mo4 O12 Se4 - | 4 | 1 | FG1338 | Thöne, Carsten; Jones, Peter G.; Laube, Jörg | Organometallic Selenolates. VII. (Benzylselenolato-<i>Se</i>)tricarbonyl(η^5^-cyclopentadienyl)molybdenum(II) and Bis[1,2(η^5^)-cyclopentadienyl]-di-μ-ethylselenolato-di-μ-selenido-dimolybdenum(IV)(<i>Mo</i>—<i>Mo</i>) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1539 | 1542 | 10.1107/S0108270197007592 | 0.71073 | MoKα | 0.0261 | 0.019 | null | 0.0415 | 0.0404 | null | null | null | 0.976 | 1.036 | 1.036 | null | null | null | has coordinates | Thöne, Carsten; Jones, Peter G.; Laube, Jörg
Organometallic Selenolates. VII. (Benzylselenolato-<i>Se</i>)tricarbonyl(η^5^-cyclopentadienyl)molybdenum(II) and Bis[1,2(η^5^)-cyclopentadienyl]-di-μ-ethylselenolato-di-μ-selenido-dimolybdenum(IV)(<i>Mo</i>—<i>Mo</i>)
Acta Crystallographica Section C
53(11)
(1997)
1539-1542 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006673.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,149 | 12.1717 | 0.0001 | 19.8544 | 0.0001 | 10.517 | 0.0001 | 90 | null | 112.018 | 0.001 | 90 | null | 2,356.19 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Tetrakis(μ-3-azaniumylbenzoato)-κ^3^<i>O</i>:<i>O</i>,<i>O</i>'; κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^4^<i>O</i>:<i>O</i>'- bis[tetraaquaneodymium(III)] hexachloride tetrahydrate | - C28 H52 Cl6 N4 Nd2 O20 - | - C28 H48 Cl6 N4 Nd2 O20 - | - C56 H96 Cl12 N8 Nd4 O40 - | 2 | 0.5 | SU2265 | Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude | Tetrakis(μ-3-azaniumylbenzoato)-κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^4^<i>O</i>:<i>O</i>'-bis[tetraaquaneodymium(III)] hexachloride tetrahydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m584 | m585 | 10.1107/S1600536811012700 | 0.71073 | MoKα | 0.0891 | 0.0405 | null | null | 0.0835 | 0.0961 | null | null | null | null | null | 1.022 | null | null | has coordinates,has disorder,has Fobs | Benslimane, Meriem; Merazig, Hocine; Daran, Jean-Claude
Tetrakis(μ-3-azaniumylbenzoato)-κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^4^<i>O</i>:<i>O</i>'-bis[tetraaquaneodymium(III)] hexachloride tetrahydrate
Acta Crystallographica Section E
67(5)
(2011)
m584-m585 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230149.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,674 | 8.4036 | 0.0015 | 15.376 | 0.003 | 6.9712 | 0.0012 | 90 | null | 99.092 | 0.008 | 90 | null | 889.5 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Bis[(η^5^-cyclopentadienyl)(μ-selenido)(μ-ethylselenolato)]- dimolybdenum(IV)(Mo=Mo) | - C14 H20 Mo2 Se4 - | - C14 H20 Mo2 Se4 - | - C28 H40 Mo4 Se8 - | 2 | 0.5 | FG1338 | Thöne, Carsten; Jones, Peter G.; Laube, Jörg | Organometallic Selenolates. VII. (Benzylselenolato-<i>Se</i>)tricarbonyl(η^5^-cyclopentadienyl)molybdenum(II) and Bis[1,2(η^5^)-cyclopentadienyl]-di-μ-ethylselenolato-di-μ-selenido-dimolybdenum(IV)(<i>Mo</i>—<i>Mo</i>) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1539 | 1542 | 10.1107/S0108270197007592 | 0.71073 | MoKα | 0.0207 | 0.0192 | null | 0.047 | 0.0461 | null | null | null | 1.093 | 1.102 | 1.102 | null | null | null | has coordinates | Thöne, Carsten; Jones, Peter G.; Laube, Jörg
Organometallic Selenolates. VII. (Benzylselenolato-<i>Se</i>)tricarbonyl(η^5^-cyclopentadienyl)molybdenum(II) and Bis[1,2(η^5^)-cyclopentadienyl]-di-μ-ethylselenolato-di-μ-selenido-dimolybdenum(IV)(<i>Mo</i>—<i>Mo</i>)
Acta Crystallographica Section C
53(11)
(1997)
1539-1542 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006674.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,675 | 12.702 | 0.003 | 14.653 | 0.003 | 17.715 | 0.002 | 88.722 | 0.012 | 77.38 | 0.02 | 66.64 | 0.02 | 2,946.1 | 1.1 | 293 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 5,11,17,23-Tetra-tert-butyl-25, 27-bis[2-(p-nitrobenzalamino)ethoxy]-26,28-dihydroxycalix[4]arene | - C62 H72 N4 O8 - | - C62 H72 N4 O8 - | - C124 H144 N8 O16 - | 2 | 1 | Zhang, Wen-Chun; Chen, Xue-An; Zhao, Ling; Huang, Zhi-Tang | 5,11,17,23-Tetra-tert-butyl-26,28-dihydroxy-25,27-bis[2-(p-nitrobenzylidene-amino)ethoxy]calix[4]arene | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1644 | 1647 | 10.1107/S010827019700961X | 0.71073 | MoKα | null | 0.0626 | null | 0.1862 | 0.1527 | null | null | null | 0.852 | 1.146 | 1.146 | null | null | null | has coordinates,has disorder | Zhang, Wen-Chun; Chen, Xue-An; Zhao, Ling; Huang, Zhi-Tang
5,11,17,23-Tetra-tert-butyl-26,28-dihydroxy-25,27-bis[2-(p-nitrobenzylidene-amino)ethoxy]calix[4]arene
Acta Crystallographica Section C
53(11)
(1997)
1644-1647 | 175,018 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-01-25 13:30:52 +0200 (Mon, 25 Jan 2016) $
#$Revision: 175018 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006675.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,676 | 9.1708 | 0.0014 | 10.696 | 0.0003 | 7.4317 | 0.0015 | 92.08 | 0.02 | 107.8 | 0.01 | 92.57 | 0.02 | 692.43 | 0.18 | 296 | null | 296 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | cis-3,5a-Dimethyl-6-formyloxy-1H-5a,6,7,8,9-pentahydro-1- oxopyrano[4,3-b][1]benzopyran | - C15 H16 O5 - | - C15 H16 O5 - | - C30 H32 O10 - | 2 | 1 | FG1343 | Robinson, Paul D.; Hua, Duy H.; Chen, Yi; Meyers, Cal Y. | <i>cis</i>-3,5a-Dimethyl-1-oxo-5a,6,8,9-tetrahydro-1<i>H</i>,7<i>H</i>-pyrano[4,3-<i>b</i>][1]benzopyran-6-yl Formate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1642 | 1644 | 10.1107/S0108270197008603 | 0.71069 | MoKα | 0.0701 | 0.0382 | null | 0.1209 | null | 0.1027 | null | null | 1.031 | 1.093 | 1.093 | null | null | null | has coordinates | Robinson, Paul D.; Hua, Duy H.; Chen, Yi; Meyers, Cal Y.
<i>cis</i>-3,5a-Dimethyl-1-oxo-5a,6,8,9-tetrahydro-1<i>H</i>,7<i>H</i>-pyrano[4,3-<i>b</i>][1]benzopyran-6-yl Formate
Acta Crystallographica Section C
53(11)
(1997)
1642-1644 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006676.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,677 | 8.3369 | 0.001 | 9.506 | 0.0012 | 29.565 | 0.003 | 90 | null | 90 | null | 90 | null | 2,343 | 0.5 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | N-Benzyldi(methanesulfonyl)amine | - C9 H13 N O4 S2 - | - C9 H13 N O4 S2 - | - C72 H104 N8 O32 S16 - | 8 | 2 | FG1348 | Henschel, Dagmar; Blaschette, Armand; Jones, Peter G. | Polysulfonylamines. LXXXIX. <i>N</i>,<i>N</i>-Bis(methylsulfonyl)benzylamine | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1669 | 1671 | 10.1107/S0108270197009177 | 0.71073 | MoKα | 0.0386 | 0.0315 | null | 0.0769 | 0.0745 | null | null | null | 1.046 | 1.086 | 1.086 | null | null | null | has coordinates | Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.
Polysulfonylamines. LXXXIX. <i>N</i>,<i>N</i>-Bis(methylsulfonyl)benzylamine
Acta Crystallographica Section C
53(11)
(1997)
1669-1671 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006677.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,678 | 9.368 | 0.002 | 10.627 | 0.002 | 12.219 | 0.002 | 76.67 | 0.03 | 73.94 | 0.03 | 66.93 | 0.03 | 1,065.2 | 0.4 | 298 | null | 298 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | Bis(N, N'-di-2-pyridyl ketone oximato)chlorogold(III) hydrate | - C22 H18 Au Cl N6 O3 - | - C22 H18 Au Cl N6 O3 - | - C44 H36 Au2 Cl2 N12 O6 - | 2 | 1 | FR1030 | Sommerer, Shaun O.; MacBeth, Cora E.; Jircitano, Alan J.; Abboud, Khalil A. | Chlorobis(<i>N</i>,<i>N</i>'-di-2-pyridyl ketone oximato)gold(III) Hydrate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1551 | 1553 | 10.1107/S0108270197008925 | 0.71073 | MoKα | 0.0337 | 0.0271 | null | 0.0605 | 0.0579 | null | null | null | 1.066 | 1.085 | 1.085 | null | null | null | has coordinates | Sommerer, Shaun O.; MacBeth, Cora E.; Jircitano, Alan J.; Abboud, Khalil A.
Chlorobis(<i>N</i>,<i>N</i>'-di-2-pyridyl ketone oximato)gold(III) Hydrate
Acta Crystallographica Section C
53(11)
(1997)
1551-1553 | 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/2/00/66/2006678.cif $
#-------------------------------------------------------------------... | ||||||||||
2,018,087 | 11.2894 | 0.0017 | 13.539 | 0.002 | 13.606 | 0.002 | 73.915 | 0.013 | 78.438 | 0.014 | 74.41 | 0.012 | 1,906.8 | 0.5 | 295 | 2 | 295 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Bis[(dihydrogen pyrophosphato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''- terpyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] 4.5-hydrate | - C30 H35 Cu2 N6 O18.5 P4 - | - C30 H35 Cu2 N6 O18.5 P4 - | - C60 H70 Cu4 N12 O37 P8 - | 2 | 1 | SQ3286 | Perec, Mireille; Baggio, Ricardo | Bis[(dihydrogen pyrophosphato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)] 4.5-hydrate | Acta Crystallographica Section C | 2,011 | 67 | 5 | m140 | m144 | 10.1107/S0108270111012121 | 0.71073 | MoKα | 0.0731 | 0.0354 | null | null | 0.0904 | 0.1011 | null | null | null | null | null | 1.025 | null | null | has coordinates,has Fobs | Perec, Mireille; Baggio, Ricardo
Bis[(dihydrogen pyrophosphato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)] 4.5-hydrate
Acta Crystallographica Section C
67(5)
(2011)
m140-m144 | 301,798 | 2025-08-19 | 6:44:11 | #------------------------------------------------------------------------------
#$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/2/01/80/2018087.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,679 | 13.8946 | 0.0008 | 16.513 | 0.0001 | 6.4276 | 0.0004 | 90 | null | 90 | null | 90 | null | 1,474.76 | 0.13 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P b c n | -P 2n 2ab | 60 | N,N'-(dimethylthiourea)gold(I) perchlorate | - C6 H16 Au Cl N4 O4 S2 - | - C6 H16 Au Cl N4 O4 S2 - | - C24 H64 Au4 Cl4 N16 O16 S8 - | 4 | 0.5 | FR1036 | Richard J. Staples; John P. Fackler Jr; Juan Costamagna | Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)gold(I) Perchlorate and Bis(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)gold(I) Perchlorate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1555 | 1558 | 10.1107/S0108270197008317 | 0.71073 | MoKα | 0.0325 | 0.0324 | null | 0.1097 | 0.1096 | null | null | null | 1.252 | 1.255 | 1.255 | null | null | null | has coordinates | Richard J. Staples; John P. Fackler Jr; Juan Costamagna
Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)gold(I) Perchlorate and Bis(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)gold(I) Perchlorate
Acta Crystallographica Section C
53(11)
(1997)
1555-1558 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006679.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,680 | 7.278 | 0.001 | 12.127 | 0.003 | 21.118 | 0.006 | 90 | null | 90 | null | 90 | null | 1,863.9 | 0.7 | 193 | 2 | 293 | 2 | null | null | null | null | 7 | P 21 21 21 | P 2ac 2ab | 19 | Bis(diethylthiourea)gold(I) percholorate | - C10 H24 Au Cl N4 O4 S2 - | - C10 H24 Au Cl N4 O4 S2 - | - C40 H96 Au4 Cl4 N16 O16 S8 - | 4 | 1 | FR1036 | Richard J. Staples; John P. Fackler Jr; Juan Costamagna | Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)gold(I) Perchlorate and Bis(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)gold(I) Perchlorate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1555 | 1558 | 10.1107/S0108270197008317 | 0.71073 | MoKα | 0.1383 | 0.0915 | null | 0.1714 | 0.1505 | null | null | null | 1.116 | 1.196 | 1.196 | null | null | null | has coordinates | Richard J. Staples; John P. Fackler Jr; Juan Costamagna
Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)gold(I) Perchlorate and Bis(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)gold(I) Perchlorate
Acta Crystallographica Section C
53(11)
(1997)
1555-1558 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006680.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,681 | 7.698 | 0.002 | 16.647 | 0.002 | 15.3084 | 0.0015 | 90 | null | 102.271 | 0.012 | 90 | null | 1,916.9 | 0.6 | 193 | 2 | 193 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | cyanobis(tricyclohexyl)phosphino)gold(I) | - C19 H33 Au N P - | - C19 H33 Au N P - | - C76 H132 Au4 N4 P4 - | 4 | 1 | FR1044 | Al-Arfaj, A.R.; Reibenspies, J.H.; Hussain, M. Sakhawat; Darensbourg, M.Y.; Akhtar, N.; Isab, A.A. | Cyano[tri(cyclohexyl)phosphino]gold(I), [Au(CN){(C~6~H~11~)~3~P}] | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1553 | 1555 | 10.1107/S0108270197008937 | 0.71073 | MoKα | 0.0834 | 0.0472 | null | 0.1085 | 0.0944 | null | null | null | 1.018 | 1.069 | 1.069 | null | null | null | has coordinates | Al-Arfaj, A.R.; Reibenspies, J.H.; Hussain, M. Sakhawat; Darensbourg, M.Y.; Akhtar, N.; Isab, A.A.
Cyano[tri(cyclohexyl)phosphino]gold(I), [Au(CN){(C~6~H~11~)~3~P}]
Acta Crystallographica Section C
53(11)
(1997)
1553-1555 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006681.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,682 | 22.94 | 0.007 | 13.611 | 0.005 | 25.178 | 0.007 | 90 | null | 116 | 0.01 | 90 | null | 7,066 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | Tris(2,2'-Bipyridyl)-zinc(ii) thiosulfate, heptahydrate | - C30 H38 N6 O10 S2 Zn - | - C30 H36.68 N6 O9.34 S2 Zn - | - C240 H293.44 N48 O74.72 S16 Zn8 - | 8 | 1 | HA1190 | Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa | Tris(2,2'-bipyridyl-<i>N</i>,<i>N</i>')zinc(II) Thiosulfate Heptahydrate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1570 | 1572 | 10.1107/S0108270197008615 | 0.71073 | MoKα | 0.092 | 0.069 | null | 0.204 | 0.144 | null | null | null | 1.328 | 1.284 | 1.284 | null | null | null | has coordinates,has disorder | Baggio, Sergio; Pardo, Maria I.; Baggio, Ricardo; Garland, Maria Teresa
Tris(2,2'-bipyridyl-<i>N</i>,<i>N</i>')zinc(II) Thiosulfate Heptahydrate
Acta Crystallographica Section C
53(11)
(1997)
1570-1572 | 203,567 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-11-25 04:38:28 +0200 (Sat, 25 Nov 2017) $
#$Revision: 203567 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006682.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,683 | 6.681 | 0.003 | 8.362 | 0.001 | 16.707 | 0.002 | 90 | null | 97.01 | 0.05 | 90 | null | 926.4 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 3-(o-Carboxyphenyl)-1- methyltriazene 1- oxide | 3-(o-Carboxyphenyl)-1- methyltriazene 1- oxide | - C8 H9 N3 O3 - | - C8 H9 N3 O3 - | - C32 H36 N12 O12 - | 4 | 1 | HA1193 | Chitra Samanta; Sailesh C. Saha; Alok Kumar Mukherjee | 3-(<i>o</i>-Carboxyphenyl)-1-methyltriazene 1-Oxide | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1657 | 1658 | 10.1107/S0108270197006537 | 0.71073 | MoKα | 0.0466 | 0.039 | null | 0.1127 | 0.109 | null | null | null | 1.042 | 1.123 | 1.123 | null | null | null | has coordinates | Chitra Samanta; Sailesh C. Saha; Alok Kumar Mukherjee
3-(<i>o</i>-Carboxyphenyl)-1-methyltriazene 1-Oxide
Acta Crystallographica Section C
53(11)
(1997)
1657-1658 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006683.cif $
#-------------------------------------------------------------------... | |||||||||
2,006,684 | 11.192 | 0.002 | 9.96 | 0.001 | 18.282 | 0.002 | 90.33 | 0.03 | 97.03 | 0.02 | 90.19 | 0.02 | 2,022.6 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | Diantimony - molybdenum - hexaoxide | - Mo O6 Sb2 - | - Mo O6 Sb2 - | - Mo16 O96 Sb32 - | 16 | 8 | JZ1184 | Castro, Alicia; Enjalbert, Renée; Galy, Jean | Sb~2~MoO~6~, a Re-examination | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1526 | 1529 | 10.1107/S0108270197006239 | 0.71069 | MoKα | 0.0502 | 0.0298 | null | 0.1067 | 0.0967 | null | null | null | 1.01 | 1.614 | 1.614 | null | null | null | has coordinates | Castro, Alicia; Enjalbert, Renée; Galy, Jean
Sb~2~MoO~6~, a Re-examination
Acta Crystallographica Section C
53(11)
(1997)
1526-1529 | 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/2/00/66/2006684.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,685 | 12.381 | 0.01 | 9.185 | 0.005 | 9.221 | 0.005 | 90 | null | 90 | null | 90 | null | 1,048.6 | 1.2 | 293 | null | null | null | null | null | null | null | 2 | C m c a | -C 2ac 2 | 64 | - Ni10 Zr7 - | - Ni10 Zr7 - | - Ni40 Zr28 - | 4 | null | JZ1204 | Joubert, Jean-Marc; Černý, R.; Yvon, K.; Latroche, M.; Percheron-Guégan, A. | Zirconium‒Nickel, Zr~7~Ni~10~: Space Group Revision for the Stoichiometric Phase | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1536 | 1538 | 10.1107/S0108270197007142 | 0.71073 | MoKα | null | 0.0605 | null | null | null | 0.0376 | null | null | null | null | null | 1.2892 | null | null | has coordinates | Joubert, Jean-Marc; Černý, R.; Yvon, K.; Latroche, M.; Percheron-Guégan, A.
Zirconium‒Nickel, Zr~7~Ni~10~: Space Group Revision for the Stoichiometric Phase
Acta Crystallographica Section C
53(11)
(1997)
1536-1538 | 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/2/00/66/2006685.cif $
#-------------------------------------------------------------------... | |||||||||||
2,018,086 | 15.4495 | 0.0012 | 18.6924 | 0.0014 | 16.5229 | 0.0012 | 90 | null | 116.656 | 0.001 | 90 | null | 4,264.5 | 0.6 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | <i>trans</i>-diaquabis(<i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide-κ<i>O</i>)copper(II) dinitrate– <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide (1/2) | - C72 H148 Cu N14 O12 P4 - | - C72 H148 Cu N14 O12 P4 - | - C144 H296 Cu2 N28 O24 P8 - | 2 | 0.5 | SQ3282 | Pourayoubi, Mehrdad; Golen, James A.; Rostami Chaijan, Mahnaz; Divjakovic, Vladimir; Negari, Monireh; Rheingold, Arnold L. | The hydrogen-bonded dimers of <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes | Acta Crystallographica Section C | 2,011 | 67 | 5 | m160 | m164 | 10.1107/S010827011101403X | 0.71073 | MoKα | 0.0658 | 0.0432 | null | null | 0.0956 | 0.1058 | null | null | null | null | null | 1.043 | null | null | has coordinates,has Fobs | Pourayoubi, Mehrdad; Golen, James A.; Rostami Chaijan, Mahnaz; Divjakovic, Vladimir; Negari, Monireh; Rheingold, Arnold L.
The hydrogen-bonded dimers of <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes
Acta Crystallographica Section C
67(5)
(2011)
m160-m164 | 301,798 | 2025-08-19 | 6:44:11 | #------------------------------------------------------------------------------
#$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/2/01/80/2018086.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,686 | 7.712 | 0.001 | 11.52 | 0.001 | 12.721 | 0.001 | 90 | null | 94.86 | 0.01 | 90 | null | 1,126.1 | 0.2 | 223 | 2 | 223 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (E)-2-Buten-1-yl-(S)-N-(2'-methoxy-[1,1']binaphthalenyl-2-yl)propanimidate | - C28 H27 N O2 - | - C28 H27 N O2 - | - C56 H54 N2 O4 - | 2 | 1 | JZ1211 | Fröhlich, Roland; Hungerhoff, Benno; Metz, Peter | (<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-[1,1']binaphthalen-2-yl)propanimidate and (<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-3-methyl-[1,1']binaphthalen-2-yl)propanimidate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1655 | 1657 | 10.1107/S0108270197006756 | 1.54178 | CuKα | 0.0398 | 0.0364 | null | 0.1093 | 0.1054 | null | null | null | 1.049 | 1.044 | 1.044 | null | null | null | has coordinates | Fröhlich, Roland; Hungerhoff, Benno; Metz, Peter
(<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-[1,1']binaphthalen-2-yl)propanimidate and (<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-3-methyl-[1,1']binaphthalen-2-yl)propanimidate
Acta Crystallographica Section C
53(11)
(1997)
1655-1657 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006686.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,687 | 7.786 | 0.001 | 17.431 | 0.001 | 8.749 | 0.001 | 90 | null | 98.24 | 0.01 | 90 | null | 1,175.1 | 0.2 | 223 | 2 | 223 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (E)-2-Buten-1-yl-(S)-N-(2'-methoxy-3-methyl-[1,1']binaphthalenyl-2-yl)- propanimidate | - C29 H29 N O2 - | - C29 H29 N O2 - | - C58 H58 N2 O4 - | 2 | 1 | JZ1211 | Fröhlich, Roland; Hungerhoff, Benno; Metz, Peter | (<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-[1,1']binaphthalen-2-yl)propanimidate and (<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-3-methyl-[1,1']binaphthalen-2-yl)propanimidate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1655 | 1657 | 10.1107/S0108270197006756 | 1.54178 | CuKα | 0.0325 | 0.0314 | null | 0.095 | 0.0904 | null | null | null | 1.066 | 1.069 | 1.069 | null | null | null | has coordinates | Fröhlich, Roland; Hungerhoff, Benno; Metz, Peter
(<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-[1,1']binaphthalen-2-yl)propanimidate and (<i>E</i>)-2-Buten-1-yl (<i>S</i>)-<i>N</i>-(2'-Methoxy-3-methyl-[1,1']binaphthalen-2-yl)propanimidate
Acta Crystallographica Section C
53(11)
(1997)
1655-1657 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006687.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,688 | 11.0647 | 0.0005 | 11.52 | 0.0004 | 9.6867 | 0.0004 | 90 | null | 103.199 | 0.004 | 90 | null | 1,202.1 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | (Imidazole) (N-salicylideneglycinato)-Copper(II) Polymer | - C12 H11 Cu N3 O3 - | - C12 H11 Cu N3 O3 - | - C48 H44 Cu4 N12 O12 - | 4 | 1 | JZ1215 | Warda, Salam A. | The Chain Polymers (Imidazole)(<i>N</i>-salicylideneglycinato)copper(II) and (2-Ethylimidazole)(<i>N</i>-salicylideneglycinato)copper(II) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1590 | 1593 | 10.1107/S0108270197008056 | 1.54178 | CuKα | 0.0465 | 0.0419 | null | 0.1189 | 0.1143 | null | null | null | 1.053 | 1.069 | 1.069 | null | null | null | has coordinates | Warda, Salam A.
The Chain Polymers (Imidazole)(<i>N</i>-salicylideneglycinato)copper(II) and (2-Ethylimidazole)(<i>N</i>-salicylideneglycinato)copper(II)
Acta Crystallographica Section C
53(11)
(1997)
1590-1593 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006688.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,689 | 11.2152 | 0.0005 | 9.3864 | 0.0005 | 26.2788 | 0.0009 | 90 | null | 90 | null | 90 | null | 2,766.4 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | (2-Ethylimidazole) (N-salicylideneglycinato)-Copper(II) Polymer | - C14 H15 Cu N3 O3 - | - C14 H15 Cu N3 O3 - | - C112 H120 Cu8 N24 O24 - | 8 | 1 | JZ1215 | Warda, Salam A. | The Chain Polymers (Imidazole)(<i>N</i>-salicylideneglycinato)copper(II) and (2-Ethylimidazole)(<i>N</i>-salicylideneglycinato)copper(II) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1590 | 1593 | 10.1107/S0108270197008056 | 1.54178 | CuKα | 0.0498 | 0.0368 | null | 0.1067 | 0.0996 | null | null | null | 1.031 | 1.063 | 1.063 | null | null | null | has coordinates | Warda, Salam A.
The Chain Polymers (Imidazole)(<i>N</i>-salicylideneglycinato)copper(II) and (2-Ethylimidazole)(<i>N</i>-salicylideneglycinato)copper(II)
Acta Crystallographica Section C
53(11)
(1997)
1590-1593 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006689.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,690 | 9.1844 | 0.0004 | 16.9279 | 0.0007 | 9.3097 | 0.0004 | 90 | null | 94.489 | 0.006 | 90 | null | 1,442.96 | 0.11 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | (Imidazole) (N-Salicylidene-α-aminoisobutyrato)-Copper(II) Dimer | - C14 H15 Cu N3 O3 - | - C14 H15 Cu N3 O3 - | - C56 H60 Cu4 N12 O12 - | 4 | 1 | JZ1216 | Warda, Salam A. | (Imidazole-<i>N</i>^3^)(<i>N</i>-salicylidene-α-aminoisobutyrato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) Dimer | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1588 | 1590 | 10.1107/S0108270197008275 | 1.54178 | CuKα | 0.035 | 0.0338 | null | 0.0932 | 0.0924 | null | null | null | 1.087 | 1.098 | 1.098 | null | null | null | has coordinates | Warda, Salam A.
(Imidazole-<i>N</i>^3^)(<i>N</i>-salicylidene-α-aminoisobutyrato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) Dimer
Acta Crystallographica Section C
53(11)
(1997)
1588-1590 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006690.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,691 | 9.2511 | 0.001 | 13.513 | 0.003 | 6.1542 | 0.0003 | 90 | null | 90 | null | 90 | null | 769.34 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | 6-Nitrophthalide | 1,3-Dihydro-6-nitrobenzo[c]furan-1-one | - C8 H5 N O4 - | - C8 H5 N O4 - | - C32 H20 N4 O16 - | 4 | 1 | JZ1219 | Bradley, Richard F.; Schwalbe, Carl H.; Ross, Kenneth C.; Fraser, William; Freeman, Sally | 6-Nitrophthalide | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1626 | 1628 | 10.1107/S0108270197008494 | 1.54178 | CuKα | 0.0376 | 0.0361 | null | 0.0993 | 0.0968 | null | null | null | 1.072 | 1.064 | 1.064 | null | null | null | has coordinates | Bradley, Richard F.; Schwalbe, Carl H.; Ross, Kenneth C.; Fraser, William; Freeman, Sally
6-Nitrophthalide
Acta Crystallographica Section C
53(11)
(1997)
1626-1628 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006691.cif $
#-------------------------------------------------------------------... | |||||||||
2,018,085 | 12.0882 | 0.0006 | 25.1607 | 0.0013 | 15.8103 | 0.0008 | 90 | null | 108.879 | 0.001 | 90 | null | 4,550 | 0.4 | 100 | 2 | 100 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | <i>cis</i>-dichlorido-<i>trans</i>-dimethyl-<i>cis</i>- bis(<i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide-κ<i>O</i>)tin(IV) | - C38 H78 Cl2 N6 O2 P2 Sn - | - C38 H78 Cl2 N6 O2 P2 Sn - | - C152 H312 Cl8 N24 O8 P8 Sn4 - | 4 | 1 | SQ3282 | Pourayoubi, Mehrdad; Golen, James A.; Rostami Chaijan, Mahnaz; Divjakovic, Vladimir; Negari, Monireh; Rheingold, Arnold L. | The hydrogen-bonded dimers of <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes | Acta Crystallographica Section C | 2,011 | 67 | 5 | m160 | m164 | 10.1107/S010827011101403X | 0.71073 | MoKα | 0.0302 | 0.0244 | null | null | 0.0736 | 0.0798 | null | null | null | null | null | 1.004 | null | null | has coordinates,has Fobs | Pourayoubi, Mehrdad; Golen, James A.; Rostami Chaijan, Mahnaz; Divjakovic, Vladimir; Negari, Monireh; Rheingold, Arnold L.
The hydrogen-bonded dimers of <i>N</i>,<i>N</i>',<i>N</i>''-tricyclohexylphosphoric triamide in new tin(IV) and copper(II) complexes
Acta Crystallographica Section C
67(5)
(2011)
m160-m164 | 288,505 | 2023-12-22 | 15:12:01 | #------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018085.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,692 | 34.05 | 0.005 | 11.3 | 0.003 | 8.347 | 0.002 | 90 | null | 90 | null | 90 | null | 3,211.6 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | 2-(4-chlorophenyl)-2-(N-acetylthiocarbamato)-ethanoic acid acetonitrile (1:1) | - C13 H13 Cl N2 O4 S - | - C13 H13 Cl N2 O4 S - | - C104 H104 Cl8 N16 O32 S8 - | 8 | 1 | JZ1220 | Leban, Ivan; Majcen Le Maréchal, Alenka; Robert, Albert | 2-(4-Chlorophenyl)-2-(<i>N</i>-acetylcarbamoylthio)ethanoic Acid–Acetonitrile (1/1) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1677 | 1679 | 10.1107/S0108270197008627 | 0.71073 | MoKα | 0.0973 | 0.049 | null | 0.122 | 0.0976 | null | null | null | 1.038 | 1.124 | 1.124 | null | null | null | has coordinates,has Fobs | Leban, Ivan; Majcen Le Maréchal, Alenka; Robert, Albert
2-(4-Chlorophenyl)-2-(<i>N</i>-acetylcarbamoylthio)ethanoic Acid–Acetonitrile (1/1)
Acta Crystallographica Section C
53(11)
(1997)
1677-1679 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006692.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,693 | 13.603 | 0.001 | 8.383 | 0.001 | 12.198 | 0.001 | 90 | null | 97.66 | 0.01 | 90 | null | 1,378.6 | 0.2 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | Bis-(4-benzylpiperidinium) Tetrachloromercurate | - C24 H36 Cl4 Hg N2 - | - C24 H36 Cl4 Hg N2 - | - C48 H72 Cl8 Hg2 N4 - | 2 | 1 | JZ1221 | Spengler, Roland; Zouari, Fatma; Ben Salah, Abdelhamid; Burzlaff, Hans | Bis(4-benzylpiperidinium) Tetrachloromercurate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1566 | 1568 | 10.1107/S0108270197008500 | 0.7107 | MoKα | 0.047 | 0.04 | null | 0.042 | null | 0.04 | null | null | 1.42 | null | null | 1.45 | null | null | has coordinates,has Fobs | Spengler, Roland; Zouari, Fatma; Ben Salah, Abdelhamid; Burzlaff, Hans
Bis(4-benzylpiperidinium) Tetrachloromercurate
Acta Crystallographica Section C
53(11)
(1997)
1566-1568 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006693.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,694 | 10.1144 | 0.0009 | 13.4212 | 0.0011 | 30.576 | 0.003 | 90 | null | 98.919 | 0.009 | 90 | null | 4,100.4 | 0.6 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1,1,3-Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane– hexamethylenetetramine (1/1). | - C43 H64 N4 O3 - | - C43 H64 N4 O3 - | - C172 H256 N16 O12 - | 4 | 1 | JZ1228 | Meehan, Paul R.; Gregson, Richard M.; Glidewell, Christopher; Ferguson, George | Steric Inhibition of Molecular Weaving: Non-Woven Nets of <i>R</i>^6^~6~(40) and <i>R</i>^6^~6~(60) Rings in 1,1,3-Tris(2-methyl-4-hydroxy-5-<i>tert</i>-butylphenyl)butane–Hexamethylenetetramine (1/1) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1637 | 1640 | 10.1107/S0108270197009293 | 0.7107 | MolybdenumKα | 0.2502 | 0.0622 | null | 0.1374 | null | 0.106 | null | null | 0.815 | null | null | 1.229 | null | null | has coordinates | Meehan, Paul R.; Gregson, Richard M.; Glidewell, Christopher; Ferguson, George
Steric Inhibition of Molecular Weaving: Non-Woven Nets of <i>R</i>^6^~6~(40) and <i>R</i>^6^~6~(60) Rings in 1,1,3-Tris(2-methyl-4-hydroxy-5-<i>tert</i>-butylphenyl)butane–Hexamethylenetetramine (1/1)
Acta Crystallographica Section C
53(11)
... | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006694.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,695 | 8.39 | 0.0009 | 13.27 | 0.002 | 23.258 | 0.0015 | 90 | null | 90 | null | 90 | null | 2,589.4 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | Dimethyl N,N-(Endo-himmoyl)-(R,R)-cysteine | Dimethyl N,N-(Endo-himmoyl)-(R,R)-cysteine | - C26 H28 N2 O8 S2 - | - C26 H28 N2 O8 S2 - | - C104 H112 N8 O32 S8 - | 4 | 1 | KA1223 | Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; North, Michael | Dimethyl <i>N</i>,<i>N</i>'-Bis(<i>endo</i>-himmoyl)-(<i>R</i>,<i>R</i>)-cystine | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1701 | 1703 | 10.1107/S0108270197007154 | 0.71069 | MoKα | 0.0875 | 0.0725 | null | 0.1939 | 0.1851 | null | null | null | 1.088 | 1.199 | 1.199 | null | null | null | has coordinates,has disorder | Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; North, Michael
Dimethyl <i>N</i>,<i>N</i>'-Bis(<i>endo</i>-himmoyl)-(<i>R</i>,<i>R</i>)-cystine
Acta Crystallographica Section C
53(11)
(1997)
1701-1703 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006695.cif $
#-------------------------------------------------------------------... | |||||||||
2,006,696 | 8.352 | 0.001 | 10.664 | 0.001 | 12.65 | 0.001 | 90 | null | 90 | null | 90 | null | 1,126.68 | 0.19 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C5 H5 N O S - | - C5 H5 N O S - | - C40 H40 N8 O8 S8 - | 8 | 1 | KA1236 | Hartung, Jens; Svoboda, Ingrid; Duarte, Maria Teresa | Hydrogen Bonding in 1-Hydroxy-4(1<i>H</i>)-pyridinethione | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1631 | 1634 | 10.1107/S0108270197008834 | 0.71093 | MoKα | 0.0414 | 0.0294 | null | 0.0744 | 0.0679 | null | null | null | 1.083 | 1.115 | 1.115 | null | null | null | has coordinates | Hartung, Jens; Svoboda, Ingrid; Duarte, Maria Teresa
Hydrogen Bonding in 1-Hydroxy-4(1<i>H</i>)-pyridinethione
Acta Crystallographica Section C
53(11)
(1997)
1631-1634 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006696.cif $
#-------------------------------------------------------------------... | |||||||||||
2,018,084 | 7.3321 | 0.0007 | 9.8805 | 0.0009 | 12.586 | 0.0012 | 102.835 | 0.007 | 98.83 | 0.008 | 91.555 | 0.008 | 876.7 | 0.15 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2-amino-6-methylpyrimidin-4(3<i>H</i>)-one–2-amino-6-methylpyrimidin-\ 4(1<i>H</i>)-one–<i>N</i>-methyl-2-pyrrolidone (1/1/1) | - C15 H23 N7 O3 - | - C15 H23 N7 O3 - | - C30 H46 N14 O6 - | 2 | 1 | SK3407 | Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael | Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal | Acta Crystallographica Section C | 2,011 | 67 | 5 | o179 | o187 | 10.1107/S0108270111013072 | 0.71073 | MoKα | 0.1071 | 0.0678 | null | null | 0.1573 | 0.1756 | null | null | null | null | null | 0.815 | null | null | has coordinates,has disorder,has Fobs | Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal
Acta Crystallographica Section C
67(5)
(2011)
o179-o187 | 301,798 | 2025-08-19 | 6:44:11 | #------------------------------------------------------------------------------
#$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/2/01/80/2018084.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,697 | 14.486 | 0.002 | 11.1562 | 0.0007 | 6.373 | 0.002 | 90 | null | 90 | null | 90 | null | 1,029.9 | 0.4 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | - C11 H15 N O2 - | - C11 H15 N O2 - | - C44 H60 N4 O8 - | 4 | 1 | KA1240 | Hartung, Jens; Svoboda, Ingrid; Fuess, Hartmut; Duarte, Maria Teresa | Lone-Pair Repulsion in Cyclic Hydroxamic Acid <i>O</i>-Esters: <i>N</i>-Cyclohexyloxy-2(1<i>H</i>)-pyridone | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1629 | 1631 | 10.1107/S0108270197008846 | 0.71093 | MoKα | 0.0434 | 0.038 | null | 0.0917 | 0.0873 | null | null | null | 1.114 | 1.118 | 1.118 | null | null | null | has coordinates | Hartung, Jens; Svoboda, Ingrid; Fuess, Hartmut; Duarte, Maria Teresa
Lone-Pair Repulsion in Cyclic Hydroxamic Acid <i>O</i>-Esters: <i>N</i>-Cyclohexyloxy-2(1<i>H</i>)-pyridone
Acta Crystallographica Section C
53(11)
(1997)
1629-1631 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006697.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,698 | 5.8295 | 0.0007 | 5.5407 | 0.0007 | 16.345 | 0.002 | 90 | null | 94.607 | 0.002 | 90 | null | 526.23 | 0.11 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4,4'-dinitro-2,2'-bipyridine | - C10 H6 N4 O4 - | - C10 H6 N4 O4 - | - C20 H12 N8 O8 - | 2 | 0.5 | KA1243 | Pilkington, Melanie; Capelli, Silvia; Hauser, Jürg; Hoffmann, Christina; Bürgi, Hans-Beat | 4,4'-Dinitro-2,2'-bipyridine | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1719 | 1721 | 10.1107/S0108270197006586 | 0.71073 | MoKα | 0.0456 | 0.0359 | null | 0.0888 | 0.0852 | null | null | null | 2.688 | 2.841 | 2.841 | null | null | null | has coordinates | Pilkington, Melanie; Capelli, Silvia; Hauser, Jürg; Hoffmann, Christina; Bürgi, Hans-Beat
4,4'-Dinitro-2,2'-bipyridine
Acta Crystallographica Section C
53(11)
(1997)
1719-1721 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006698.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,699 | 11.4923 | 0.0005 | 14.3227 | 0.0007 | 8.1715 | 0.0004 | 95.655 | 0.001 | 94.838 | 0.001 | 89.567 | 0.001 | 1,333.72 | 0.11 | 203 | 2 | 203 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Copper(II) (N,N-bis(3,5-dimethylpyrazolyl-1-ylmethyl)-1-hydroxy- 2-aminoethane)(3,5-dimethyl-pyrazol) bis(perchlorate) | - C19 H31 Cl2 Cu N7 O9 - | - C19 H31 Cl2 Cu N7 O9 - | - C38 H62 Cl4 Cu2 N14 O18 - | 2 | 1 | KH1152 | Boyd, Peter D. W.; Burrell, Anthony K.; Rickard, Clifton E. F. | [<i>N</i>,<i>N</i>-Bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane](3,5-dimethylpyrazole)copper(II) Diperchlorate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1549 | 1551 | 10.1107/S0108270197007932 | 0.71073 | MoKα | 0.0442 | 0.0398 | null | 0.1161 | 0.1125 | null | null | null | 1.042 | 1.064 | 1.064 | null | null | null | has coordinates | Boyd, Peter D. W.; Burrell, Anthony K.; Rickard, Clifton E. F.
[<i>N</i>,<i>N</i>-Bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane](3,5-dimethylpyrazole)copper(II) Diperchlorate
Acta Crystallographica Section C
53(11)
(1997)
1549-1551 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/66/2006699.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,700 | 8.196 | 0.005 | 9.315 | 0.003 | 7.306 | 0.002 | 107.5 | 0.03 | 112.93 | 0.04 | 98.51 | 0.03 | 467.1 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | N,N-dimethyl-1,3-propanediamine nickel(II) thiocyanate | - C12 H28 N6 Ni S2 - | - C12 H28 N6 Ni S2 - | - C12 H28 N6 Ni S2 - | 1 | 0.5 | LI1152 | Soma Ghosh; Monika Mukherjee; Alok K. Mukherjee; Nirmalendu Ray Chaudhuri | Bis(<i>N</i>,<i>N</i>-dimethyl-1,3-propanediamine)bis(thiocyanato-<i>N</i>)nickel(II), Ni<i>L</i>~2~(NCS)~2~, and its Solid-State Isomer [<i>L</i> = NH~2~(CH~2~)~3~N(CH~3~)~2~] | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1561 | 1564 | 10.1107/S010827019700588X | 0.71073 | MoKα | 0.026 | 0.024 | null | 0.062 | 0.061 | null | null | null | 0.988 | 1.003 | 1.003 | null | null | null | has coordinates | Soma Ghosh; Monika Mukherjee; Alok K. Mukherjee; Nirmalendu Ray Chaudhuri
Bis(<i>N</i>,<i>N</i>-dimethyl-1,3-propanediamine)bis(thiocyanato-<i>N</i>)nickel(II), Ni<i>L</i>~2~(NCS)~2~, and its Solid-State Isomer [<i>L</i> = NH~2~(CH~2~)~3~N(CH~3~)~2~]
Acta Crystallographica Section C
53(11)
(1997)
1561-1564 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006700.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,701 | 7.354 | 0.001 | 8.477 | 0.001 | 25.511 | 0.003 | 90 | null | 90 | null | 90 | null | 1,590.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | 2-(4-chlorophenyl)amino-6,7,8,9-tetrahydrobenzo(b)thieno[3,2-e]- 1,2,4-triazolo[1,5-c]-pyrimidine. | - C17 H14 Cl N5 S - | - C17 H13.872 Cl N5 S - | - C68 H55.488 Cl4 N20 S4 - | 4 | 1 | MU1295 | Velavan, Ramasamy; Sivakumar, Kandasamy; Fun, Hoong-Kun; Pathak, Urvish S.; Jain, Kishor S.; Singh, Sanjay | Two Substituted [1,2,4]Triazole Derivatives | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1615 | 1617 | 10.1107/S0108270197004812 | 0.71073 | MoKα | 0.0675 | 0.0563 | null | 0.1836 | 0.1461 | null | null | null | 1.046 | 1.058 | 1.058 | null | null | null | has coordinates | Velavan, Ramasamy; Sivakumar, Kandasamy; Fun, Hoong-Kun; Pathak, Urvish S.; Jain, Kishor S.; Singh, Sanjay
Two Substituted [1,2,4]Triazole Derivatives
Acta Crystallographica Section C
53(11)
(1997)
1615-1617 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006701.cif $
#-------------------------------------------------------------------... | ||||||||||
2,018,083 | 7.8763 | 0.0013 | 9.6078 | 0.0017 | 12.3115 | 0.0019 | 108.78 | 0.013 | 95.194 | 0.013 | 99.959 | 0.013 | 858 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2-amino-6-methylpyrimidin-4(3<i>H</i>)-one–2-amino-6-methylpyrimidin-\ 4(1<i>H</i>)-one–dimethylacetamide (1/1/1) | - C14 H23 N7 O3 - | - C14 H23 N7 O3 - | - C28 H46 N14 O6 - | 2 | 1 | SK3407 | Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael | Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal | Acta Crystallographica Section C | 2,011 | 67 | 5 | o179 | o187 | 10.1107/S0108270111013072 | 0.71073 | MoKα | 0.1331 | 0.0678 | null | null | 0.1797 | 0.2043 | null | null | null | null | null | 0.819 | null | null | has coordinates,has Fobs | Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal
Acta Crystallographica Section C
67(5)
(2011)
o179-o187 | 301,798 | 2025-08-19 | 6:44:11 | #------------------------------------------------------------------------------
#$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/2/01/80/2018083.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,702 | 8.814 | 0.001 | 8.718 | 0.001 | 22.125 | 0.002 | 90 | null | 90.8 | 0.01 | 90 | null | 1,699.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 2-(4-chlorophenyl)amino-4-methyl-6,7,8,9-tetrahydrobenzo(b)thieno[3,2-e]- 1,2,4-triazolo[1,5-c]-pyrimidine. | - C18 H16 Cl N5 S - | - C18 H15.664 Cl N5 S - | - C72 H62.656 Cl4 N20 S4 - | 4 | 1 | MU1295 | Velavan, Ramasamy; Sivakumar, Kandasamy; Fun, Hoong-Kun; Pathak, Urvish S.; Jain, Kishor S.; Singh, Sanjay | Two Substituted [1,2,4]Triazole Derivatives | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1615 | 1617 | 10.1107/S0108270197004812 | 0.71073 | MoKα | 0.0529 | 0.0391 | null | 0.1109 | 0.1048 | null | null | null | 0.962 | 1.065 | 1.065 | null | null | null | has coordinates | Velavan, Ramasamy; Sivakumar, Kandasamy; Fun, Hoong-Kun; Pathak, Urvish S.; Jain, Kishor S.; Singh, Sanjay
Two Substituted [1,2,4]Triazole Derivatives
Acta Crystallographica Section C
53(11)
(1997)
1615-1617 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006702.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,703 | 10.131 | 0.003 | 12.711 | 0.005 | 23.594 | 0.007 | 87.27 | 0.03 | 101.59 | 0.03 | 109.05 | 0.03 | 2,812.8 | 1.7 | 293 | null | null | null | null | null | null | null | 8 | P -1 | -P 1 | 2 | - C59 H49 Cu3 Mo N O P3 S4 - | - C59 H49 Cu3 Mo N O P3 S4 - | - C118 H98 Cu6 Mo2 N2 O2 P6 S8 - | 2 | 1 | MU1304 | Wang, Quanming; Wu, Xintao; Huang, Qun; Sheng, Tianlu; Lin, Ping | Oxo-1κ<i>O</i>-μ~3~-(pyridine-2-thiolato-2κ<i>N</i>,3:4κ^2^<i>S</i>)-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;2:3:4κ^3^<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>;4κ<i>P</i>-tricoppermolybdenum | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1542 | 1543 | 10.1107/S010827019700382X | 0.71073 | MoKα | null | 0.054 | null | null | 0.06 | null | null | null | null | 1.16 | 1.16 | null | null | null | has coordinates | Wang, Quanming; Wu, Xintao; Huang, Qun; Sheng, Tianlu; Lin, Ping
Oxo-1κ<i>O</i>-μ~3~-(pyridine-2-thiolato-2κ<i>N</i>,3:4κ^2^<i>S</i>)-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;2:3:4κ^3^<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>;4κ<i>P</i>-tricoppermolybdenum
Acta Crystallographica Section C
53(1... | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006703.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,704 | 9.728 | 0.003 | 19.856 | 0.011 | 12.939 | 0.004 | 90 | null | 103.75 | 0.03 | 90 | null | 2,427.7 | 1.7 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | tris(di-μ-chloro-dichloroaluminium-1κ^2^Cl:2κ^2^Cl)(η^6^-toluene)neodymium | - C7 H8 Al3 Cl12 Nd - | - C7 H8 Al3 Cl12 Nd - | - C28 H32 Al12 Cl48 Nd4 - | 4 | 1 | MU1314 | Liu, Qiancai; Lin, Yong-Hua; Shen, Qi | An η^6^-Toluene Complex of Neodymium: [Nd(η^6^-C~6~H~5~CH~3~)(AlCl~4~)~3~] | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1579 | 1580 | 10.1107/S0108270197004964 | 0.71069 | MoKα | null | 0.039 | null | null | 0.038 | null | null | null | null | 1.464 | 1.464 | null | null | null | has coordinates | Liu, Qiancai; Lin, Yong-Hua; Shen, Qi
An η^6^-Toluene Complex of Neodymium: [Nd(η^6^-C~6~H~5~CH~3~)(AlCl~4~)~3~]
Acta Crystallographica Section C
53(11)
(1997)
1579-1580 | 278,316 | 2022-10-03 | 11:25:04 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 14:25:03 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278316 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006704.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,705 | 10.725 | 0.001 | 11.126 | 0.002 | 18.368 | 0.003 | 93.41 | 0.01 | 90.05 | 0.01 | 112.61 | 0.01 | 2,019.1 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | trans-Tetracarbonylbis[tris(4-chlorophenyl)phosphine]molybdenum(0) | - C40 H24 Cl6 Mo O4 P2 - | - C40 H24 Cl6 Mo O4 P2 - | - C80 H48 Cl12 Mo2 O8 P4 - | 2 | 1 | MU1322 | Shawkataly, Omar bin; Umathavan, Arumugam; Ramalingam, Kuppukkannu; Fun, Hoong-Kun; Ibrahim, Abdul Razak | <i>trans</i>-Tetracarbonylbis[tris(4-chlorophenyl)phosphine-<i>P</i>]molybdenum(0) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1543 | 1545 | 10.1107/S0108270197009384 | 0.71073 | MoKα | 0.109 | 0.048 | null | 0.121 | 0.102 | null | null | null | 0.81 | 0.968 | 0.968 | null | null | null | has coordinates | Shawkataly, Omar bin; Umathavan, Arumugam; Ramalingam, Kuppukkannu; Fun, Hoong-Kun; Ibrahim, Abdul Razak
<i>trans</i>-Tetracarbonylbis[tris(4-chlorophenyl)phosphine-<i>P</i>]molybdenum(0)
Acta Crystallographica Section C
53(11)
(1997)
1543-1545 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006705.cif $
#-------------------------------------------------------------------... | ||||||||||
2,018,082 | 8.455 | 0.0009 | 10.0803 | 0.0009 | 17.0735 | 0.0015 | 75.558 | 0.007 | 78.222 | 0.008 | 81.363 | 0.008 | 1,371.9 | 0.2 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2,6-diaminopyrimidin-4-one <i>N</i>-methyl-2-pyrrolidone solvate (3/2) | - C23 H39 N11 O5 - | - C23 H39 N11 O5 - | - C46 H78 N22 O10 - | 2 | 1 | SK3407 | Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael | Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal | Acta Crystallographica Section C | 2,011 | 67 | 5 | o179 | o187 | 10.1107/S0108270111013072 | 0.71073 | MoKα | 0.1051 | 0.0555 | null | null | 0.1137 | 0.1266 | null | null | null | null | null | 0.911 | null | null | has coordinates,has Fobs | Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal
Acta Crystallographica Section C
67(5)
(2011)
o179-o187 | 195,238 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-04-06 11:28:47 +0300 (Thu, 06 Apr 2017) $
#$Revision: 195238 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018082.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,706 | 8.028 | 0.001 | 12.349 | 0.002 | 14.922 | 0.003 | 90 | null | 92.2 | 0.01 | 90 | null | 1,478.2 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H11 Cl N4 - | - C18 H11 Cl N4 - | - C72 H44 Cl4 N16 - | 4 | 1 | MU1327 | Zhong-Lin Lu; Zhen-Wei Bian; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun | <i>o</i>-Chlorobenzaldehyde 4,5-Diaza-9-fluorenylidenehydrazone | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1614 | 1615 | 10.1107/S0108270197008159 | 0.71073 | MoKα | 0.1089 | 0.0414 | null | 0.1017 | 0.0864 | null | null | null | 0.808 | 1.051 | 1.051 | null | null | null | has coordinates | Zhong-Lin Lu; Zhen-Wei Bian; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun
<i>o</i>-Chlorobenzaldehyde 4,5-Diaza-9-fluorenylidenehydrazone
Acta Crystallographica Section C
53(11)
(1997)
1614-1615 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006706.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,707 | 14.922 | 0.002 | 15.157 | 0.002 | 23.606 | 0.003 | 90 | null | 90 | null | 90 | null | 5,339 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | 9-[2-(Ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl- xanthylium Iodide Monohydrate | - C28 H33 I N2 O4 - | - C28 H33 I N2 O4 - | - C224 H264 I8 N16 O32 - | 8 | 1 | MU1330 | Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Cai-Ming Lu; Ren-Gen Xiong; Xiao-zeng You | <i>N</i>-[9-(2-Ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]ethylammonium Iodide Monohydrate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1619 | 1620 | 10.1107/S0108270197009360 | 0.71073 | MoKα | 0.1016 | 0.0596 | null | 0.2024 | 0.1788 | null | null | null | 0.984 | 1.199 | 1.199 | null | null | null | has coordinates | Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Cai-Ming Lu; Ren-Gen Xiong; Xiao-zeng You
<i>N</i>-[9-(2-Ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethyl-3-xanthenylidene]ethylammonium Iodide Monohydrate
Acta Crystallographica Section C
53(11)
(1997)
1619-1620 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006707.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,708 | 18.262 | 0.002 | 7.096 | 0.001 | 26.315 | 0.002 | 90 | null | 105.09 | 0.01 | 90 | null | 3,292.5 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 2,12-dibromo-5,6-dihydrodibenz[c,h]acridine | - C21 H13 Br2 N - | - C21 H13 Br2 N - | - C168 H104 Br16 N8 - | 8 | 1 | MU1331 | Jayanta Kumar Ray; Manash Kumar Haldar; Kandasamy Chinnakali; Hoong-Kun Fun | 2,12-Dibromo-5,6-dihydrodibenz[<i>c</i>,<i>h</i>]acridine | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1617 | 1619 | 10.1107/S0108270197009372 | 0.71073 | MoKα | 0.1051 | 0.041 | null | 0.1033 | 0.0857 | null | null | null | 0.865 | 1.067 | 1.067 | null | null | null | has coordinates | Jayanta Kumar Ray; Manash Kumar Haldar; Kandasamy Chinnakali; Hoong-Kun Fun
2,12-Dibromo-5,6-dihydrodibenz[<i>c</i>,<i>h</i>]acridine
Acta Crystallographica Section C
53(11)
(1997)
1617-1619 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006708.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,709 | 10.758 | 0.001 | 23.899 | 0.002 | 5.9 | 0.001 | 90 | null | 90 | null | 90 | null | 1,516.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P n a 21 | P 2c -2n | 33 | 1-(p-Chlorophenyl)-4(2-thienyl)pyrrolidin-2-one-5-carboxylic acid | - C15 H12 Cl N O3 S - | - C15 H12 Cl N O3 S - | - C60 H48 Cl4 N4 O12 S4 - | 4 | 1 | MU1332 | Jayanta Kumar Ray; Bidhan Chandra Roy; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun | 1-(<i>p</i>-Chlorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2-carboxylic Acid | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1622 | 1624 | 10.1107/S0108270197009396 | 0.71073 | MoKα | 0.085 | 0.0384 | null | 0.0817 | 0.0714 | null | null | null | 0.816 | 1.021 | 1.021 | null | null | null | has coordinates | Jayanta Kumar Ray; Bidhan Chandra Roy; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun
1-(<i>p</i>-Chlorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2-carboxylic Acid
Acta Crystallographica Section C
53(11)
(1997)
1622-1624 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006709.cif $
#-------------------------------------------------------------------... | ||||||||||
2,018,081 | 19.1494 | 0.0013 | 7.8704 | 0.0004 | 14.9104 | 0.0011 | 90 | null | 104.868 | 0.006 | 90 | null | 2,172 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | C 1 c 1 | C -2yc | 9 | 2,6-diaminopyrimidin-4-one dimethylacetamide solvate (1/1) | - C8 H15 N5 O2 - | - C8 H15 N5 O2 - | - C64 H120 N40 O16 - | 8 | 2 | SK3407 | Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael | Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal | Acta Crystallographica Section C | 2,011 | 67 | 5 | o179 | o187 | 10.1107/S0108270111013072 | 0.71073 | MoKα | 0.0505 | 0.0474 | null | null | 0.1232 | 0.1257 | null | null | null | null | null | 1.037 | null | null | has coordinates,has Fobs | Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal
Acta Crystallographica Section C
67(5)
(2011)
o179-o187 | 301,798 | 2025-08-19 | 6:44:11 | #------------------------------------------------------------------------------
#$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/2/01/80/2018081.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,710 | 8.836 | 0.001 | 10.065 | 0.001 | 19.071 | 0.005 | 90 | null | 90 | null | 90 | null | 1,696.1 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | N-Acetoylphenylhydrazone | - C8 H10 N2 O - | - C8 H10 N2 O - | - C64 H80 N16 O8 - | 8 | 1 | MU1336 | Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Hoong-Kun Fun | <i>N</i>-Acetoylphenylhydrazone | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1621 | 1622 | 10.1107/S0108270197009402 | 0.71073 | MoKα | 0.0624 | 0.0477 | null | 0.1409 | 0.1308 | null | null | null | 0.987 | 1.1 | 1.1 | null | null | null | has coordinates | Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Hoong-Kun Fun
<i>N</i>-Acetoylphenylhydrazone
Acta Crystallographica Section C
53(11)
(1997)
1621-1622 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006710.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,711 | 6.61 | 0.002 | 11.371 | 0.001 | 14.683 | 0.001 | 90 | null | 91.73 | 0.01 | 90 | null | 1,103.1 | 0.4 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | trihydrate 1/1 salt between ((R)-3-Hydroxy-4-trimethylammonio)butiramide and ((1R,3S)-1,2,2-Trimethyl-1,3-cyclopentane dicarboxylic acid) | - C17 H38 N2 O9 - | - C17 H31 N2 O9 - | - C34 H62 N4 O18 - | 2 | 1 | NA1264 | De Santis, Pasquale; Camalli, Mercedes; Spagna, Riccardo; Gallo, G.; Giorgi, F.; Tinti, M.O. | Trihydrate 1/1 Salt Between (<i>R</i>)-Carnitine Amide and (1<i>R</i>,3<i>S</i>)-Camphoric Acid | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1679 | 1682 | 10.1107/S0108270197007178 | 1.54178 | CuKα | null | 0.059 | null | null | 0.081 | null | null | null | null | 0.995 | 0.995 | null | null | null | has coordinates | De Santis, Pasquale; Camalli, Mercedes; Spagna, Riccardo; Gallo, G.; Giorgi, F.; Tinti, M.O.
Trihydrate 1/1 Salt Between (<i>R</i>)-Carnitine Amide and (1<i>R</i>,3<i>S</i>)-Camphoric Acid
Acta Crystallographica Section C
53(11)
(1997)
1679-1682 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006711.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,712 | 4.0367 | 0.001 | 14.956 | 0.003 | 18.404 | 0.003 | 90 | null | 90 | null | 90 | null | 1,111.1 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 2 2 21 | C 2c 2 | 20 | Guanidinium bis[dichloromercury(II)]chloride, | - C H6 Cl5 Hg2 N3 - | - C H6 Cl5 Hg2 N3 - | - C4 H24 Cl20 Hg8 N12 - | 4 | 0.5 | NA1294 | Kubicki, Maciej; Szafrański, Marek | Poly{guanidinium bis[dichloromercury(II)]-μ~4~-chloro} | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1558 | 1561 | 10.1107/S0108270197007944 | 0.71073 | MoKα | 0.077 | 0.062 | null | 0.188 | 0.165 | null | null | null | 1.087 | 1.134 | 1.134 | null | null | null | has coordinates | Kubicki, Maciej; Szafrański, Marek
Poly{guanidinium bis[dichloromercury(II)]-μ~4~-chloro}
Acta Crystallographica Section C
53(11)
(1997)
1558-1561 | 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/2/00/67/2006712.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,713 | 8.123 | 0.001 | 10.58 | 0.002 | 10.981 | 0.002 | 98.52 | 0.01 | 101.76 | 0.01 | 105.97 | 0.01 | 867.1 | 0.3 | 190 | 2 | 190 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C14 H18 O8 Pb - | - C14 H18 O8 Pb - | - C28 H36 O16 Pb2 - | 2 | 1 | NA1300 | John Fawcett; Paul Jenkins; David R. Russell; Andrew J. Wood; Jan Wolters; Dick de Vos | Tris(acetato-<i>O</i>,<i>O</i>')(2,4-dimethoxyphenyl)lead(IV) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1600 | 1602 | 10.1107/S010827019700574X | 0.71073 | MoKα | 0.056 | 0.043 | null | 0.102 | 0.095 | null | null | null | 1.013 | 1.045 | 1.045 | null | null | null | has coordinates | John Fawcett; Paul Jenkins; David R. Russell; Andrew J. Wood; Jan Wolters; Dick de Vos
Tris(acetato-<i>O</i>,<i>O</i>')(2,4-dimethoxyphenyl)lead(IV)
Acta Crystallographica Section C
53(11)
(1997)
1600-1602 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006713.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,714 | 10.501 | 0.002 | 14.235 | 0.003 | 12.485 | 0.002 | 90 | null | 91.1 | 0.1 | 90 | null | 1,865.9 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | trans-[bis(N-methylpiperazine)Platinum(II)] dichloride tetrahydrate. | - C10 H32 Cl2 N4 O4 Pt - | - C10 H24 N4 Pt - | - C40 H96 N16 Pt4 - | 4 | 0.5 | NA1302 | Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni | Piperazine (and Derivatives) Platinum(II) Complexes: <i>trans</i>-Bis(<i>N</i>-methylpiperazine-<i>N</i>,<i>N</i>')platinum(II) Dichloride Tetrahydrate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1580 | 1583 | 10.1107/S0108270197007506 | 1.5418 | CuKα | 0.081 | 0.073 | null | 0.213 | 0.202 | null | null | null | 1.055 | 1.136 | 1.136 | null | null | null | has coordinates | Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni
Piperazine (and Derivatives) Platinum(II) Complexes: <i>trans</i>-Bis(<i>N</i>-methylpiperazine-<i>N</i>,<i>N</i>')platinum(II) Dichloride Tetrahydrate
Acta Crystallographica Section C
53(11)
(1997)
1580-1583 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006714.cif $
#-------------------------------------------------------------------... | ||||||||||
2,018,080 | 7.4417 | 0.0006 | 25.3217 | 0.0018 | 9.8578 | 0.0007 | 90 | null | 108.476 | 0.006 | 90 | null | 1,761.8 | 0.2 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 2,6-diaminopyrimidin-4-one dimethylformamide solvate hydrate (3/4/1) | - C8 H16 N5.33 O2.67 - | - C8 H16 N5.33333 O2.66667 - | - C48 H96 N32 O16 - | 6 | 3 | SK3407 | Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael | Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal | Acta Crystallographica Section C | 2,011 | 67 | 5 | o179 | o187 | 10.1107/S0108270111013072 | 0.71073 | MoKα | 0.0558 | 0.0399 | null | null | 0.0809 | 0.0853 | null | null | null | null | null | 0.909 | null | null | has coordinates,has disorder,has Fobs | Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal
Acta Crystallographica Section C
67(5)
(2011)
o179-o187 | 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/2/01/80/2018080.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,715 | 6.7832 | 0.0009 | 18.325 | 0.0003 | 27.751 | 0.0004 | 90 | null | 90 | null | 90 | null | 3,449.5 | 0.5 | 289 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (R,R)-Jacobsen Ligand | (1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butyl-salicylidene) | - C36 H54 N2 O2 - | - C36 H54 N2 O2 - | - C144 H216 N8 O8 - | 4 | 1 | NA1304 | Yoon, Jae Woong; Yoon, Tae-Sung; Shin, Whanchul | (1<i>R</i>,2<i>R</i>)-({-})-<i>N</i>,<i>N</i>'-Bis(3,5-di-<i>tert</i>-butylsalicylidene)-1,2-cyclohexanediamine: a Salen Ligand of Jacobsen's Catalyst | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1685 | 1687 | 10.1107/S0108270197006379 | 0.71069 | MoKα | 0.1362 | 0.0592 | null | 0.2022 | 0.1356 | null | null | null | 1.065 | 1.021 | 1.021 | null | null | null | has coordinates | Yoon, Jae Woong; Yoon, Tae-Sung; Shin, Whanchul
(1<i>R</i>,2<i>R</i>)-({-})-<i>N</i>,<i>N</i>'-Bis(3,5-di-<i>tert</i>-butylsalicylidene)-1,2-cyclohexanediamine: a Salen Ligand of Jacobsen's Catalyst
Acta Crystallographica Section C
53(11)
(1997)
1685-1687 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006715.cif $
#-------------------------------------------------------------------... | |||||||||
2,006,716 | 5.47 | 0.001 | 18.31 | 0.004 | 18.88 | 0.004 | 90 | null | 90 | null | 90 | null | 1,890.9 | 0.7 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | N-Benzyl-1-(hydroxyamino)-2:3;4:5-di-O-isopropylidene-α-D-mannofuranose | - C19 H27 N O6 - | - C19 H27 N O6 - | - C76 H108 N4 O24 - | 4 | 1 | NA1319 | Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Franco, Santiago | Chiral Hydroxylamines. IV. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-2:3;4:5-di-<i>O</i>-isopropylidene-α-<small>D</small>-mannofuranose | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1703 | 1705 | 10.1107/S010827019700913X | 0.71073 | MoKα | 0.102 | 0.069 | null | 0.34 | null | 0.174 | null | null | 1.078 | null | null | 1.08 | null | null | has coordinates | Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Franco, Santiago
Chiral Hydroxylamines. IV. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-2:3;4:5-di-<i>O</i>-isopropylidene-α-<small>D</small>-mannofuranose
Acta Crystallographica Section C
53(11)
(1997)
1703-1705 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006716.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,717 | 6.398 | 0.002 | 23.965 | 0.001 | 14.687 | 0.005 | 90 | null | 95.3 | 0.03 | 90 | null | 2,242.3 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | 6,6'-di-t-butylcarbonyloxy-2-carbométhoxy-4-méthylènecyclooctanone. | - C21 H32 O7 - | - C21 H32 O7 - | - C84 H128 O28 - | 4 | 2 | PA1250 | Ginderow, Daria; Louis Fensterbank; Catherine Jorand-Lebrun; Max Malacria | Deux Composés Trisubstitués de la 4-Méthylènecyclooctanone | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1661 | 1665 | 10.1107/S0108270197008391 | 1.5418 | CuKα | 0.0447 | 0.0403 | null | 0.1175 | 0.1128 | null | null | null | 1.027 | 1.043 | 1.043 | null | null | null | has coordinates | Ginderow, Daria; Louis Fensterbank; Catherine Jorand-Lebrun; Max Malacria
Deux Composés Trisubstitués de la 4-Méthylènecyclooctanone
Acta Crystallographica Section C
53(11)
(1997)
1661-1665 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006717.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,718 | 9.678 | 0.003 | 11.042 | 0.009 | 13.668 | 0.005 | 66.2 | 0.05 | 74.26 | 0.03 | 77.26 | 0.04 | 1,276 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 6,6'-di-t-butylcarbonyloxy-2-phénylsulfonyl-4-méthylènecyclooctanone | - C25 H34 O7 S - | - C25 H34 O7 S - | - C50 H68 O14 S2 - | 2 | 1 | PA1250 | Ginderow, Daria; Louis Fensterbank; Catherine Jorand-Lebrun; Max Malacria | Deux Composés Trisubstitués de la 4-Méthylènecyclooctanone | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1661 | 1665 | 10.1107/S0108270197008391 | 1.5418 | CuKα | 0.0457 | 0.0432 | null | 0.1178 | 0.116 | null | null | null | 1.059 | 1.059 | 1.059 | null | null | null | has coordinates | Ginderow, Daria; Louis Fensterbank; Catherine Jorand-Lebrun; Max Malacria
Deux Composés Trisubstitués de la 4-Méthylènecyclooctanone
Acta Crystallographica Section C
53(11)
(1997)
1661-1665 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006718.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,719 | 9.481 | 0.001 | 12.592 | 0.001 | 14.322 | 0.001 | 114.559 | 0.001 | 95.919 | 0.001 | 95.249 | 0.001 | 1,529.7 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Dicarbonyl[η^4^-((E)-(2,6,6-Trimethyl-cyclohepta-2,4-dienylidene)-ethyl acetat)]triphenylphosphine-iron | - C34 H35 Fe O4 P - | - C34 H35 Fe O4 P - | - C68 H70 Fe2 O8 P2 - | 2 | 1 | QA0015 | Petrowitsch, Tanja; Schürmann, Markus; Preut, Hans; Eilbracht, Peter | Dicarbonyl[η^4^-(<i>E</i>)-(2,6,6-trimethylcyclohepta-2,4-dienylidene)ethyl acetate](triphenylphosphine)iron | Acta Crystallographica Section C | 1,997 | 53 | 11 | IUC9700023 | 10.1107/S0108270197099356 | 0.71069 | MoKα | 0.087 | 0.0389 | null | 0.1088 | 0.0906 | null | null | null | 0.74 | 0.824 | 0.824 | null | null | null | has coordinates | Petrowitsch, Tanja; Schürmann, Markus; Preut, Hans; Eilbracht, Peter
Dicarbonyl[η^4^-(<i>E</i>)-(2,6,6-trimethylcyclohepta-2,4-dienylidene)ethyl acetate](triphenylphosphine)iron
Acta Crystallographica Section C
53(11)
(1997)
IUC9700023 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006719.cif $
#-------------------------------------------------------------------... | |||||||||||
2,018,079 | 7.715 | 0.0009 | 9.7229 | 0.0007 | 7.4514 | 0.0008 | 90 | null | 114.453 | 0.008 | 90 | null | 508.81 | 0.09 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2,6-diaminopyrimidin-4-one | - C4 H6 N4 O - | - C4 H6 N4 O - | - C16 H24 N16 O4 - | 4 | 1 | SK3407 | Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael | Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal | Acta Crystallographica Section C | 2,011 | 67 | 5 | o179 | o187 | 10.1107/S0108270111013072 | 0.71073 | MoKα | 0.0482 | 0.0379 | null | null | 0.0883 | 0.0921 | null | null | null | null | null | 0.974 | null | null | has coordinates,has Fobs | Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael
Pseudopolymorphs of 2,6-diaminopyrimidin-4-one and 2-amino-6-methylpyrimidin-4-one: one or two tautomers present in the same crystal
Acta Crystallographica Section C
67(5)
(2011)
o179-o187 | 301,798 | 2025-08-19 | 6:44:11 | #------------------------------------------------------------------------------
#$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/2/01/80/2018079.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,720 | 24.778 | 0.009 | 9.442 | 0.003 | 9.537 | 0.006 | 90 | null | 91.27 | 0.04 | 90 | null | 2,230.7 | 1.8 | 296 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | N-(1-Adamantyl)acetamide | - C12 H19 N O - | - C12 H19 N O - | - C96 H152 N8 O8 - | 8 | 1 | QA0021 | Mizoguchi, Jun-ichi; Miyaki Takayuki; Kashino, Setsuo | <i>N</i>-(1-Adamantyl)acetamide | Acta Crystallographica Section C | 1,997 | 53 | 11 | IUC9700024 | 10.1107/S0108270197099319 | 0.71073 | MoKα | null | 0.057 | null | null | null | 0.054 | null | null | null | null | null | 1.25 | null | null | has coordinates | Mizoguchi, Jun-ichi; Miyaki Takayuki; Kashino, Setsuo
<i>N</i>-(1-Adamantyl)acetamide
Acta Crystallographica Section C
53(11)
(1997)
IUC9700024 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006720.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,721 | 12.331 | 0.002 | 21.349 | 0.002 | 15.849 | 0.002 | 90 | null | 92.079 | 0.01 | 90 | null | 4,169.6 | 0.9 | 295.2 | null | 295.2 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - As2 Co4 H50 K10 O93 W18 - | - As2 Co4 K10 O92 W18 - | - As4 Co8 K20 O184 W36 - | 2 | 0.5 | QA0022 | Timothy J.R. Weakley | Potassium Bis(α-nonatungstoarsenato)diaquatetracobaltate(II) 23-Hydrate, K~10~[Co~4~(H~2~O)~2~(AsW~9~O~34~)~2~].23H~2~O | Acta Crystallographica Section C | 1,997 | 53 | 11 | IUC9700025 | 10.1107/S010827019709937X | 0.71073 | MoKα | null | 0.0367 | null | null | 0.0402 | null | null | null | null | 1.825 | 1.825 | null | null | null | has coordinates | Timothy J.R. Weakley
Potassium Bis(α-nonatungstoarsenato)diaquatetracobaltate(II) 23-Hydrate, K~10~[Co~4~(H~2~O)~2~(AsW~9~O~34~)~2~].23H~2~O
Acta Crystallographica Section C
53(11)
(1997)
IUC9700025 | 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/2/00/67/2006721.cif $
#-------------------------------------------------------------------... | ||||||||||||
2,006,722 | 6.967 | 0.005 | 18.876 | 0.009 | 10.157 | 0.006 | 90 | null | 92.9 | 0.2 | 90 | null | 1,334 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 1,1-diethyl-3-(4-methylbenzoyl)thiourea | - C13 H18 N2 O S - | - C13 H18 N2 O S - | - C52 H72 N8 O4 S4 - | 4 | 1 | QB0010 | Angel Dago Morales; Santiago García-Granda; Yolanda Rodríguez Esteva; Ana Plutín Stevens; Gerardo Alexis Acosta Crespo | 1,1-Diethyl-3-(4-methylbenzoyl)thiourea | Acta Crystallographica Section C | 1,997 | 53 | 11 | IUC9700019 | 10.1107/S0108270197099344 | 0.71073 | MoKα | 0.1165 | 0.0429 | null | 0.122 | 0.0987 | null | null | null | 1.026 | 1.132 | 1.132 | null | null | null | has coordinates | Angel Dago Morales; Santiago García-Granda; Yolanda Rodríguez Esteva; Ana Plutín Stevens; Gerardo Alexis Acosta Crespo
1,1-Diethyl-3-(4-methylbenzoyl)thiourea
Acta Crystallographica Section C
53(11)
(1997)
IUC9700019 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006722.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,723 | 9.4775 | 0.0001 | 11.1589 | 0.0002 | 10.7089 | 0.0002 | 90 | null | 111.505 | 0.001 | 90 | null | 1,053.71 | 0.03 | 173 | null | 173 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 2,4,6-Triphenyl-1,2,5,6-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester | - C25 H24 N2 O2 - | - C25 H24 N2 O2 - | - C50 H48 N4 O4 - | 2 | 1 | QB0017 | Bolte, Michael | Ethyl 2,4,6-Triphenyl-1,2,5,6-tetrahydropyrimidine-5-carboxylate at 173K | Acta Crystallographica Section C | 1,997 | 53 | 11 | IUC9700020 | 10.1107/S0108270197099332 | 0.71073 | MoKα | 0.0352 | 0.0349 | null | 0.0888 | 0.0885 | null | null | null | 1.076 | 1.078 | 1.078 | null | null | null | has coordinates,has Fobs | Bolte, Michael
Ethyl 2,4,6-Triphenyl-1,2,5,6-tetrahydropyrimidine-5-carboxylate at 173K
Acta Crystallographica Section C
53(11)
(1997)
IUC9700020 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006723.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,724 | 7.446 | 0.006 | 11.41 | 0.007 | 6.44 | 0.01 | 103.83 | 0.08 | 92.3 | 0.1 | 82.07 | 0.06 | 526.2 | 1 | 295 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | Rubidium hydrogen bis(dichloroacetate) | - C4 H3 Cl4 O4 Rb - | - C4 H3 Cl4 O4 Rb - | - C8 H6 Cl8 O8 Rb2 - | 2 | 1 | QB0023 | Yoshida, Tadanori; Kashino, Setsuo | Rubidium Hydrogen Bis(dichloroacetate) | Acta Crystallographica Section C | 1,997 | 53 | 11 | IUC9700021 | 10.1107/S0108270197099368 | 0.71073 | MoKα | null | 0.031 | null | null | null | 0.033 | null | null | null | null | null | 1.22 | null | null | has coordinates | Yoshida, Tadanori; Kashino, Setsuo
Rubidium Hydrogen Bis(dichloroacetate)
Acta Crystallographica Section C
53(11)
(1997)
IUC9700021 | 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/2/00/67/2006724.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,725 | 5.2107 | 0.0008 | 9.91 | 0.001 | 13.065 | 0.002 | 90 | null | 98.1 | 0.01 | 90 | null | 667.92 | 0.16 | 100 | null | 100 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | t-butyl carbamate | - C5 H11 N O2 - | - C5 H11 N O2 - | - C20 H44 N4 O8 - | 4 | 1 | QB0024 | Bursavich, Matthew G.; Fronczek, Frank R. | <i>tert</i>-Butyl Carbamate at 100K | Acta Crystallographica Section C | 1,997 | 53 | 11 | IUC9700022 | 10.1107/S0108270197099320 | 0.71073 | Mo-Kα | 0.065 | 0.045 | null | 0.042 | 0.041 | null | null | null | 1.612 | 1.602 | 1.602 | null | null | null | has coordinates | Bursavich, Matthew G.; Fronczek, Frank R.
<i>tert</i>-Butyl Carbamate at 100K
Acta Crystallographica Section C
53(11)
(1997)
IUC9700022 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006725.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,726 | 8.05 | 0.001 | 12.49 | 0.002 | 20.193 | 0.004 | 90 | null | 95.97 | 0.01 | 90 | null | 2,019.3 | 0.6 | 293 | null | 293 | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C22 H48 Ca Cu2 N14 O4 S6 - | - C22 H48 Ca Cu2 N14 O4 S6 - | - C44 H96 Ca2 Cu4 N28 O8 S12 - | 2 | 0.5 | SK1074 | Lu, Tian-Huey; Lin, Jyh-Liong; Lan, Wei-Jen; Chung, Chung-Sun | Bis[(1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)(thiocyanato-<i>S</i>)copper(II)] Diaquatetrakis(isothiocyanato-<i>N</i>)calcate(2‒) Dihydrate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1598 | 1600 | 10.1107/S0108270197008639 | 0.71073 | MolybdenumKα | 0.026 | 0.026 | null | 0.028 | 0.028 | null | null | null | null | 1.12 | 1.12 | null | null | null | has coordinates | Lu, Tian-Huey; Lin, Jyh-Liong; Lan, Wei-Jen; Chung, Chung-Sun
Bis[(1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)(thiocyanato-<i>S</i>)copper(II)] Diaquatetrakis(isothiocyanato-<i>N</i>)calcate(2‒) Dihydrate
Acta Crystallographica Section C
53(11)
(1997)
1598-1600 | 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/2/00/67/2006726.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,727 | 22.806 | 0.007 | 6.45 | 0.002 | 5.813 | 0.002 | 90 | null | 90 | null | 90 | null | 855.1 | 0.5 | 213 | 0.2 | 213 | 0.2 | null | null | null | null | 3 | C m c 21 | C 2c -2 | 36 | heptamethylenediamine | 1,7-diaminoheptane | - C7 H18 N2 - | - C7 H18 N2 - | - C28 H72 N8 - | 4 | 0.5 | SK1075 | Gotthardt, Roger; Fuhrhop, Jürgen-Hinrich; Buschmann, Jürgen; Luger, Peter | Heptamethylenediamine at 213K | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1715 | 1717 | 10.1107/S0108270197006471 | 1.5418 | CuKα,Nifilter | 0.057 | 0.0493 | null | 0.156 | 0.1471 | null | null | null | 1.069 | 1.109 | 1.109 | null | null | null | has coordinates | Gotthardt, Roger; Fuhrhop, Jürgen-Hinrich; Buschmann, Jürgen; Luger, Peter
Heptamethylenediamine at 213K
Acta Crystallographica Section C
53(11)
(1997)
1715-1717 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006727.cif $
#-------------------------------------------------------------------... | |||||||||
2,018,078 | 6.0318 | 0.0009 | 8.3396 | 0.001 | 25.361 | 0.004 | 90 | null | 90 | null | 90 | null | 1,275.7 | 0.3 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (2<i>R</i>*,4<i>S</i>*)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1<i>H</i>- 1-benzazepin-4-ol | - C15 H16 N2 O - | - C15 H16 N2 O - | - C60 H64 N8 O4 - | 4 | 1 | SK3404 | Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher | (2<i>R</i>*,4<i>S</i>*)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol: a three-dimensional framework built from O—H···N, C—H···O and C—H···π(arene) hydrogen bonds | Acta Crystallographica Section C | 2,011 | 67 | 5 | o157 | o160 | 10.1107/S010827011101016X | 0.71073 | MoKα | 0.05 | 0.0347 | null | null | 0.0768 | 0.0855 | null | null | null | null | null | 1.114 | null | null | has coordinates,has Fobs | Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher
(2<i>R</i>*,4<i>S</i>*)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol: a three-dimensional framework built from O—H···N, C—H···O and C—H···π(arene) hydrogen bonds
Acta Crystallographica Section C
67(5)
(2011)
o157-o160 | 301,798 | 2025-08-19 | 6:44:11 | #------------------------------------------------------------------------------
#$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/2/01/80/2018078.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,728 | 10.305 | 0.003 | 22.511 | 0.007 | 9.641 | 0.003 | 90 | null | 83.25 | 0.02 | 90 | null | 2,221 | 1.2 | 293 | 2 | 190 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | (2,2'-bipyridine)flavonolatocopper(II) perchlorate | - C25 H17 Cl Cu N2 O7 - | - C25 H17 Cl Cu N2 O7 - | - C100 H68 Cl4 Cu4 N8 O28 - | 4 | 1 | SK1079 | Lippai, István; Speier, Gábor; Huttner, Gottfried; Zsolnai, László | (2,2'-Bipyridine)(flavonolato)copper(II) Perchlorate, [Cu(bpy)(fla)]ClO~4~ | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1547 | 1549 | 10.1107/S0108270197005568 | 0.71073 | MoKα | 0.0591 | 0.0534 | null | 0.1666 | 0.1624 | null | null | null | 1.852 | 1.911 | 1.911 | null | null | null | has coordinates | Lippai, István; Speier, Gábor; Huttner, Gottfried; Zsolnai, László
(2,2'-Bipyridine)(flavonolato)copper(II) Perchlorate, [Cu(bpy)(fla)]ClO~4~
Acta Crystallographica Section C
53(11)
(1997)
1547-1549 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006728.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,729 | 10.211 | 0.002 | 8.285 | 0.001 | 19.539 | 0.003 | 90 | null | 99.32 | 0.01 | 90 | null | 1,631.1 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 8-Amino-7-(4-morpholinobutyl)-1,3-dimethyl-3,7-dihydro-1H-purine- 2,6-dione | - C15 H24 N6 O3 - | - C15 H24 N6 O3 - | - C60 H96 N24 O12 - | 4 | 1 | SK1110 | Karczmarzyk, Zbigniew; Pawłowski, Maciej | 8-Amino-7-(4-morpholinobutyl)theophylline | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1650 | 1653 | 10.1107/S0108270197006483 | 1.54184 | CuKα | 0.0565 | 0.0486 | null | 0.1514 | null | 0.1457 | null | null | 1.007 | null | null | 1.039 | null | null | has coordinates | Karczmarzyk, Zbigniew; Pawłowski, Maciej
8-Amino-7-(4-morpholinobutyl)theophylline
Acta Crystallographica Section C
53(11)
(1997)
1650-1653 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006729.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,730 | 9.157 | 0.003 | 10.815 | 0.003 | 10.855 | 0.004 | 75.78 | 0.01 | 85.9 | 0.01 | 84.42 | 0.01 | 1,035.9 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | (1-Amino-2-diphenylphosphinobenzene)tetracarbonylmolybdenum(0) | - C22 H16 Mo N O4 P - | - C22 H16 Mo N O4 P - | - C44 H32 Mo2 N2 O8 P2 - | 2 | 1 | SK1116 | Dahlenburg, Lutz; Herbst, Konrad; Liehr, Günter | Tetracarbonyl[2-(diphenylphosphino)aniline-<i>N</i>,<i>P</i>]molybdenum(0) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1545 | 1547 | 10.1107/S0108270197007518 | 0.7107 | MoKα | 0.034 | 0.029 | null | 0.058 | 0.056 | null | null | null | 1.129 | 1.156 | 1.156 | null | null | null | has coordinates | Dahlenburg, Lutz; Herbst, Konrad; Liehr, Günter
Tetracarbonyl[2-(diphenylphosphino)aniline-<i>N</i>,<i>P</i>]molybdenum(0)
Acta Crystallographica Section C
53(11)
(1997)
1545-1547 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006730.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,731 | 7.1807 | 0.0001 | 10.8165 | 0.0002 | 12.6864 | 0.0002 | 90 | null | 90 | null | 90 | null | 985.35 | 0.03 | 143 | null | 143 | null | null | null | null | null | 5 | P m n 21 | P 2ac -2 | 31 | N-Hydro-4-methylpyridinium Pentachloro(4-methylpyridino)titanate(IV) Acetonitrile at 143K | - C14 H18 Cl5 N3 Ti - | - C14 H18 Cl5 N3 Ti - | - C28 H36 Cl10 N6 Ti2 - | 2 | 0.5 | SK1120 | Hensen, Karl; Pickel, Peter; Lemke, Alexander; Bolte, Michael | 4-Methylpyridinium Pentachloro(4-methylpyridine-<i>N</i>)titanate(IV) Acetonitrile Solvate at 143K | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1583 | 1585 | 10.1107/S0108270197008949 | 0.71073 | MoKα | 0.0548 | 0.0379 | null | 0.0735 | 0.0681 | null | null | null | 1.072 | 1.094 | 1.094 | null | null | null | has coordinates,has Fobs | Hensen, Karl; Pickel, Peter; Lemke, Alexander; Bolte, Michael
4-Methylpyridinium Pentachloro(4-methylpyridine-<i>N</i>)titanate(IV) Acetonitrile Solvate at 143K
Acta Crystallographica Section C
53(11)
(1997)
1583-1585 | 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/2/00/67/2006731.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,732 | 13.303 | 0.001 | 13.365 | 0.001 | 15.493 | 0.001 | 90 | null | 90 | null | 90 | null | 2,754.6 | 0.3 | 295 | null | 295 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Acetyl-ΔPhe-L-Ala-ΔPhe-D-Ala-Methylester | - C27 H30 N4 O6 - | - C27 H30 N4 O6 - | - C108 H120 N16 O24 - | 4 | 1 | SX1026 | Tuzi, Angela; Fissi, Adriano; Pieroni, Osvaldo | Acetyl-ΔPhe-<small>L</small>-Ala-ΔPhe-<small>D</small>-Ala Methyl Ester | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1696 | 1698 | 10.1107/S0108270197007051 | 1.5418 | CuKα | 0.054 | 0.046 | null | null | 0.063 | null | null | null | null | 1.87 | 1.87 | null | null | null | has coordinates | Tuzi, Angela; Fissi, Adriano; Pieroni, Osvaldo
Acetyl-ΔPhe-<small>L</small>-Ala-ΔPhe-<small>D</small>-Ala Methyl Ester
Acta Crystallographica Section C
53(11)
(1997)
1696-1698 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006732.cif $
#-------------------------------------------------------------------... | ||||||||||
2,018,077 | 6.51605 | 0.00007 | 8.52612 | 0.00009 | 12.9191 | 0.00011 | 84.3274 | 0.0006 | 80.5788 | 0.0006 | 69.19 | 0.0004 | 661.225 | 0.012 | 298 | null | 298 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate | - C13 H11 N O5 S - | - C13 H11 N O5 S - | - C26 H22 N2 O10 S2 - | 2 | 1 | SK3399 | Rukiah, Mwaffak; Al-Ktaifani, Mahmoud | 2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies | Acta Crystallographica Section C | 2,011 | 67 | 5 | o166 | o170 | 10.1107/S0108270111010328 | powder diffraction | 1.5406 | CuKα~1~ | null | null | null | null | null | null | null | null | 1.2 | null | null | null | null | null | has coordinates | Rukiah, Mwaffak; Al-Ktaifani, Mahmoud
2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies
Acta Crystallographica Section C
67(5)
(2011)
o166-o170 | 301,798 | 2025-08-19 | 6:44:11 | #------------------------------------------------------------------------------
#$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/2/01/80/2018077.cif $
#-------------------------------------------------------------------... | |||||||||
2,006,733 | 6.6176 | 0.0009 | 8.38 | 0.0005 | 47.742 | 0.0005 | 89.99 | 0.02 | 90.497 | 0.01 | 90.02 | 0.03 | 2,647.5 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | trans-myristic acid 3-tert-butoxycarbonylamino-2-oxo-piperidin-5-yl ester | - C24 H44 N2 O5 - | - C24 H44 N2 O5 - | - C96 H176 N8 O20 - | 4 | 1 | SX1028 | Leopoldo Suescun P.; Raúl A. Mariezcurrena; Álvaro W. Mombrú; Oscar A. González; Eduardo Manta; Sandra Gordon | <i>trans</i>-Myristic Acid 3-<i>tert</i>-Butoxycarbonylamino-2-oxopiperidin-5-yl Ester, a New Anthelmintic Compound | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1682 | 1685 | 10.1107/S0108270197008329 | 0.7107 | MoKα | 0.1298 | 0.0474 | null | 0.1764 | 0.1366 | null | null | null | 1.044 | 1.226 | 1.226 | null | null | null | has coordinates | Leopoldo Suescun P.; Raúl A. Mariezcurrena; Álvaro W. Mombrú; Oscar A. González; Eduardo Manta; Sandra Gordon
<i>trans</i>-Myristic Acid 3-<i>tert</i>-Butoxycarbonylamino-2-oxopiperidin-5-yl Ester, a New Anthelmintic Compound
Acta Crystallographica Section C
53(11)
(1997)
1682-1685 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006733.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,734 | 8.892 | 0.002 | 11.261 | 0.003 | 16.681 | 0.005 | 90 | null | 93.7 | 0.02 | 90 | null | 1,666.8 | 0.8 | 293 | 2 | null | null | null | null | null | null | 3 | P 1 21 1 | null | 1-Hydroxybaccatin I | - C32 H44 O14 - | - C32 H44 O14 - | - C64 H88 O28 - | 2 | 1 | SX1035 | Davide Viterbo; Marco Milanesio; Giovanni Appendino; Sunil K. Chattopadhyay; Gour C. Saha | 1-Hydroxybaccatin I, C~32~H~44~O~14~, and 2-Deacetoxydecinnamoyltaxinine J, C~28~H~40~O~9~ | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1687 | 1690 | 10.1107/S0108270197009256 | 0.71069 | MoKα | null | 0.0577 | null | null | 0.1507 | null | null | null | null | 1.067 | 1.067 | null | null | null | has coordinates | Davide Viterbo; Marco Milanesio; Giovanni Appendino; Sunil K. Chattopadhyay; Gour C. Saha
1-Hydroxybaccatin I, C~32~H~44~O~14~, and 2-Deacetoxydecinnamoyltaxinine J, C~28~H~40~O~9~
Acta Crystallographica Section C
53(11)
(1997)
1687-1690 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006734.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,735 | 10.723 | 0.003 | 14.354 | 0.003 | 18.592 | 0.004 | 90 | null | 90 | null | 90 | null | 2,861.6 | 1.2 | 293 | 2 | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 2-deacetoxydecinnamoyltaxinine J | - C28 H40 O9 - | - C28 H40 O9 - | - C112 H160 O36 - | 4 | 1 | SX1035 | Davide Viterbo; Marco Milanesio; Giovanni Appendino; Sunil K. Chattopadhyay; Gour C. Saha | 1-Hydroxybaccatin I, C~32~H~44~O~14~, and 2-Deacetoxydecinnamoyltaxinine J, C~28~H~40~O~9~ | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1687 | 1690 | 10.1107/S0108270197009256 | 0.71069 | MoKα | null | 0.0553 | null | null | 0.1289 | null | null | null | null | 1.125 | 1.125 | null | null | null | has coordinates | Davide Viterbo; Marco Milanesio; Giovanni Appendino; Sunil K. Chattopadhyay; Gour C. Saha
1-Hydroxybaccatin I, C~32~H~44~O~14~, and 2-Deacetoxydecinnamoyltaxinine J, C~28~H~40~O~9~
Acta Crystallographica Section C
53(11)
(1997)
1687-1690 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006735.cif $
#-------------------------------------------------------------------... | ||||||||||
2,018,076 | 13.3928 | 0.0014 | 5.1432 | 0.0005 | 14.6577 | 0.0015 | 90 | null | 112.646 | 0.0006 | 90 | null | 931.81 | 0.16 | 298 | null | 298 | null | 101.3 | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2-(Benzoylsulfanyl)acetic acid | - C9 H8 O3 S - | - C9 H8 O3 S - | - C36 H32 O12 S4 - | 4 | 1 | SK3399 | Rukiah, Mwaffak; Al-Ktaifani, Mahmoud | 2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies | Acta Crystallographica Section C | 2,011 | 67 | 5 | o166 | o170 | 10.1107/S0108270111010328 | powder diffraction | 1.5406 | CuKα~1~ | null | null | null | null | null | null | null | null | 1.1 | null | null | null | null | null | has coordinates | Rukiah, Mwaffak; Al-Ktaifani, Mahmoud
2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies
Acta Crystallographica Section C
67(5)
(2011)
o166-o170 | 301,798 | 2025-08-19 | 6:44:11 | #------------------------------------------------------------------------------
#$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/2/01/80/2018076.cif $
#-------------------------------------------------------------------... | |||||||||
2,006,736 | 13.497 | 0.005 | 4.5178 | 0.0011 | 13.211 | 0.004 | 90 | null | 118.8 | 0.02 | 90 | null | 705.9 | 0.4 | 133 | 2 | 133 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C8 H10 O2 - | - C8 H10 O2 - | - C32 H40 O8 - | 4 | 1 | TA1089 | Gainsford, Graeme J.; Miller, Ian J.; Yorke, Selwyn C.; Rae, A. David | Pseudosymmetry in 2,5-Dimethyl-1,4-benzenediol | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1673 | 1675 | 10.1107/S0108270197007191 | 0.71069 | MoKα | 0.056 | 0.037 | null | 0.094 | 0.086 | null | null | null | 0.975 | 1.075 | 1.075 | null | null | null | has coordinates | Gainsford, Graeme J.; Miller, Ian J.; Yorke, Selwyn C.; Rae, A. David
Pseudosymmetry in 2,5-Dimethyl-1,4-benzenediol
Acta Crystallographica Section C
53(11)
(1997)
1673-1675 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006736.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,737 | 10.923 | 0.004 | 11.114 | 0.001 | 13.548 | 0.004 | 90 | null | 99.52 | 0.01 | 90 | null | 1,622.1 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Calcium Potassium Tris(oxalato)chromate(III) Pentahydrate | - C6 H10 Ca Cr K O17 - | - C6 H10 Ca Cr K O17 - | - C24 H40 Ca4 Cr4 K4 O68 - | 4 | 1 | TA1140 | Masters, Vanessa; Gahan, Lawrence R.; Kennard, Colin H. L. | Calcium Potassium Tris(oxalato-<i>O</i>^1^,<i>O</i>^2^)chromate(III) Pentahydrate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1576 | 1577 | 10.1107/S0108270197007762 | 0.71073 | MoKα | 0.038 | 0.032 | null | 0.091 | 0.087 | null | null | null | 1.072 | 1.1 | 1.1 | null | null | null | has coordinates | Masters, Vanessa; Gahan, Lawrence R.; Kennard, Colin H. L.
Calcium Potassium Tris(oxalato-<i>O</i>^1^,<i>O</i>^2^)chromate(III) Pentahydrate
Acta Crystallographica Section C
53(11)
(1997)
1576-1577 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006737.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,738 | 9.3529 | 0.0008 | 9.3529 | 0.0008 | 29.292 | 0.004 | 90 | null | 90 | null | 120 | null | 2,219.1 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 63/m | -P 6c | 176 | - Cs5 Mo21 S23 - | - Cs5 Mo21 S23 - | - Cs10 Mo42 S46 - | 2 | 0.166667 | TA1146 | Picard, S.; Gougeon, P.; Potel, M. | Cs~5~Mo~21~S~23~ | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1519 | 1521 | 10.1107/S010827019700752X | 0.71073 | MoKα | 0.0669 | 0.0284 | null | 0.0912 | 0.0881 | null | null | null | 1.107 | 1.278 | 1.278 | null | null | null | has coordinates | Picard, S.; Gougeon, P.; Potel, M.
Cs~5~Mo~21~S~23~
Acta Crystallographica Section C
53(11)
(1997)
1519-1521 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006738.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,739 | 13.32 | 0.003 | 7.729 | 0.002 | 14.785 | 0.002 | 90 | null | 90.256 | 0.014 | 90 | null | 1,522.1 | 0.6 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | calcium yttrium silicate | - Ca3 O18 Si6 Y2 - | - Ca2.997 O18 Si6 Y1.999 - | - Ca11.988 O72 Si24 Y7.996 - | 4 | 0.5 | TA1157 | Yamane, Hisanori; Nagasawa, Toru; Shimada, Masahiko; Endo, Tadashi | Ca~3~Y~2~(Si~3~O~9~)~2~ | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1533 | 1536 | 10.1107/S010827019700721X | 0.71069 | MoKα | 0.0327 | 0.0212 | null | 0.0629 | 0.0577 | null | null | null | 1.063 | 1.107 | 1.107 | null | null | null | has coordinates | Yamane, Hisanori; Nagasawa, Toru; Shimada, Masahiko; Endo, Tadashi
Ca~3~Y~2~(Si~3~O~9~)~2~
Acta Crystallographica Section C
53(11)
(1997)
1533-1536 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006739.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,740 | 5.3907 | 0.0011 | 12.68 | 0.002 | 29.152 | 0.005 | 90 | null | 90 | null | 90 | null | 1,992.7 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C18 H23 Cl N2 O8 - | - C18 H23 Cl N2 O8 - | - C72 H92 Cl4 N8 O32 - | 4 | 1 | VJ1040 | N. Srinivasan; R.K. Rajaram | <small>L</small>-Phenylalanine <small>L</small>-Phenylalaninium Perchlorate | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1711 | 1713 | 10.1107/S0108270197000577 | 0.71073 | MoKα | 0.0789 | 0.0463 | null | 0.2354 | 0.1016 | null | null | null | 1.074 | 1.151 | 1.151 | null | null | null | has coordinates | N. Srinivasan; R.K. Rajaram
<small>L</small>-Phenylalanine <small>L</small>-Phenylalaninium Perchlorate
Acta Crystallographica Section C
53(11)
(1997)
1711-1713 | 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/2/00/67/2006740.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,741 | 10.231 | 0.004 | 22.752 | 0.007 | 4.817 | 0.002 | 90 | null | 90 | null | 90 | null | 1,121.3 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 2 | P 2 2ab | 18 | - C10 H13 N5 O3 - | - C10 H13 N5 O3 - | - C40 H52 N20 O12 - | 4 | 1 | VJ1055 | P. Karthe; N. Gautham; Anil Kumar; S.B. Katti | β-<small>D</small>-3'-Deoxyadenosine (Cordycepin) | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1694 | 1696 | 10.1107/S0108270197007361 | 0.7107 | MoKα | 0.1311 | 0.0539 | null | 0.1281 | 0.091 | null | null | null | 0.844 | 0.841 | 0.841 | null | null | null | has coordinates | P. Karthe; N. Gautham; Anil Kumar; S.B. Katti
β-<small>D</small>-3'-Deoxyadenosine (Cordycepin)
Acta Crystallographica Section C
53(11)
(1997)
1694-1696 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006741.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,742 | 16.001 | 0.001 | 11.821 | 0.003 | 9.641 | 0.001 | 90 | null | 98.53 | 0.03 | 90 | null | 1,803.4 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 c 1 | C -2yc | 9 | trans-(±)-N,N'-Bis(salicylidene)-1,2-cyclohexane-diamine | - C20 H22 N2 O2 - | - C20 H22 N2 O2 - | - C80 H88 N8 O8 - | 4 | 1 | VJ1061 | Qiancai Liu; Mengxian Ding; Yonghua Lin; Yan Xing | <i>trans</i>-(±)-<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-cyclohexanediamine | Acta Crystallographica Section C | 1,997 | 53 | 11 | 1671 | 1673 | 10.1107/S0108270197008640 | 0.71073 | MoKα | 0.0638 | 0.037 | null | 0.0845 | 0.0765 | null | null | null | 0.869 | 1.014 | 1.014 | null | null | null | has coordinates | Qiancai Liu; Mengxian Ding; Yonghua Lin; Yan Xing
<i>trans</i>-(±)-<i>N</i>,<i>N</i>'-Bis(salicylidene)-1,2-cyclohexanediamine
Acta Crystallographica Section C
53(11)
(1997)
1671-1673 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006742.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,743 | 14.762 | 0.003 | 5.832 | 0.002 | 4.039 | 0.002 | 90 | null | 112.78 | 0.02 | 90 | null | 320.6 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | p-dichlorobenzene | - C6 H4 Cl2 - | - C6 H4 Cl2 - | - C12 H8 Cl4 - | 2 | 0.5 | AB1477 | Estop, Eugènia; Alvarez-Larena, Angel; Belaaraj, Abdesselam; Solans, Xavier; Labrador, Manuel | α-Phase <i>p</i>-Dichlorobenzene at 293K | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1932 | 1935 | 10.1107/S0108270197007737 | 0.71069 | MoKα | 0.0498 | 0.0495 | null | 0.1361 | 0.1355 | null | null | null | 1.069 | 1.068 | 1.068 | null | null | null | has coordinates | Estop, Eugènia; Alvarez-Larena, Angel; Belaaraj, Abdesselam; Solans, Xavier; Labrador, Manuel
α-Phase <i>p</i>-Dichlorobenzene at 293K
Acta Crystallographica Section C
53(12)
(1997)
1932-1935 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006743.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,148 | 27.516 | 0.003 | 7.0091 | 0.0008 | 20.778 | 0.003 | 90 | null | 104.38 | 0.003 | 90 | null | 3,881.7 | 0.8 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 7-(4-Fluorobenzylamino)-2-phenyl-1,2,4-triazolo[1,5-<i>a</i>][1,3,5]triazin-5- amine methanol disolvate | - C19 H22 F N7 O2 - | - C19 H22 F N7 O2 - | - C152 H176 F8 N56 O16 - | 8 | 1 | SJ5125 | Dolzhenko, Anton V.; Tan, Geok Kheng; Koh, Lip Lin; Dolzhenko, Anna V.; Chui, Wai Keung | 7-(4-Fluorobenzylamino)-2-phenyl-1,2,4-triazolo[1,5-<i>a</i>][1,3,5]triazin-5-amine methanol disolvate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1183 | o1184 | 10.1107/S1600536811014176 | 0.71073 | MoKα | 0.112 | 0.0835 | null | null | 0.1707 | 0.1826 | null | null | null | null | null | 1.199 | null | null | has coordinates,has Fobs | Dolzhenko, Anton V.; Tan, Geok Kheng; Koh, Lip Lin; Dolzhenko, Anna V.; Chui, Wai Keung
7-(4-Fluorobenzylamino)-2-phenyl-1,2,4-triazolo[1,5-<i>a</i>][1,3,5]triazin-5-amine methanol disolvate
Acta Crystallographica Section E
67(5)
(2011)
o1183-o1184 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230148.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,744 | 14.341 | 0.001 | 15.206 | 0.001 | 17.716 | 0.002 | 90 | null | 90 | null | 90 | null | 3,863.3 | 0.6 | 213 | null | 213 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | 11S,12S-trans-N,N'-dicyclohexyl-9,10-dihydro-9,10-ethanoanthracene- 11,12-dicarboxamide.cyclohexylamine.dimethylformamide. hydrogen chloride (1:1:1:1) | - C39 H57 Cl N4 O3 - | - C39 H57 Cl N4 O3 - | - C156 H228 Cl4 N16 O12 - | 4 | 1 | AB1479 | Helmle, Olga Formerly Olga Gallardo.; Csöregh, Ingeborg; Hens, Thomas; Weber, Edwin | Solid Inclusion Compounds of Chiral Roof-Shaped Diamide Hosts | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1892 | 1895 | 10.1107/S0108270197011335 | 0.71073 | MoKα | 0.167 | 0.084 | null | 0.108 | null | 0.095 | null | null | null | null | null | 1.69 | null | null | has coordinates | Helmle, Olga Formerly Olga Gallardo.; Csöregh, Ingeborg; Hens, Thomas; Weber, Edwin
Solid Inclusion Compounds of Chiral Roof-Shaped Diamide Hosts
Acta Crystallographica Section C
53(12)
(1997)
1892-1895 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006744.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,745 | 10.004 | 0.003 | 9.966 | 0.003 | 32.06 | 0.01 | 90 | null | 90 | null | 90 | null | 3,196.4 | 1.7 | 298 | null | 298 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | 11S,12S-trans-N,N'-di-t-butyl-9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxamide. dimethyl sulfuroxide.hydrogen oxide (1:2:1) | - C30 H46 N2 O5 S2 - | - C30 H46 N2 O5 S2 - | - C120 H184 N8 O20 S8 - | 4 | 1 | AB1479 | Helmle, Olga Formerly Olga Gallardo.; Csöregh, Ingeborg; Hens, Thomas; Weber, Edwin | Solid Inclusion Compounds of Chiral Roof-Shaped Diamide Hosts | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1892 | 1895 | 10.1107/S0108270197011335 | 0.71073 | MoKα | 0.163 | 0.088 | null | 0.153 | null | 0.108 | null | null | 0 | null | null | 2.193 | null | null | has coordinates | Helmle, Olga Formerly Olga Gallardo.; Csöregh, Ingeborg; Hens, Thomas; Weber, Edwin
Solid Inclusion Compounds of Chiral Roof-Shaped Diamide Hosts
Acta Crystallographica Section C
53(12)
(1997)
1892-1895 | 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/2/00/67/2006745.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,746 | 13.972 | 0.006 | 10.557 | 0.004 | 18.596 | 0.014 | 90 | null | 107.16 | 0.02 | 90 | null | 2,621 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | (8R/8S)-8-Phenyl-6-[trans-(1R/1S,2S/2R)-2-phenylcyclohexoxy]-5,8-dihydro-2H- [1,2,4]-triazolo-[1,2-a]-pyridazin-1,3-dione-water(1/1). | - C30 H31 N3 O4 - | - C30 H31 N3 O4 - | - C120 H124 N12 O16 - | 4 | 1 | AB1480 | Santiago García-Granda; Rafael Santiago-García; Angel Suárez-Sobrino; Luis Angel López | (5<i>R</i>/5<i>S</i>)-2,5-Diphenyl-7-[<i>trans</i>-(1<i>R</i>/1<i>S</i>,2<i>S</i>/2<i>R</i>)-2-phenylcyclohexyloxy]-2,3,5,8-tetrahydro-1<i>H</i>-1,2,4-triazolo[1,2-<i>a</i>]pyridazine-1,3-dione–Water (1/1): a Face-Selective Diels–Alder Reaction of 2-Alkoxy-1,3-butadiene | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1941 | 1943 | 10.1107/S0108270197007853 | 0.71073 | MoKα | 0.19 | 0.0548 | null | 0.1855 | 0.134 | null | null | null | 1.011 | 1.175 | 1.175 | null | null | null | has coordinates | Santiago García-Granda; Rafael Santiago-García; Angel Suárez-Sobrino; Luis Angel López
(5<i>R</i>/5<i>S</i>)-2,5-Diphenyl-7-[<i>trans</i>-(1<i>R</i>/1<i>S</i>,2<i>S</i>/2<i>R</i>)-2-phenylcyclohexyloxy]-2,3,5,8-tetrahydro-1<i>H</i>-1,2,4-triazolo[1,2-<i>a</i>]pyridazine-1,3-dione–Water (1/1): a Face-Selective Diels–Ald... | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006746.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,747 | 12.4501 | 0.0009 | 18.6708 | 0.0011 | 7.984 | 0.0009 | 90 | null | 90 | null | 90 | null | 1,855.9 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C16 H28 N2 O4 Pt - | - C16 H28 N2 O4 Pt - | - C64 H112 N8 O16 Pt4 - | 4 | 1 | AB1481 | Yuge, Hidetaka; Miyamoto, Takeshi Ken | Dual Behaviour of Acetylacetonate Anions in the Hydrogen-Bonded Supramolecular Structure (Acetylacetonato-<i>O</i>,<i>O</i>')[<i>trans</i>-(1<i>R</i>,2<i>R</i>)-diaminocyclohexane-<i>N</i>,<i>N</i>']platinum(II) Acetylacetonate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1816 | 1819 | 10.1107/S0108270197010792 | 0.71069 | MoKα | null | 0.0309 | null | null | 0.0615 | 0.0657 | null | null | null | 1.028 | 1.028 | 1.024 | null | null | has coordinates | Yuge, Hidetaka; Miyamoto, Takeshi Ken
Dual Behaviour of Acetylacetonate Anions in the Hydrogen-Bonded Supramolecular Structure (Acetylacetonato-<i>O</i>,<i>O</i>')[<i>trans</i>-(1<i>R</i>,2<i>R</i>)-diaminocyclohexane-<i>N</i>,<i>N</i>']platinum(II) Acetylacetonate
Acta Crystallographica Section C
53(12)
(1997)
1816-18... | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006747.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,748 | 7.634 | 0.004 | 8.243 | 0.009 | 8.507 | 0.007 | 69.1 | 0.08 | 64.97 | 0.05 | 72.96 | 0.07 | 446.7 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2-(Acetyl)-3-(5-cyano-2-furyl)propenenitrile | - C10 H6 N2 O2 - | - C10 H6 N2 O2 - | - C20 H12 N4 O4 - | 2 | 1 | AB1486 | Viktor Vrábel; Július Sivý; Štefan Marchalín | 2-Acetyl-3-(5-cyano-2-furyl)propenenitrile | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1926 | 1927 | 10.1107/S0108270197010809 | 0.71069 | MoKα | 0.0882 | 0.0384 | null | 0.0973 | 0.09 | null | null | null | 0.941 | 1.196 | 1.196 | null | null | null | has coordinates | Viktor Vrábel; Július Sivý; Štefan Marchalín
2-Acetyl-3-(5-cyano-2-furyl)propenenitrile
Acta Crystallographica Section C
53(12)
(1997)
1926-1927 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006748.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,147 | 12.3481 | 0.0003 | 18.1697 | 0.0004 | 21.5295 | 0.0005 | 93.494 | 0.001 | 103.23 | 0.001 | 90.383 | 0.001 | 4,692.39 | 0.19 | 100 | 1 | 100 | 1 | null | null | null | null | 6 | P -1 | -P 1 | 2 | [μ-Bis(diphenylarsanyl)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-(triisopropyl phosphite-3κ<i>P</i>)-<i>triangulo</i>-triruthenium(0) | - C43 H43 As2 O12 P Ru3 - | - C43 H43 As2 O12 P Ru3 - | - C172 H172 As8 O48 P4 Ru12 - | 4 | 2 | SJ5121 | bin Shawkataly, Omar; Alam, Mohd. Gulfam; Yeap, Chin Sing; Fun, Hoong-Kun | [μ-Bis(diphenylarsanyl)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-(triisopropyl phosphite-3κ<i>P</i>)-<i>triangulo</i>-triruthenium(0) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m545 | m546 | 10.1107/S1600536811012050 | 0.71073 | MoKα | 0.032 | 0.0239 | null | null | 0.0517 | 0.0545 | null | null | null | null | null | 1.01 | null | null | has coordinates,has Fobs | bin Shawkataly, Omar; Alam, Mohd. Gulfam; Yeap, Chin Sing; Fun, Hoong-Kun
[μ-Bis(diphenylarsanyl)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl-1κ^3^C,2κ^3^C,3κ^3^C-(triisopropyl phosphite-3κ<i>P</i>)-<i>triangulo</i>-triruthenium(0)
Acta Crystallographica Section E
67(5)
(2011)
m545-m546 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230147.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,749 | 7.552 | 0.003 | 8.172 | 0.001 | 15.624 | 0.003 | 90 | null | 99.29 | 0.02 | 90 | null | 951.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 2-methyl-5,8-dioxo-5,8-dihydro-furo[3,2-g]chromone | - C12 H6 O5 - | - C12 H6 O5 - | - C48 H24 O20 - | 4 | 1 | AB1487 | Yakoubi, Abderrahman; Jalel Eddine Hila; Habib, Boughzala; Bizid, Abdelmalek | The Khellin Quinone | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1949 | 1950 | 10.1107/S0108270197010160 | 0.71069 | MoKα | 0.0799 | 0.0464 | null | 0.1205 | 0.1035 | null | null | null | 1.093 | 1.19 | 1.19 | null | null | null | has coordinates | Yakoubi, Abderrahman; Jalel Eddine Hila; Habib, Boughzala; Bizid, Abdelmalek
The Khellin Quinone
Acta Crystallographica Section C
53(12)
(1997)
1949-1950 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006749.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,750 | 10.64 | 0.002 | 5.987 | 0.002 | 12.726 | 0.003 | 90 | null | 104.556 | 0.003 | 90 | null | 784.6 | 0.4 | 294 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C8 H12 O2 - | - C8 H12 O2 - | - C32 H48 O8 - | 4 | 1 | AB1495 | Ülkü, Dinçer; Tahir, M. Nawaz; Tanyeli, Cihangir; Demir, Ayhan S.; Dikici, Emre | 2-Hydroxy-5,5-dimethylcyclohex-2-en-1-one | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1998 | 1999 | 10.1107/S0108270197012079 | 0.71069 | MoKα | null | 0.048 | null | null | 0.054 | null | null | null | null | 0.85 | 0.85 | null | null | null | has coordinates | Ülkü, Dinçer; Tahir, M. Nawaz; Tanyeli, Cihangir; Demir, Ayhan S.; Dikici, Emre
2-Hydroxy-5,5-dimethylcyclohex-2-en-1-one
Acta Crystallographica Section C
53(12)
(1997)
1998-1999 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006750.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,751 | 10.903 | 0.002 | 8.603 | 0.002 | 26.175 | 0.005 | 90 | null | 90 | null | 90 | null | 2,455.2 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | N^1^, N^2^-Diphenylacetamidine | - C14 H14 N2 - | - C14 H14 N2 - | - C112 H112 N16 - | 8 | 1 | AB1499 | Phillips, Paul R.; Barker, James; Errington, William; Wallbridge, Malcolm G.H. | <i>N</i>^1^,<i>N</i>^2^-Diphenylacetamidine | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1968 | 1971 | 10.1107/S0108270197011347 | 0.71073 | MoKα | 0.1382 | 0.0453 | null | 0.1079 | 0.0926 | null | null | null | 0.672 | 1.117 | 1.117 | null | null | null | has coordinates,has Fobs | Phillips, Paul R.; Barker, James; Errington, William; Wallbridge, Malcolm G.H.
<i>N</i>^1^,<i>N</i>^2^-Diphenylacetamidine
Acta Crystallographica Section C
53(12)
(1997)
1968-1971 | 301,791 | 2025-08-18 | 23:15:29 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/67/2006751.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,752 | 18.676 | 0.005 | 12.553 | 0.004 | 16.657 | 0.003 | 90 | null | 130.134 | 0.008 | 90 | null | 2,985.6 | 1.4 | 293 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | catena-poly[cadmium(II)-[bis-μ-(1,3-di-(4-pyridyl)propane-N:N') -μ-cyano-C,N-silver(I)-μ-cyano-C,N]] | - C30 H28 Ag2 Cd N8 - | - C30 H28 Ag2 Cd N8 - | - C120 H112 Ag8 Cd4 N32 - | 4 | 0.5 | AV1010 | Soma, Takayoshi; Iwamoto, Toschitake | Doubly Interpenetrating Three-Dimensional Framework Structure of <i>trans</i>-[Cd(dppn)~2~{Ag(CN)~2~}~2~]~<i>n~</i> [dppn = 1,3-Di(4-pyridyl)propane] | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1819 | 1821 | 10.1107/S0108270197010196 | 0.71069 | MoKα | null | 0.0574 | null | null | 0.0488 | null | null | null | null | 0.93 | 0.93 | null | null | null | has coordinates | Soma, Takayoshi; Iwamoto, Toschitake
Doubly Interpenetrating Three-Dimensional Framework Structure of <i>trans</i>-[Cd(dppn)~2~{Ag(CN)~2~}~2~]~<i>n~</i> [dppn = 1,3-Di(4-pyridyl)propane]
Acta Crystallographica Section C
53(12)
(1997)
1819-1821 | 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/2/00/67/2006752.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,146 | 6.24 | 0.0012 | 10.611 | 0.002 | 17.189 | 0.003 | 90 | null | 100.35 | 0.03 | 90 | null | 1,119.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Methyl 4-(3-chloropropoxy)benzoate | - C11 H13 Cl O3 - | - C11 H13 Cl O3 - | - C44 H52 Cl4 O12 - | 4 | 1 | SJ5116 | Shi, Ya-Bin; Liu, Ke-Ke; Xia, Song; He, Fei-Fei; Wang, Hai-Bo | Methyl 4-(3-chloropropoxy)benzoate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1052 | 10.1107/S1600536811011093 | 0.71073 | MoKα | 0.0688 | 0.0442 | null | null | 0.1156 | 0.1321 | null | null | null | null | null | 1.001 | null | null | has coordinates,has Fobs | Shi, Ya-Bin; Liu, Ke-Ke; Xia, Song; He, Fei-Fei; Wang, Hai-Bo
Methyl 4-(3-chloropropoxy)benzoate
Acta Crystallographica Section E
67(5)
(2011)
o1052 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230146.cif $
#-------------------------------------------------------------------... |