file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,012,560 | 7.2621 | 0.0006 | 7.2621 | 0.0006 | 10.4415 | 0.0009 | 90 | null | 90 | null | 120 | null | 476.89 | 0.07 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | R -3 m :H | -R 3 2" | 166 | trimercury aluminium hydrogen hexafluoride dioxide | - Al F6 H Hg3 O2 - | - Al F6 Hg3 O2 - | - Al3 F18 Hg9 O6 - | 3 | 0.083333 | BR1353 | Weil, Matthias | Hg~3~AlF~6~O~2~H, a structure with a short interpolyhedral O···O distance | Acta Crystallographica Section C | 2,002 | 58 | 3 | i37 | i39 | 10.1107/S0108270102000690 | 0.71073 | MoKα | 0.014 | 0.014 | null | null | 0.027 | 0.027 | null | null | null | null | null | 1.194 | null | null | has coordinates,has Fobs | Weil, Matthias
Hg~3~AlF~6~O~2~H, a structure with a short interpolyhedral O···O distance
Acta Crystallographica Section C
58(3)
(2002)
i37-i39 | 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/2/01/25/2012560.cif $
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2,012,561 | 9.635 | 0.0005 | 22.0785 | 0.0011 | 15.5217 | 0.0008 | 90 | null | 91.818 | 0.001 | 90 | null | 3,300.2 | 0.3 | 203 | 2 | 203 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C14 H42 Cl4 O7 S7 U - | - C14 H42 Cl4 O7 S7 U - | - C56 H168 Cl16 O28 S28 U4 - | 4 | 1 | DA1197 | Warren J. Oldham; Brian L. Scott; Kent D. Abney; Wayne H. Smith; David A. Costa | Chloroheptakis(dimethyl sulfoxide)uranium(IV) trichloride | Acta Crystallographica Section C | 2,002 | 58 | 3 | m139 | m140 | 10.1107/S0108270101020492 | 0.71073 | MoKα | 0.0291 | 0.0229 | null | null | 0.0532 | 0.0557 | null | null | null | null | null | 0.989 | null | null | has coordinates,has Fobs | Warren J. Oldham; Brian L. Scott; Kent D. Abney; Wayne H. Smith; David A. Costa
Chloroheptakis(dimethyl sulfoxide)uranium(IV) trichloride
Acta Crystallographica Section C
58(3)
(2002)
m139-m140 | 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/2/01/25/2012561.cif $
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2,012,562 | 10.701 | 0.005 | 9.949 | 0.005 | 13.888 | 0.005 | 90 | null | 90 | null | 90 | null | 1,478.6 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1,3-Bis(2,4-dibromophenyl)triazene | - C12 H7 Br4 N3 - | - C12 H7 Br4 N3 - | - C48 H28 Br16 N12 - | 4 | 1 | DA1213 | Hörner, Manfredo; Casagrande, Ivan C.; Bordinhao, Jairo; Mössmer, Cäcilia M. | 1,3-Bis(2,4-dibromophenyl)triazene | Acta Crystallographica Section C | 2,002 | 58 | 3 | o193 | o194 | 10.1107/S0108270102001683 | 0.71069 | MoKα | 0.084 | 0.043 | null | null | 0.098 | 0.111 | null | null | null | null | null | 1.02 | null | null | has coordinates,has Fobs | Hörner, Manfredo; Casagrande, Ivan C.; Bordinhao, Jairo; Mössmer, Cäcilia M.
1,3-Bis(2,4-dibromophenyl)triazene
Acta Crystallographica Section C
58(3)
(2002)
o193-o194 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,563 | 8.002 | 0.0001 | 13.304 | 0.0004 | 26.723 | 0.0006 | 83.427 | 0.002 | 85.045 | 0.001 | 74.051 | 0.001 | 2,712.91 | 0.11 | 120 | 2 | 120 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | catena-poly[[tetrakis(decanoato-κ^2^O:O')diruthenium(II,III)(Ru-Ru)]- μ-octanesulfonato-κ^2^-O:O'] | - C48 H93 O11 Ru2 S - | - C48 H93 O11 Ru2 S - | - C96 H186 O22 Ru4 S2 - | 2 | 1 | DA1217 | Zelcer, Andrés; Chaia, Zulema Débora; Cukiernik, Fabio D.; Catellano, Eduardo E.; Piro, Oscar E. | A liquid crystal derived from ruthenium(II,III) and a long-chain carboxylate | Acta Crystallographica Section C | 2,002 | 58 | 3 | m144 | m146 | 10.1107/S0108270101021540 | 0.71073 | MoKα | 0.081 | 0.049 | null | null | 0.121 | 0.155 | null | null | null | null | null | 1.11 | null | null | has coordinates,has disorder,has Fobs | Zelcer, Andrés; Chaia, Zulema Débora; Cukiernik, Fabio D.; Catellano, Eduardo E.; Piro, Oscar E.
A liquid crystal derived from ruthenium(II,III) and a long-chain carboxylate
Acta Crystallographica Section C
58(3)
(2002)
m144-m146 | 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/2/01/25/2012563.cif $
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2,012,564 | 13.738 | 0.003 | 7.4751 | 0.0016 | 17.1566 | 0.0018 | 90 | null | 110.117 | 0.013 | 90 | null | 1,654.4 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1,3-dimethyl-2-oxo-4,6-diphenyl-1,2,3,4-tetrahydropyridine-3-carbonitrile | - C20 H18 N2 O - | - C20 H18 N2 O1.013 - | - C80 H72 N8 O4.052 - | 4 | 1 | DE1177 | Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C. | 1,3-Dimethyl-2-oxo-4,6-diphenyl-1,2,3,4-tetrahydropyridine-3-carbonitrile | Acta Crystallographica Section C | 2,002 | 58 | 3 | o191 | o192 | 10.1107/S0108270102000185 | 1.5418 | CuKα | 0.054 | 0.046 | null | null | 0.133 | 0.141 | null | null | null | null | null | 1.055 | null | null | has coordinates,has Fobs | Patel, Urmila H.; Dave, Chaitanya G.; Jotani, Mukesh M.; Shah, Hetal C.
1,3-Dimethyl-2-oxo-4,6-diphenyl-1,2,3,4-tetrahydropyridine-3-carbonitrile
Acta Crystallographica Section C
58(3)
(2002)
o191-o192 | 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/2/01/25/2012564.cif $
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2,012,565 | 12.504 | 0.0007 | 7.517 | 0.0005 | 13.0894 | 0.0005 | 90 | null | 113.237 | 0.003 | 90 | null | 1,130.5 | 0.11 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Trichloro(N, N-dimethylbiguanidium)zinc(II) | Trichloro(1,1-dimethylbiguanidium-κN^3^)zinc(II) | - C4 H12 Cl3 N5 Zn - | - C4 H12 Cl3 N5 Zn - | - C16 H48 Cl12 N20 Zn4 - | 4 | 1 | DE1178 | Zhu, Miaoli; Lu, Liping; Jin, Xianglin; Yang, Pin | Trichloro(1,1-dimethylbiguanidium-κ<i>N</i>^3^)zinc(II) | Acta Crystallographica Section C | 2,002 | 58 | 3 | m158 | m159 | 10.1107/S0108270102000549 | 0.71073 | MoKα | 0.031 | 0.022 | null | null | 0.046 | 0.048 | null | null | null | null | null | 0.943 | null | null | has coordinates,has Fobs | Zhu, Miaoli; Lu, Liping; Jin, Xianglin; Yang, Pin
Trichloro(1,1-dimethylbiguanidium-κ<i>N</i>^3^)zinc(II)
Acta Crystallographica Section C
58(3)
(2002)
m158-m159 | 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/2/01/25/2012565.cif $
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2,012,566 | 7.7638 | 0.001 | 8.4584 | 0.001 | 33.22 | 0.005 | 90 | null | 90 | null | 90 | null | 2,181.5 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 2 21 21 | P 2bc 2 | 18 | 4-(3,17-Dioxoandrost-4-en-16-ylidenemethyl)benzonitrile | - C27 H29 N O2 - | - C27 H29 N O2 - | - C108 H116 N4 O8 - | 4 | 1 | DE1179 | Vasuki, G; Parthasarathi, V; Ramamurthi, K; Jindal, D. P; Dubey, S | 4-(3,17-Dioxoandrost-4-en-16-ylidenemethyl)benzonitrile | Acta Crystallographica Section C | 2,002 | 58 | 3 | o162 | o163 | 10.1107/S0108270102000197 | 1.5418 | CuKα | 0.052 | 0.039 | null | null | 0.092 | 0.105 | null | null | null | null | null | 1.108 | null | null | has coordinates,has Fobs | Vasuki, G; Parthasarathi, V; Ramamurthi, K; Jindal, D. P; Dubey, S
4-(3,17-Dioxoandrost-4-en-16-ylidenemethyl)benzonitrile
Acta Crystallographica Section C
58(3)
(2002)
o162-o163 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/25/2012566.cif $
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2,012,567 | 6.537 | 0.001 | 8.95 | 0.001 | 51.128 | 0.009 | 90 | null | 90 | null | 90 | null | 2,991.3 | 0.8 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Methyl 2-cyano-3,12-dioxooleana-1,9(11)-diene-28-oate | - C33 H49 N O6 - | - C33 H49 N O6 - | - C132 H196 N4 O24 - | 4 | 1 | FR1352 | Bore, Lothar; Honda, Tadashi; Gribble, Gordon W.; Lork, Enno; Jasinski, Jerry P. | The anti-inflammatory triterpenoid methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate methanol solvate hydrate | Acta Crystallographica Section C | 2,002 | 58 | 3 | o199 | o200 | 10.1107/S010827010102176X | 0.71073 | MoKα | 0.105 | 0.07 | null | null | 0.183 | 0.2112 | null | null | null | null | null | 1.051 | null | null | has coordinates,has Fobs | Bore, Lothar; Honda, Tadashi; Gribble, Gordon W.; Lork, Enno; Jasinski, Jerry P.
The anti-inflammatory triterpenoid methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate methanol solvate hydrate
Acta Crystallographica Section C
58(3)
(2002)
o199-o200 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/25/2012567.cif $
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2,012,568 | 6.3346 | 0.0017 | 10.758 | 0.003 | 11.012 | 0.003 | 90 | null | 94.202 | 0.017 | 90 | null | 748.4 | 0.4 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | cyclohexanone-3-carboxylic acid | (±)-3-Oxocyclohexanecarboxylic acid | - C7 H10 O3 - | - C7 H10 O3 - | - C28 H40 O12 - | 4 | 1 | FR1356 | Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W. | (<b>±</b>)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids | Acta Crystallographica Section C | 2,002 | 58 | 3 | o154 | o156 | 10.1107/S0108270101020595 | 0.71073 | MoKα | 0.085 | 0.049 | null | null | 0.105 | 0.122 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.
(<b>±</b>)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids
Acta Crystallographica Section C
58(3)
(2002)
o154-o156 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/25/2012568.cif $
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2,012,569 | 6.625 | 0.002 | 5.669 | 0.001 | 21.841 | 0.005 | 90 | null | 90.33 | 0.02 | 90 | null | 820.3 | 0.3 | 241 | 2 | 241 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | cyclohexanone-3-acetic acid | (±)-3-Oxocyclohexaneacetic acid | - C8 H12 O3 - | - C8 H12 O3 - | - C32 H48 O12 - | 4 | 1 | FR1356 | Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W. | (<b>±</b>)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids | Acta Crystallographica Section C | 2,002 | 58 | 3 | o154 | o156 | 10.1107/S0108270101020595 | 0.71073 | MoKα | 0.085 | 0.054 | null | null | 0.126 | 0.143 | null | null | null | null | null | 1.01 | null | null | has coordinates,has Fobs | Barcon, Alan; Brunskill, Andrew P. J.; Lalancette, Roger A.; Thompson, Hugh W.
(<b>±</b>)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids
Acta Crystallographica Section C
58(3)
(2002)
o154-o156 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/25/2012569.cif $
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2,012,570 | 7.3355 | 0.0003 | 9.4033 | 0.0004 | 14.1728 | 0.0007 | 90 | null | 90 | null | 90 | null | 977.61 | 0.08 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P n c 2 | P 2 -2bc | 30 | pyridinium tetrachloro(oxo)pyridineniobate(V) pyridine solvate | - C15 H16 Cl4 N3 Nb O - | - C15 H16 Cl4 N3 Nb O - | - C30 H32 Cl8 N6 Nb2 O2 - | 2 | 0.5 | FR1359 | Guzei, Ilia A.; Roberts, John; Saulys, Dovas A. | Pseudosymmetry in pyridinium tetrachloro(oxo)pyridineniobate(V) pyridine solvate | Acta Crystallographica Section C | 2,002 | 58 | 3 | m141 | m143 | 10.1107/S0108270101021886 | 0.71073 | MoKα | 0.02 | 0.02 | null | null | 0.054 | 0.054 | null | null | null | null | null | 1.044 | null | null | has coordinates,has Fobs | Guzei, Ilia A.; Roberts, John; Saulys, Dovas A.
Pseudosymmetry in pyridinium tetrachloro(oxo)pyridineniobate(V) pyridine solvate
Acta Crystallographica Section C
58(3)
(2002)
m141-m143 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/25/2012570.cif $
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2,012,571 | 11.678 | 0.003 | 11.678 | 0.002 | 8.6608 | 0.0012 | 90 | null | 90 | null | 90 | null | 1,181.1 | 0.4 | 293 | 2 | null | null | null | null | null | null | 5 | P 43 21 2 | P 4nw 2abw | 96 | - C12 H8 N2 Ni O4 - | - C12 H8 N2 Ni O4 - | - C48 H32 N8 Ni4 O16 - | 4 | 0.5 | FR1362 | Lu, Tong-Bu; Luck, Rudy L. | Interpenetrating nets in <i>cis</i>-bis(pyridine-4-carboxylate)nickel(II) | Acta Crystallographica Section C | 2,002 | 58 | 3 | m152 | m154 | 10.1107/S0108270102000859 | 0.71069 | MoKα | null | 0.029 | null | null | null | 0.092 | null | null | null | null | null | 1.18 | null | null | has coordinates,has Fobs | Lu, Tong-Bu; Luck, Rudy L.
Interpenetrating nets in <i>cis</i>-bis(pyridine-4-carboxylate)nickel(II)
Acta Crystallographica Section C
58(3)
(2002)
m152-m154 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012571.cif $
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2,012,572 | 13.393 | 0.003 | 9.233 | 0.002 | 14.162 | 0.003 | 90 | null | 91.81 | 0.03 | 90 | null | 1,750.4 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2-Methylphenyl 2-methoxyacridine-9-carboxylate | - C22 H17 N O3 - | - C22 H17 N O3 - | - C88 H68 N4 O12 - | 4 | 1 | GD1177 | Meszko, Joanna; Krzymiński, Karol; Konitz, Antoni; Błażejowski, Jerzy | 2-Methylphenyl 2-methoxyacridine-9-carboxylate | Acta Crystallographica Section C | 2,002 | 58 | 3 | o157 | o158 | 10.1107/S0108270102000574 | 0.71073 | MoKα | 0.096 | 0.053 | null | null | 0.129 | 0.153 | null | null | null | null | null | 1.025 | null | null | has coordinates,has Fobs | Meszko, Joanna; Krzymiński, Karol; Konitz, Antoni; Błażejowski, Jerzy
2-Methylphenyl 2-methoxyacridine-9-carboxylate
Acta Crystallographica Section C
58(3)
(2002)
o157-o158 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/25/2012572.cif $
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2,012,573 | 7.2398 | 0.0011 | 8.6611 | 0.0012 | 11.0585 | 0.0018 | 107.84 | 0.012 | 106.719 | 0.013 | 97.729 | 0.011 | 613.04 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | 2-amino-4-(2-chloro-4,5-dimethoxyphenyl)-1,3-thiazole | - C11 H11 Cl N2 O2 S - | - C11 H11 Cl N2 O2 S - | - C22 H22 Cl2 N4 O4 S2 - | 2 | 1 | GD1182 | Bernès, Sylvain; Berros, Martha I.; Rodríguez de Barbarín, Cecilia; Sánchez-Viesca, Francisco | Flat <i>versus</i> twisted rotamers of 2,4-disubstituted thiazoles: the effect of intermolecular hydrogen bonds | Acta Crystallographica Section C | 2,002 | 58 | 3 | o151 | o153 | 10.1107/S0108270102000598 | 0.71073 | MoKα | 0.089 | 0.051 | null | null | 0.098 | 0.113 | null | null | null | null | null | 1.039 | null | null | has coordinates,has Fobs | Bernès, Sylvain; Berros, Martha I.; Rodríguez de Barbarín, Cecilia; Sánchez-Viesca, Francisco
Flat <i>versus</i> twisted rotamers of 2,4-disubstituted thiazoles: the effect of intermolecular hydrogen bonds
Acta Crystallographica Section C
58(3)
(2002)
o151-o153 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/25/2012573.cif $
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2,012,574 | 7.3379 | 0.0009 | 19.242 | 0.002 | 8.7798 | 0.0008 | 90 | null | 93.738 | 0.009 | 90 | null | 1,237 | 0.2 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | 4-(2-chloro-4,5-dimethoxyphenyl)-2-methyl-1,3-thiazole | - C12 H12 Cl N O2 S - | - C12 H12 Cl N O2 S - | - C48 H48 Cl4 N4 O8 S4 - | 4 | 1 | GD1182 | Bernès, Sylvain; Berros, Martha I.; Rodríguez de Barbarín, Cecilia; Sánchez-Viesca, Francisco | Flat <i>versus</i> twisted rotamers of 2,4-disubstituted thiazoles: the effect of intermolecular hydrogen bonds | Acta Crystallographica Section C | 2,002 | 58 | 3 | o151 | o153 | 10.1107/S0108270102000598 | 0.71073 | MoKα | 0.056 | 0.041 | null | null | 0.108 | 0.119 | null | null | null | null | null | 1.076 | null | null | has coordinates,has Fobs | Bernès, Sylvain; Berros, Martha I.; Rodríguez de Barbarín, Cecilia; Sánchez-Viesca, Francisco
Flat <i>versus</i> twisted rotamers of 2,4-disubstituted thiazoles: the effect of intermolecular hydrogen bonds
Acta Crystallographica Section C
58(3)
(2002)
o151-o153 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/25/2012574.cif $
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2,012,575 | 4.4432 | 0.0002 | 14.8002 | 0.0007 | 9.5955 | 0.0005 | 90 | null | 94.072 | 0.001 | 90 | null | 629.41 | 0.05 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Strontium manganese diselenite | - Mn O6 Se2 Sr - | - Mn O6 Se2 Sr - | - Mn4 O24 Se8 Sr4 - | 4 | 1 | GD1190 | Johnston, Magnus G.; Harrison, William T. A. | Strontium manganese diselenite, SrMn(SeO~3~)~2~, containing unusual MnO~5+1~ polyhedra | Acta Crystallographica Section C | 2,002 | 58 | 3 | i33 | i34 | 10.1107/S0108270102001208 | 0.71073 | MoKα | 0.046 | 0.036 | null | null | 0.087 | 0.09 | null | null | null | null | null | 1.008 | null | null | has coordinates,has Fobs | Johnston, Magnus G.; Harrison, William T. A.
Strontium manganese diselenite, SrMn(SeO~3~)~2~, containing unusual MnO~5+1~ polyhedra
Acta Crystallographica Section C
58(3)
(2002)
i33-i34 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,012,576 | 11.9085 | 0.0015 | 5.5168 | 0.0007 | 12.2376 | 0.0015 | 90 | null | 94.67 | 0.03 | 90 | null | 801.3 | 0.18 | 123 | 2 | 123 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 4-Trifluoromethylphenylacetonitrile | [4-(trifluoromethyl)phenyl]acetonitrile | - C9 H6 F3 N - | - C9 H6 F3 N - | - C36 H24 F12 N4 - | 4 | 1 | GG1095 | Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W. | [4-(Trifluoromethyl)phenyl]acetonitrile | Acta Crystallographica Section C | 2,002 | 58 | 3 | o145 | o147 | 10.1107/S0108270102000707 | 0.71073 | MoKα | 0.0556 | 0.0439 | null | null | 0.1187 | 0.1248 | null | null | null | null | null | 1.002 | null | null | has coordinates,has Fobs | Boitsov, Stepan; Songstad, Jon; Törnroos, Karl W.
[4-(Trifluoromethyl)phenyl]acetonitrile
Acta Crystallographica Section C
58(3)
(2002)
o145-o147 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,577 | 13.0928 | 0.0002 | 12.6946 | 0.0002 | 13.2335 | 0.0002 | 90 | null | 90 | null | 90 | null | 2,199.51 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | Tetrakis(chloromethyl)phosphonium chloride monohydrate | - C4 H10 Cl5 O P - | - C4 H10 Cl5 O P - | - C32 H80 Cl40 O8 P8 - | 8 | 1 | GG1097 | Weisbarth, Ralf; Jansen, Martin | Tetrakis(chloromethyl)phosphonium chloride monohydrate | Acta Crystallographica Section C | 2,002 | 58 | 3 | o189 | o190 | 10.1107/S0108270102001543 | 0.71073 | MoKα | 0.031 | 0.026 | null | null | 0.059 | 0.062 | null | null | null | null | null | 1.078 | null | null | has coordinates,has Fobs | Weisbarth, Ralf; Jansen, Martin
Tetrakis(chloromethyl)phosphonium chloride monohydrate
Acta Crystallographica Section C
58(3)
(2002)
o189-o190 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,578 | 11.3791 | 0.0004 | 6.00794 | 0.00015 | 5.1456 | 0.0003 | 90 | null | 113.202 | 0.003 | 90 | null | 323.33 | 0.02 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | mercury(II) tungstate(VI) | - Hg O4 W - | - Hg O4 W - | - Hg4 O16 W4 - | 4 | 0.5 | IZ1018 | Åsberg Dahlborg, Magnus B.; Svensson, Göran | HgWO~4~ synthesized at high pressure and temperature | Acta Crystallographica Section C | 2,002 | 58 | 3 | i35 | i36 | 10.1107/S0108270102000379 | 0.71073 | MoKα | 0.035 | 0.027 | null | null | 0.068 | 0.07 | null | null | null | null | null | 1.099 | null | null | has coordinates,has Fobs | Åsberg Dahlborg, Magnus B.; Svensson, Göran
HgWO~4~ synthesized at high pressure and temperature
Acta Crystallographica Section C
58(3)
(2002)
i35-i36 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/25/2012578.cif $
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2,012,579 | 8.5397 | 0.0014 | 7.1025 | 0.0014 | 10.7187 | 0.0016 | 90 | null | 107.46 | 0.013 | 90 | null | 620.17 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 9-(2-deoxy-α-D-ribofuranosyl)-5-aza-7-deazaguanine | 2-amino-8-(2-deoxy-α-D-erythro-pentofuranosyl) -8H-imidazo[1,2-a][1,3,5]triazin-4-one monohydrate | - C10 H15 N5 O5 - | - C10 H15 N5 O5 - | - C20 H30 N10 O10 - | 2 | 1 | JZ1477 | Seela, Frank; Rosemeyer, Helmut; Melenewski, Alexander; Heithoff, Eva-Maria; Eickmeier, Henning; Reuter, Hans | The α-<small>D</small> anomer of 5-aza-7-deaza-2'-deoxyguanosine | Acta Crystallographica Section C | 2,002 | 58 | 3 | o142 | o144 | 10.1107/S0108270101021916 | 0.71073 | MoKα | 0.0319 | 0.0297 | null | null | 0.074 | 0.0762 | null | null | null | null | null | 1.093 | null | null | has coordinates,has Fobs | Seela, Frank; Rosemeyer, Helmut; Melenewski, Alexander; Heithoff, Eva-Maria; Eickmeier, Henning; Reuter, Hans
The α-<small>D</small> anomer of 5-aza-7-deaza-2'-deoxyguanosine
Acta Crystallographica Section C
58(3)
(2002)
o142-o144 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/25/2012579.cif $
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2,012,580 | 19.476 | 0.002 | 8.2737 | 0.0004 | 21.786 | 0.002 | 90 | null | 107.583 | 0.002 | 90 | null | 3,346.6 | 0.5 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | poly[[aquabis(1,2-diaminoethane)copper(II)] [bis(1,2-diaminoethane)hexa-μ-cyano-tetracyanotricopper(II)dinickel(II) dihydrate] | - C18 H38 Cu4 N18 Ni2 O3 - | - C18 H37.774 Cu4 N18 Ni2 O3 - | - C72 H151.096 Cu16 N72 Ni8 O12 - | 4 | 1 | JZ1484 | Černák, Juraj; Abboud, Khalil A. | Three different bonding modes of cyano groups in the coordination polymer [Cu(en)~2~(H~2~O)][Cu(en)~2~Ni~2~Cu~2~(CN)~10~]·2H~2~O (en is 1,2-diaminoethane) | Acta Crystallographica Section C | 2,002 | 58 | 3 | m167 | m170 | 10.1107/S0108270101021898 | 0.71073 | MoKα | 0.098 | 0.044 | null | null | 0.088 | 0.108 | null | null | null | null | null | 0.919 | null | null | has coordinates,has disorder,has Fobs | Černák, Juraj; Abboud, Khalil A.
Three different bonding modes of cyano groups in the coordination polymer [Cu(en)~2~(H~2~O)][Cu(en)~2~Ni~2~Cu~2~(CN)~10~]·2H~2~O (en is 1,2-diaminoethane)
Acta Crystallographica Section C
58(3)
(2002)
m167-m170 | 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/2/01/25/2012580.cif $
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2,012,581 | 4.9211 | 0.0001 | 13.3792 | 0.0002 | 20.5881 | 0.0004 | 90 | null | 90 | null | 90 | null | 1,355.53 | 0.04 | 200 | 2 | 200 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 4,5'-cyclowyosine.H~2~O | 4,5'-cyclo-3-β-D-ribofuranosyl- 4,9-dihydro-6-methyl-9-oxoimidazo[1,2-a]purine hydrate | - C13 H15 N5 O5 - | - C13 H15 N5 O5 - | - C52 H60 N20 O20 - | 4 | 1 | JZ1488 | Leban, Ivan; Golankiewicz, Boženna; Zeidler, Joanna; Giester, Gerald; Kobe, Jože | 3,4-Dihydro-6-methyl-3-β-<small>D</small>-ribofuranosyl-4,5'-cyclo-9<i>H</i>-imidazo[1,2-<i>a</i>]purin-9-one hydrate | Acta Crystallographica Section C | 2,002 | 58 | 3 | o133 | o135 | 10.1107/S0108270101021904 | 0.71073 | MoKα | 0.0383 | 0.0343 | null | null | 0.078 | 0.0799 | null | null | null | null | null | 1.039 | null | null | has coordinates,has Fobs | Leban, Ivan; Golankiewicz, Boženna; Zeidler, Joanna; Giester, Gerald; Kobe, Jože
3,4-Dihydro-6-methyl-3-β-<small>D</small>-ribofuranosyl-4,5'-cyclo-9<i>H</i>-imidazo[1,2-<i>a</i>]purin-9-one hydrate
Acta Crystallographica Section C
58(3)
(2002)
o133-o135 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/25/2012581.cif $
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2,012,582 | 7.0887 | 0.0007 | 9.9723 | 0.0009 | 14.417 | 0.0013 | 83.773 | 0.002 | 78.629 | 0.002 | 77.153 | 0.002 | 971.9 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | aquochloro(1,10-phenanthroline-N,N')(4-methylphenylsulfonate-O)copper(II) | - C19 H17 Cl Cu N2 O4 S - | - C19 H17 Cl Cu N2 O4 S - | - C38 H34 Cl2 Cu2 N4 O8 S2 - | 2 | 1 | JZ1489 | Aller, Cristina; Castro, Jesús; Pérez-Lourido, Paulo; Labisbal, Elena; García-Vázquez, José Arturo | Aquachloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(<i>p</i>-toluenesulfonato-κ<i>O</i>)copper(II) | Acta Crystallographica Section C | 2,002 | 58 | 3 | m155 | m157 | 10.1107/S0108270102000458 | 0.71073 | MoKα | 0.0509 | 0.0468 | null | null | 0.1227 | 0.1259 | null | null | null | null | null | 1.028 | null | null | has coordinates,has Fobs | Aller, Cristina; Castro, Jesús; Pérez-Lourido, Paulo; Labisbal, Elena; García-Vázquez, José Arturo
Aquachloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(<i>p</i>-toluenesulfonato-κ<i>O</i>)copper(II)
Acta Crystallographica Section C
58(3)
(2002)
m155-m157 | 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/2/01/25/2012582.cif $
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2,012,583 | 6.8193 | 0.0014 | 6.7291 | 0.0013 | 9.0902 | 0.0018 | 90 | null | 104.72 | 0.03 | 90 | null | 403.44 | 0.15 | 203 | 2 | 203 | 2 | null | null | null | null | 4 | P 1 21/m 1 | -P 2yb | 11 | Cyclohexylphosphonic acid | - C6 H13 O3 P - | - C6 H13 O3 P - | - C12 H26 O6 P2 - | 2 | 0.5 | JZ1491 | Merz, Klaus; Knüfer, Annegret | Cyclohexylphosphonic acid | Acta Crystallographica Section C | 2,002 | 58 | 3 | o187 | o188 | 10.1107/S0108270102001439 | 0.71073 | MoKα | 0.04 | 0.037 | null | null | 0.1 | 0.103 | null | null | null | null | null | 1.156 | null | null | has coordinates,has Fobs | Merz, Klaus; Knüfer, Annegret
Cyclohexylphosphonic acid
Acta Crystallographica Section C
58(3)
(2002)
o187-o188 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/25/2012583.cif $
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2,012,584 | 12.114 | 0.0006 | 12.9702 | 0.0006 | 6.5813 | 0.0003 | 90 | null | 99.646 | 0.001 | 90 | null | 1,019.44 | 0.08 | 183 | 2 | 183 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Piperazine-1,4-diium–2,4-dinitrophenolate–water (1/2/2) | - C16 H22 N6 O12 - | - C16 H22 N6 O12 - | - C32 H44 N12 O24 - | 2 | 0.5 | LN1130 | Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok | Piperazine-1,4-diium–2,4-dinitrophenolate–water (1/2/2) | Acta Crystallographica Section C | 2,002 | 58 | 3 | o136 | o138 | 10.1107/S0108270101021667 | 0.71073 | MoKα | 0.07 | 0.052 | null | null | 0.115 | 0.12 | null | null | null | null | null | 0.915 | null | null | has coordinates,has Fobs | Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok
Piperazine-1,4-diium–2,4-dinitrophenolate–water (1/2/2)
Acta Crystallographica Section C
58(3)
(2002)
o136-o138 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,585 | 8.9304 | 0.0004 | 21.3533 | 0.0012 | 7.5895 | 0.0003 | 90 | null | 90 | null | 90 | null | 1,447.27 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P n m a | -P 2ac 2n | 62 | poly[(μ~2~-thiocyanato-N,S)-bis(nicotinamide-N)copper(I) | catena-Poly[[bis(nicotinamide-κN^1^)copper(I)]-μ-thiocyanato-κ^2^N:S] | - C13 H12 Cu N5 O2 S - | - C13 H12 Cu N5 O2 S - | - C52 H48 Cu4 N20 O8 S4 - | 4 | 0.5 | LN1135 | Jeß, Inke | <i>catena</i>-Poly[[bis(nicotinamide-κ<i>N</i>^1^)copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>] | Acta Crystallographica Section C | 2,002 | 58 | 3 | m190 | m192 | 10.1107/S0108270102001592 | 0.71073 | MoKα | 0.042 | 0.03 | null | null | 0.073 | 0.078 | null | null | null | null | null | 1.104 | null | null | has coordinates,has Fobs | Jeß, Inke
<i>catena</i>-Poly[[bis(nicotinamide-κ<i>N</i>^1^)copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]
Acta Crystallographica Section C
58(3)
(2002)
m190-m192 | 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/2/01/25/2012585.cif $
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2,012,586 | 11.628 | 0.0003 | 15.0898 | 0.0003 | 25.61 | 0.0006 | 90 | null | 90.342 | 0.001 | 90 | null | 4,493.56 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | Bis[1,1'-bis(diphenylphosphino)ferrocenium] hexadecachlorotetraantimony(III) ethanol solvate | - C70 H62 Cl16 Fe2 O P4 Sb4 - | - C70 H62 Cl16 Fe2 O P4 Sb4 - | - C140 H124 Cl32 Fe4 O2 P8 Sb8 - | 2 | 0.5 | NA1547 | Razak, Ibrahim Abdul; Usman, Anwar; Fun, Hoong-Kun; Yamin, Bohari M.; Kasim, Nor Azilah | Bis[1,1'-bis(diphenylphosphino)ferrocenium] hexadecachlorotetraantimony(III) ethanol solvate | Acta Crystallographica Section C | 2,002 | 58 | 3 | m162 | m164 | 10.1107/S0108270101021370 | 0.71073 | MoKα | 0.07 | 0.042 | null | null | 0.099 | 0.108 | null | null | null | null | null | 0.962 | null | null | has coordinates,has Fobs | Razak, Ibrahim Abdul; Usman, Anwar; Fun, Hoong-Kun; Yamin, Bohari M.; Kasim, Nor Azilah
Bis[1,1'-bis(diphenylphosphino)ferrocenium] hexadecachlorotetraantimony(III) ethanol solvate
Acta Crystallographica Section C
58(3)
(2002)
m162-m164 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,587 | 7.7922 | 0.0014 | 21.538 | 0.004 | 24.351 | 0.005 | 90 | null | 98.92 | 0.02 | 90 | null | 4,037.4 | 1.4 | 293 | null | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | N-(2-Chlorobenzyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione | - C16 H12 Cl N O2 - | - C16 H12 Cl N O2 - | - C192 H144 Cl12 N12 O24 - | 12 | 3 | NA1552 | Subbiah Pandi, A.; Rajakannan, V.; Velmurugan, D.; Parvez, Masood; Kim, Moon-Jib; Senthilvelan, A.; Narasinga Rao, S. | Three tetrahydroisoquinolinedione derivatives | Acta Crystallographica Section C | 2,002 | 58 | 3 | o164 | o167 | 10.1107/S0108270102000896 | 1.54178 | CuKα | 0.093 | 0.065 | null | null | 0.174 | 0.2 | null | null | null | null | null | 1.057 | null | null | has coordinates,has Fobs | Subbiah Pandi, A.; Rajakannan, V.; Velmurugan, D.; Parvez, Masood; Kim, Moon-Jib; Senthilvelan, A.; Narasinga Rao, S.
Three tetrahydroisoquinolinedione derivatives
Acta Crystallographica Section C
58(3)
(2002)
o164-o167 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,588 | 15.847 | 0.002 | 7.919 | 0.0007 | 11.0602 | 0.0011 | 90 | null | 94.75 | 0.009 | 90 | null | 1,383.2 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | N-(2-Bromo-4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione | - C16 H12 Br N O2 - | - C16 H12 Br N O2 - | - C64 H48 Br4 N4 O8 - | 4 | 1 | NA1552 | Subbiah Pandi, A.; Rajakannan, V.; Velmurugan, D.; Parvez, Masood; Kim, Moon-Jib; Senthilvelan, A.; Narasinga Rao, S. | Three tetrahydroisoquinolinedione derivatives | Acta Crystallographica Section C | 2,002 | 58 | 3 | o164 | o167 | 10.1107/S0108270102000896 | 0.71073 | MoKα | 0.068 | 0.042 | null | null | 0.114 | 0.126 | null | null | null | null | null | 1.017 | null | null | has coordinates,has Fobs | Subbiah Pandi, A.; Rajakannan, V.; Velmurugan, D.; Parvez, Masood; Kim, Moon-Jib; Senthilvelan, A.; Narasinga Rao, S.
Three tetrahydroisoquinolinedione derivatives
Acta Crystallographica Section C
58(3)
(2002)
o164-o167 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/25/2012588.cif $
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2,012,589 | 15.6702 | 0.0008 | 6.156 | 0.0005 | 14.5889 | 0.0007 | 90 | null | 112.236 | 0.004 | 90 | null | 1,302.67 | 0.14 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | N-(2,3-Dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione | - C15 H9 Cl2 N O2 - | - C15 H9 Cl2 N O2 - | - C60 H36 Cl8 N4 O8 - | 4 | 1 | NA1552 | Subbiah Pandi, A.; Rajakannan, V.; Velmurugan, D.; Parvez, Masood; Kim, Moon-Jib; Senthilvelan, A.; Narasinga Rao, S. | Three tetrahydroisoquinolinedione derivatives | Acta Crystallographica Section C | 2,002 | 58 | 3 | o164 | o167 | 10.1107/S0108270102000896 | 0.71073 | MoKα | 0.05 | 0.036 | null | null | 0.144 | 0.156 | null | null | null | null | null | 1.008 | null | null | has coordinates,has Fobs | Subbiah Pandi, A.; Rajakannan, V.; Velmurugan, D.; Parvez, Masood; Kim, Moon-Jib; Senthilvelan, A.; Narasinga Rao, S.
Three tetrahydroisoquinolinedione derivatives
Acta Crystallographica Section C
58(3)
(2002)
o164-o167 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,590 | 11.349 | 0.002 | 4.704 | 0.002 | 13.731 | 0.001 | 90 | null | 106.43 | 0.01 | 90 | null | 703.1 | 0.3 | 294.2 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C18 H12 N2 O2 Pt - | - C18 H12 N2 O2 Pt - | - C36 H24 N4 O4 Pt2 - | 2 | 0.5 | OA1121 | Kato, Masako; Ogawa, Yuki; Kozakai, Mikiko; Sugimoto, Yukihiro | Bis(8-quinolinolato-<i>N</i>,<i>O</i>)platinum(II) and its synthetic intermediate, 8-hydroxyquinolinium dichloro(8-quinolinolato-<i>N</i>,<i>O</i>)platinate(II) tetrahydrate | Acta Crystallographica Section C | 2,002 | 58 | 3 | m147 | m149 | 10.1107/S0108270102000045 | 0.7107 | MoKα | null | 0.018 | null | null | null | 0.045 | null | null | null | null | null | 0.971 | null | null | has coordinates,has Fobs | Kato, Masako; Ogawa, Yuki; Kozakai, Mikiko; Sugimoto, Yukihiro
Bis(8-quinolinolato-<i>N</i>,<i>O</i>)platinum(II) and its synthetic intermediate, 8-hydroxyquinolinium dichloro(8-quinolinolato-<i>N</i>,<i>O</i>)platinate(II) tetrahydrate
Acta Crystallographica Section C
58(3)
(2002)
m147-m149 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,591 | 10.665 | 0.003 | 14.492 | 0.003 | 7.266 | 0.002 | 100.46 | 0.02 | 104.13 | 0.02 | 85.93 | 0.02 | 1,070.5 | 0.5 | 294.2 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C18 H22 Cl2 N2 O6 Pt - | - C18 H22 Cl2 N2 O6 Pt - | - C36 H44 Cl4 N4 O12 Pt2 - | 2 | 1 | OA1121 | Kato, Masako; Ogawa, Yuki; Kozakai, Mikiko; Sugimoto, Yukihiro | Bis(8-quinolinolato-<i>N</i>,<i>O</i>)platinum(II) and its synthetic intermediate, 8-hydroxyquinolinium dichloro(8-quinolinolato-<i>N</i>,<i>O</i>)platinate(II) tetrahydrate | Acta Crystallographica Section C | 2,002 | 58 | 3 | m147 | m149 | 10.1107/S0108270102000045 | 0.7107 | MoKα | null | 0.044 | null | null | null | 0.136 | null | null | null | null | null | 1.033 | null | null | has coordinates | Kato, Masako; Ogawa, Yuki; Kozakai, Mikiko; Sugimoto, Yukihiro
Bis(8-quinolinolato-<i>N</i>,<i>O</i>)platinum(II) and its synthetic intermediate, 8-hydroxyquinolinium dichloro(8-quinolinolato-<i>N</i>,<i>O</i>)platinate(II) tetrahydrate
Acta Crystallographica Section C
58(3)
(2002)
m147-m149 | 199,607 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-08-07 04:53:34 +0300 (Mon, 07 Aug 2017) $
#$Revision: 199607 $
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2,012,592 | 9.89 | 0.001 | 16.563 | 0.001 | 15.135 | 0.002 | 90 | null | 91.67 | 0.01 | 90 | null | 2,478.2 | 0.4 | 296.2 | null | 296.2 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | tri-μ-carbonyl-1:3κ^2^C;1:4κ^2^C;3:4κ^2^C-heptacarbonyl- 1κC,2κ^2^C,3κ^2^C,4κ^2^C-bis[1,2(η^5^)-methylcyclopentadienyl]- tetrahedro-diiridiumdimolybdenum | - C22 H14 Ir2 Mo2 O10 - | - C22 H14 Ir2 Mo2 O10 - | - C88 H56 Ir8 Mo8 O40 - | 4 | 1 | OA1125 | Lucas, Nigel T.; Humphrey, Mark G. | Decacarbonylbis(methylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum and decacarbonylbis(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum dichloromethane hemisolvate | Acta Crystallographica Section C | 2,002 | 58 | 3 | m171 | m173 | 10.1107/S0108270102000057 | 0.7107 | MoKα | 0.05 | 0.033 | null | 0.04 | null | 0.038 | null | null | 1.7 | null | null | 1.835 | null | null | has coordinates,has Fobs | Lucas, Nigel T.; Humphrey, Mark G.
Decacarbonylbis(methylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum and decacarbonylbis(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum dichloromethane hemisolvate
Acta Crystallographica Section C
58(3)
(2002)
m171-m173 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,012,593 | 38.199 | 0.004 | 36.135 | 0.005 | 9.303 | 0.004 | 90 | null | 90 | null | 90 | null | 12,841 | 6 | 296.2 | null | 296.2 | null | null | null | null | null | 6 | F d d 2 | F 2 -2d | 43 | tri-μ-carbonyl-1:3κ^2^C;1:4κ^2^C;3:4κ^2^C-heptacarbonyl- 1κC,2κ^2^C,3κ^2^C,4κ^2^C-bis[1,2(η^5^)-tetramethylcyclopentadienyl]- tetrahedro-diiridiumdimolybdenum dichloromethane hemisolvate | - C28.5 H27 Cl Ir2 Mo2 O10 - | - C28 H26 Cl Ir2 Mo2 O10 - | - C448 H416 Cl16 Ir32 Mo32 O160 - | 16 | 1 | OA1125 | Lucas, Nigel T.; Humphrey, Mark G. | Decacarbonylbis(methylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum and decacarbonylbis(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum dichloromethane hemisolvate | Acta Crystallographica Section C | 2,002 | 58 | 3 | m171 | m173 | 10.1107/S0108270102000057 | 0.7107 | MoKα | 0.046 | 0.023 | null | 0.026 | null | 0.023 | null | null | 0.79 | null | null | 0.82 | null | null | has coordinates,has Fobs | Lucas, Nigel T.; Humphrey, Mark G.
Decacarbonylbis(methylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum and decacarbonylbis(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-diiridiumdimolybdenum dichloromethane hemisolvate
Acta Crystallographica Section C
58(3)
(2002)
m171-m173 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,012,594 | 6.791 | 0.001 | 11.17 | 0.002 | 11.246 | 0.002 | 93.75 | 0.03 | 97.13 | 0.03 | 102.56 | 0.02 | 822.4 | 0.3 | 140 | null | 293 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | monlow | - C9 H12 N2 O - | - C9 H12 N2 O - | - C36 H48 N8 O4 - | 4 | 2 | OA1127 | Zolotoy, Alexander B.; Botoshansky, Mark; Kaftory, Menahem | 1-Methyl-5,6,7,8-tetrahydroquinoxalin-2(1<i>H</i>)-one | Acta Crystallographica Section C | 2,002 | 58 | 3 | o148 | o150 | 10.1107/S0108270102001087 | 0.71073 | MoKα | 0.1277 | 0.0546 | null | null | 0.1288 | 0.1692 | null | null | null | null | null | 0.905 | null | null | has coordinates,has Fobs | Zolotoy, Alexander B.; Botoshansky, Mark; Kaftory, Menahem
1-Methyl-5,6,7,8-tetrahydroquinoxalin-2(1<i>H</i>)-one
Acta Crystallographica Section C
58(3)
(2002)
o148-o150 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,595 | 6.774 | 0.002 | 15.875 | 0.003 | 13.477 | 0.003 | 90 | null | 90 | 0.03 | 90 | null | 1,449.3 | 0.6 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | C m c a | -C 2ac 2 | 64 | Magnet-4 | Dispiro[2H-benzimidazole-2,1'-cyclohexane-4',2''- [2H]benzimidazole],1,-oxide | - C18 H16 N4 O - | - C18 H16 N4 O - | - C72 H64 N16 O4 - | 4 | null | OA1128 | Kaftory, Menahem; Shteiman, Vitaly; Botoshansky, Mark | Dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1-oxide and dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1,1''-dioxide | Acta Crystallographica Section C | 2,002 | 58 | 3 | o183 | o186 | 10.1107/S0108270102001099 | 0.71069 | MoKα | 0.0648 | 0.0425 | null | null | 0.112 | 0.1191 | null | null | null | null | null | 1.015 | null | null | has coordinates,has Fobs | Kaftory, Menahem; Shteiman, Vitaly; Botoshansky, Mark
Dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1-oxide and dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1,1''-dioxide
Acta Crystallographica Section C
58(3)
(2002)
o183-o186 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,596 | 5.416 | 0.002 | 7.29 | 0.002 | 10.426 | 0.003 | 104.39 | 0.03 | 104.15 | 0.03 | 98.41 | 0.03 | 377.1 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Magnet-5 | dispiro [2H-benzimidazole-2,1'-cyclohexane-4',2''-[2H]benzimidazole] ,1,1''-dioxide | - C18 H16 N4 O2 - | - C18 H16 N4 O2 - | - C18 H16 N4 O2 - | 1 | 0.5 | OA1128 | Kaftory, Menahem; Shteiman, Vitaly; Botoshansky, Mark | Dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1-oxide and dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1,1''-dioxide | Acta Crystallographica Section C | 2,002 | 58 | 3 | o183 | o186 | 10.1107/S0108270102001099 | 0.71069 | MoKα | 0.0936 | 0.0534 | null | null | 0.1258 | 0.1393 | null | null | null | null | null | 1.062 | null | null | has coordinates,has Fobs | Kaftory, Menahem; Shteiman, Vitaly; Botoshansky, Mark
Dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1-oxide and dispiro[2<i>H</i>-benzimidazole-2,1'-cyclohexane-4',2''-[2<i>H</i>]benzimidazole] 1,1''-dioxide
Acta Crystallographica Section C
58(3)
(2002)
o183-o186 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,597 | 16.0287 | 0.0011 | 9.6132 | 0.0007 | 20.2697 | 0.0015 | 90 | null | 110.906 | 0.001 | 90 | null | 2,917.7 | 0.4 | 296 | 2 | 296 | 2 | null | null | null | null | 6 | C 1 c 1 | C -2yc | 9 | {tris[2-(benzylamino)ethyl]amine-κ^4^N}silver(I) perchlorate | - C27 H36 Ag Cl N4 O4 - | - C27 H36 Ag Cl N4 O4 - | - C108 H144 Ag4 Cl4 N16 O16 - | 4 | 1 | OB1051 | Yoon, Il; Shin, Yong Woon; Kim, Jineun; Park, Ki-Min; Park, Sung Bae; Lee, Shim Sung | A pseudo-cage complex of silver(I) with tripodal tetraamine having benzyl end groups, {tris[2-(benzylamino)ethyl]amine-κ^4^<i>N</i>}silver(I) perchlorate | Acta Crystallographica Section C | 2,002 | 58 | 3 | m165 | m166 | 10.1107/S0108270102000665 | 0.71073 | MoKα | 0.048 | 0.033 | null | null | 0.081 | 0.09 | null | null | null | null | null | 0.988 | null | null | has coordinates,has Fobs | Yoon, Il; Shin, Yong Woon; Kim, Jineun; Park, Ki-Min; Park, Sung Bae; Lee, Shim Sung
A pseudo-cage complex of silver(I) with tripodal tetraamine having benzyl end groups, {tris[2-(benzylamino)ethyl]amine-κ^4^<i>N</i>}silver(I) perchlorate
Acta Crystallographica Section C
58(3)
(2002)
m165-m166 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,598 | 10.942 | 0.002 | 10.223 | 0.001 | 21.092 | 0.002 | 90 | null | 101.24 | 0.01 | 90 | null | 2,314.1 | 0.5 | 299 | 2 | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | [bis(dimethylformamide)-1κO,3κO-bis{μ-2,2'-[2,2'-dimethylpropane- 1,3-diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^N,N',O,O':2κ^2^O,O';2κ^2^O,O':3κ^4^N,N',O,O'-di-μ-nitrito- 1:2κ^2^N:O;2:3κ^2^O:N-dinickel(II)]cobalt(II) | - C44 H54 Co N8 Ni2 O10 - | - C44 H54 Co N8 Ni2 O10 - | - C88 H108 Co2 N16 Ni4 O20 - | 2 | 0.5 | OB1055 | Ercan, Filiz; Atakol, Orhan; Arıcı, Cengiz; Svoboda, Ingrid; Fuess, Hartmut | Three heterotrinuclear Schiff base complexes of nickel(II) with cobalt(II), copper(II) and manganese(II) | Acta Crystallographica Section C | 2,002 | 58 | 3 | m193 | m196 | 10.1107/S0108270102001609 | 0.71073 | MoKα | null | 0.031 | null | null | null | 0.085 | null | null | null | null | null | 1.017 | null | null | has coordinates,has Fobs | Ercan, Filiz; Atakol, Orhan; Arıcı, Cengiz; Svoboda, Ingrid; Fuess, Hartmut
Three heterotrinuclear Schiff base complexes of nickel(II) with cobalt(II), copper(II) and manganese(II)
Acta Crystallographica Section C
58(3)
(2002)
m193-m196 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,599 | 10.952 | 0.0012 | 10.2387 | 0.0013 | 21.0884 | 0.0012 | 90 | null | 101.252 | 0.003 | 90 | null | 2,319.3 | 0.4 | 293 | 2 | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | [bis(dimethylformamide)-1κO,3κO-bis{μ-2,2'-[2,2'-dimethylpropane- 1,3-diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^N,N',O,O':2κ^2^O,O';2κ^2^O,O':3κ^4^N,N',O,O'-di-μ-nitrito- 1:2κ^2^N:O;2:3κ^2^O:N-dinickel(II)]copper(II) | - C44 H54 Cu N8 Ni2 O10 - | - C44 H54 Cu N8 Ni2 O10 - | - C88 H108 Cu2 N16 Ni4 O20 - | 2 | 0.5 | OB1055 | Ercan, Filiz; Atakol, Orhan; Arıcı, Cengiz; Svoboda, Ingrid; Fuess, Hartmut | Three heterotrinuclear Schiff base complexes of nickel(II) with cobalt(II), copper(II) and manganese(II) | Acta Crystallographica Section C | 2,002 | 58 | 3 | m193 | m196 | 10.1107/S0108270102001609 | 1.5418 | CuKα | null | 0.05 | null | null | null | 0.159 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Ercan, Filiz; Atakol, Orhan; Arıcı, Cengiz; Svoboda, Ingrid; Fuess, Hartmut
Three heterotrinuclear Schiff base complexes of nickel(II) with cobalt(II), copper(II) and manganese(II)
Acta Crystallographica Section C
58(3)
(2002)
m193-m196 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,600 | 11.009 | 0.002 | 10.206 | 0.0008 | 21.216 | 0.002 | 90 | null | 101.247 | 0.007 | 90 | null | 2,338 | 0.5 | 298 | 2 | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | [bis(dimethylformamide)-1κO,3κO-bis{μ-2,2'-[2,2'-dimethylpropane- 1,3-diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^N,N',O,O':2κ^2^O,O';2κ^2^O,O':3κ^4^N,N',O,O'-di-μ-nitrito- 1:2κ^2^N:O;2:3κ^2^O:N-dinickel(II)]manganese(II) | - C44 H54 Mn N8 Ni2 O10 - | - C44 H54 Mn N8 Ni2 O10 - | - C88 H108 Mn2 N16 Ni4 O20 - | 2 | 0.5 | OB1055 | Ercan, Filiz; Atakol, Orhan; Arıcı, Cengiz; Svoboda, Ingrid; Fuess, Hartmut | Three heterotrinuclear Schiff base complexes of nickel(II) with cobalt(II), copper(II) and manganese(II) | Acta Crystallographica Section C | 2,002 | 58 | 3 | m193 | m196 | 10.1107/S0108270102001609 | 0.71073 | MoKα | null | 0.033 | null | null | null | 0.099 | null | null | null | null | null | 1.016 | null | null | has coordinates,has Fobs | Ercan, Filiz; Atakol, Orhan; Arıcı, Cengiz; Svoboda, Ingrid; Fuess, Hartmut
Three heterotrinuclear Schiff base complexes of nickel(II) with cobalt(II), copper(II) and manganese(II)
Acta Crystallographica Section C
58(3)
(2002)
m193-m196 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,601 | 7.557 | 0.001 | 8.618 | 0.001 | 10.582 | 0.001 | 108.26 | 0.01 | 104.5 | 0.01 | 102.37 | 0.01 | 600.65 | 0.14 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | Barium tetraphosphate | Barium tetraphosphate | - Ba3 O13 P4 - | - Ba3 O13 P4 - | - Ba6 O26 P8 - | 2 | 1 | OS1147 | Bennazha, Jamal; Boukhari, Ali; Holt, Elizabeth M. | Barium tetraphosphate | Acta Crystallographica Section C | 2,002 | 58 | 3 | i29 | i30 | 10.1107/S0108270101021588 | 0.71073 | MoKα | 0.0402 | 0.0315 | null | null | 0.0917 | 0.0994 | null | null | null | null | null | 0.898 | null | null | has coordinates,has Fobs | Bennazha, Jamal; Boukhari, Ali; Holt, Elizabeth M.
Barium tetraphosphate
Acta Crystallographica Section C
58(3)
(2002)
i29-i30 | 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/2/01/26/2012601.cif $
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2,012,602 | 11.6418 | 0.0012 | 11.5449 | 0.0011 | 6.8981 | 0.0007 | 90 | null | 99.476 | 0.01 | 90 | null | 914.48 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | phenazine β-polymorph | - C12 H8 N2 - | - C12 H8 N2 - | - C48 H32 N8 - | 4 | 1 | OS1149 | Jankowski, Wojciech; Gdaniec, Maria | The β-polymorph of phenazine | Acta Crystallographica Section C | 2,002 | 58 | 3 | o181 | o182 | 10.1107/S0108270102001464 | 0.71073 | MoKα | 0.072 | 0.053 | null | null | 0.135 | 0.149 | null | null | null | null | null | 1.227 | null | null | has coordinates,has Fobs | Jankowski, Wojciech; Gdaniec, Maria
The β-polymorph of phenazine
Acta Crystallographica Section C
58(3)
(2002)
o181-o182 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,603 | 7.0983 | 0.0011 | 9.3947 | 0.0015 | 13.88 | 0.002 | 87.686 | 0.003 | 79.635 | 0.003 | 79.498 | 0.003 | 895.2 | 0.2 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 6,21-diaza-3,9,18,24-tetraazoniatricyclo[22.2.2.2^11,14^]triaconta- 11,13,24,26(1),27,29-hexaene benzene-1,2,4,5-tetracarboxylate hexahydrate | - C34 H56 N6 O14 - | - C34 H56 N6 O14 - | - C34 H56 N6 O14 - | 1 | 0.5 | SK1508 | Zhu, Long-Gen; Ellern, Arkady M.; Kostić, Nenad M. | The binary adduct of 3,6,9,16,19,22-hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26(1),27,29-hexaene and benzene-1,2,4,5-tetracarboxylic acid | Acta Crystallographica Section C | 2,002 | 58 | 3 | o129 | o130 | 10.1107/S0108270101020777 | 0.71073 | MoKα | 0.099 | 0.047 | null | null | 0.093 | 0.104 | null | null | null | null | null | 0.899 | null | null | has coordinates,has Fobs | Zhu, Long-Gen; Ellern, Arkady M.; Kostić, Nenad M.
The binary adduct of 3,6,9,16,19,22-hexaazatricyclo[22.2.2.2^11,14^]triaconta-11,13,24,26(1),27,29-hexaene and benzene-1,2,4,5-tetracarboxylic acid
Acta Crystallographica Section C
58(3)
(2002)
o129-o130 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,604 | 36.426 | 0.009 | 9.141 | 0.001 | 6.281 | 0.002 | 90 | null | 90 | null | 90 | null | 2,091.4 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 3-Methoxy-17α-hydroxy-17β-benzylestra-1,3,5(10)-trien-16-one | - C26 H30 O3 - | - C26 H30 O3 - | - C104 H120 O12 - | 4 | 1 | SK1521 | Stanković, Slobodanka; Lazar, Dušan; Medić-Mijačević, Ljubica; Penov-Gaši, Katarina; Sakač, Marija; Andrić, Silvana; Milenko, Bruvo | <small>D</small>-Secoestrone derivatives. VI. 17β-Benzyl-17α-hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one | Acta Crystallographica Section C | 2,002 | 58 | 3 | o172 | o173 | 10.1107/S0108270101020807 | 1.5418 | CuKα | 0.055 | 0.047 | null | null | 0.117 | 0.125 | null | null | null | null | null | 1.024 | null | null | has coordinates | Stanković, Slobodanka; Lazar, Dušan; Medić-Mijačević, Ljubica; Penov-Gaši, Katarina; Sakač, Marija; Andrić, Silvana; Milenko, Bruvo
<small>D</small>-Secoestrone derivatives. VI. 17β-Benzyl-17α-hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one
Acta Crystallographica Section C
58(3)
(2002)
o172-o173 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,605 | 10.5606 | 0.0013 | 12.1254 | 0.0009 | 14.8196 | 0.001 | 90 | null | 107.389 | 0.006 | 90 | null | 1,810.9 | 0.3 | 292 | 1 | 292 | 1 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Ethyl 2-{[2-(3-nitrophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}acetate | - C19 H17 N3 O4 S - | - C19 H17 N3 O4 S - | - C76 H68 N12 O16 S4 - | 4 | 1 | SK1525 | Gallagher, John F.; Coleman, Clare M.; O'Shea, Donal F. | Ethyl 2-{[2-(3-nitrophenyl)-5-phenyl-1<i>H</i>-imidazol-4-yl]sulfanyl}acetate: synthesis <i>via</i> a microwave-mediated combinatorial chemistry approach | Acta Crystallographica Section C | 2,002 | 58 | 3 | o139 | o141 | 10.1107/S0108270101020571 | 0.71073 | MoKα | 0.066 | 0.042 | null | null | 0.098 | 0.11 | null | null | null | null | null | 1.032 | null | null | has coordinates,has Fobs | Gallagher, John F.; Coleman, Clare M.; O'Shea, Donal F.
Ethyl 2-{[2-(3-nitrophenyl)-5-phenyl-1<i>H</i>-imidazol-4-yl]sulfanyl}acetate: synthesis <i>via</i> a microwave-mediated combinatorial chemistry approach
Acta Crystallographica Section C
58(3)
(2002)
o139-o141 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,606 | 13.716 | 0.003 | 14.103 | 0.003 | 6.214 | 0.004 | 90 | null | 90 | null | 90 | null | 1,202 | 0.9 | 296 | null | 296 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 2-cis-3-trans-3-Ethyl-2,6,6-trimethyl-4-oxocyclohexanecarboxylic acid | - C12 H20 O3 - | - C12 H20 O3 - | - C48 H80 O12 - | 4 | 1 | SK1530 | Xie, Songwen; Hou, Yuqing; Meyers, Cal Y.; Robinson, Paul D. | <i>trans</i>-3-Ethyl-<i>cis</i>-2,6,6-trimethyl-4-oxocyclohexanecarboxylic acid: an intermediate in the synthesis of a highly potent estrogen | Acta Crystallographica Section C | 2,002 | 58 | 3 | o159 | o161 | 10.1107/S0108270102000252 | 0.71069 | MoKα | 0.062 | 0.034 | null | null | 0.081 | 0.092 | null | null | null | null | null | 1.03 | null | null | has coordinates,has Fobs | Xie, Songwen; Hou, Yuqing; Meyers, Cal Y.; Robinson, Paul D.
<i>trans</i>-3-Ethyl-<i>cis</i>-2,6,6-trimethyl-4-oxocyclohexanecarboxylic acid: an intermediate in the synthesis of a highly potent estrogen
Acta Crystallographica Section C
58(3)
(2002)
o159-o161 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,607 | 7.3677 | 0.0003 | 14.7904 | 0.0019 | 25.379 | 0.003 | 90 | 0.009 | 90 | 0.009 | 90 | 0.009 | 2,765.6 | 0.5 | 298 | null | 298 | null | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | - O14 Rb3 Ta5 - | - O14 Rb3 Ta5 - | - O112 Rb24 Ta40 - | 8 | 1 | TA1346 | du Boulay, Douglas; Yamashita, Reiko; Ishizawa, Nobuo | Synchrotron X-ray study of orthorhombic Rb~3~Ta~5~O~14~ with a modified pyrochlore structure | Acta Crystallographica Section C | 2,002 | 58 | 3 | i40 | i44 | 10.1107/S010827010101890X | 0.8499 | synchrotron | 0.044 | 0.043 | null | 0.047 | null | 0.047 | null | null | 3.244 | null | null | 3.275 | null | null | has coordinates,has Fobs | du Boulay, Douglas; Yamashita, Reiko; Ishizawa, Nobuo
Synchrotron X-ray study of orthorhombic Rb~3~Ta~5~O~14~ with a modified pyrochlore structure
Acta Crystallographica Section C
58(3)
(2002)
i40-i44 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012607.cif $
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2,012,608 | 9.049 | 0.002 | 10.507 | 0.003 | 10.779 | 0.003 | 71.79 | 0.04 | 89.52 | 0.04 | 76.13 | 0.04 | 942.7 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Tetrakis[(4-aminopyridinio)acetato-κO]diaquamanganese(II) diperchlorate | - C28 H36 Cl2 Mn N8 O18 - | - C28 H36 Cl2 Mn N8 O18 - | - C28 H36 Cl2 Mn N8 O18 - | 1 | 0.5 | TA1355 | Zhang, Yu; Tao, Hanbing; Duan, Chunying; Li, Yizhi; Zhu, Longgen | Tetrakis[(4-aminopyridinio)acetato-κ<i>O</i>]diaquamanganese(II) diperchlorate | Acta Crystallographica Section C | 2,002 | 58 | 3 | m188 | m189 | 10.1107/S0108270102000343 | 0.71073 | MoKα | 0.055 | 0.049 | null | null | 0.143 | 0.148 | null | null | null | null | null | 1.049 | null | null | has coordinates,has disorder,has Fobs | Zhang, Yu; Tao, Hanbing; Duan, Chunying; Li, Yizhi; Zhu, Longgen
Tetrakis[(4-aminopyridinio)acetato-κ<i>O</i>]diaquamanganese(II) diperchlorate
Acta Crystallographica Section C
58(3)
(2002)
m188-m189 | 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/2/01/26/2012608.cif $
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2,012,609 | 20.0909 | 0.0004 | 11.3466 | 0.0001 | 15.6407 | 0.0004 | 90 | null | 95.476 | 0.001 | 90 | null | 3,549.24 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | catena-Poly[[bis[tetraaquacobalt(II)-μ-4,4'-bipyridine-κ^2^N:N']] benzene-1,2,4,5-tetracarboxylate(4-) dihydrate] | - C30 H38 Co2 N4 O18 - | - C30 H38 Co2 N4 O18 - | - C120 H152 Co8 N16 O72 - | 4 | 0.5 | VJ1159 | Wu, Chuan-De; Lu, Can-Zhong; Yu, Ya-Qin; Zhuang, Hong-Hui; Huang, Jin-Shun | <i>catena</i>-Poly[bis[tetraaquacobalt(II)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] benzene-1,2,4,5-tetracarboxylate(4{-}) dihydrate] | Acta Crystallographica Section C | 2,002 | 58 | 3 | m197 | m198 | 10.1107/S0108270102001579 | 0.71073 | MoKα | 0.061 | 0.047 | null | null | 0.106 | 0.117 | null | null | null | null | null | 1.093 | null | null | has coordinates,has Fobs | Wu, Chuan-De; Lu, Can-Zhong; Yu, Ya-Qin; Zhuang, Hong-Hui; Huang, Jin-Shun
<i>catena</i>-Poly[bis[tetraaquacobalt(II)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] benzene-1,2,4,5-tetracarboxylate(4{-}) dihydrate]
Acta Crystallographica Section C
58(3)
(2002)
m197-m198 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,012,610 | 10.03 | 0.001 | 11.336 | 0.001 | 13.656 | 0.002 | 90.99 | 0.02 | 109.47 | 0.02 | 101.01 | 0.03 | 1,431.4 | 0.4 | 213 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C10 H16 Ag N5 O3 - | - C10 H16 Ag N5 O3 - | - C40 H64 Ag4 N20 O12 - | 4 | 2 | BK1637 | Mohamed, Ahmed A.; Fackler, John P. Jr | Bis(3,5-dimethylpyrazole-κ<i>N</i>^2^)silver(I) nitrate | Acta Crystallographica Section C | 2,002 | 58 | 4 | m228 | m229 | 10.1107/S0108270102002044 | 0.71073 | MoKα | 0.0559 | 0.04 | null | null | 0.0881 | 0.0943 | null | null | null | null | null | 1.064 | null | null | has coordinates,has Fobs | Mohamed, Ahmed A.; Fackler, John P. Jr
Bis(3,5-dimethylpyrazole-κ<i>N</i>^2^)silver(I) nitrate
Acta Crystallographica Section C
58(4)
(2002)
m228-m229 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,611 | 7.357 | 0.002 | 7.667 | 0.002 | 8.19 | 0.002 | 92.1 | 0.01 | 109.81 | 0.01 | 117.31 | 0.01 | 375.84 | 0.18 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 4,7-dichlorobenzo[c]furazan 1-oxide, polymorph I | - C6 H2 Cl2 N2 O2 - | - C6 H2 Cl2 N2 O2 - | - C12 H4 Cl4 N4 O4 - | 2 | 1 | BK1639 | Britton, Doyle; Mallory, Frank B.; Mallory, Clelia W. | The crystal packing of 4,7-dichloro- and 4,7-dibromobenzo[<i>c</i>]furazan 1-oxide | Acta Crystallographica Section C | 2,002 | 58 | 4 | o235 | o238 | 10.1107/S0108270102003591 | 0.71073 | MoKα | 0.04 | 0.034 | null | null | 0.091 | 0.095 | null | null | null | null | null | 1.09 | null | null | has coordinates | Britton, Doyle; Mallory, Frank B.; Mallory, Clelia W.
The crystal packing of 4,7-dichloro- and 4,7-dibromobenzo[<i>c</i>]furazan 1-oxide
Acta Crystallographica Section C
58(4)
(2002)
o235-o238 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,612 | 21.828 | 0.005 | 7.819 | 0.002 | 27.501 | 0.007 | 90 | null | 105.21 | 0.03 | 90 | null | 4,529 | 2 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 4,7-dichlorobenzo[c]furazan 1-oxide, polymorph II | - C6 H2 Cl2 N2 O2 - | - C6 H2 Cl2 N2 O2 - | - C144 H48 Cl48 N48 O48 - | 24 | 3 | BK1639 | Britton, Doyle; Mallory, Frank B.; Mallory, Clelia W. | The crystal packing of 4,7-dichloro- and 4,7-dibromobenzo[<i>c</i>]furazan 1-oxide | Acta Crystallographica Section C | 2,002 | 58 | 4 | o235 | o238 | 10.1107/S0108270102003591 | 0.71073 | MoKα | 0.045 | 0.034 | null | null | 0.077 | 0.081 | null | null | null | null | null | 1.06 | null | null | has coordinates | Britton, Doyle; Mallory, Frank B.; Mallory, Clelia W.
The crystal packing of 4,7-dichloro- and 4,7-dibromobenzo[<i>c</i>]furazan 1-oxide
Acta Crystallographica Section C
58(4)
(2002)
o235-o238 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,613 | 22.81 | 0.006 | 7.835 | 0.002 | 27.859 | 0.007 | 90 | null | 105.31 | 0.02 | 90 | null | 4,802 | 2 | 175 | 2 | 175 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 4,7-dibromobenzo[c]furazan 1-oxide | - C6 H2 Br2 N2 O2 - | - C6 H2 Br2 N2 O2 - | - C144 H48 Br48 N48 O48 - | 24 | 3 | BK1639 | Britton, Doyle; Mallory, Frank B.; Mallory, Clelia W. | The crystal packing of 4,7-dichloro- and 4,7-dibromobenzo[<i>c</i>]furazan 1-oxide | Acta Crystallographica Section C | 2,002 | 58 | 4 | o235 | o238 | 10.1107/S0108270102003591 | 0.71073 | MoKα | 0.06 | 0.033 | null | null | 0.053 | 0.058 | null | null | null | null | null | 1.05 | null | null | has coordinates,has Fobs | Britton, Doyle; Mallory, Frank B.; Mallory, Clelia W.
The crystal packing of 4,7-dichloro- and 4,7-dibromobenzo[<i>c</i>]furazan 1-oxide
Acta Crystallographica Section C
58(4)
(2002)
o235-o238 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,614 | 11.803 | 0.001 | 25.951 | 0.002 | 12.31 | 0.001 | 90 | null | 115.31 | 0.01 | 90 | null | 3,408.6 | 0.6 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Diaqua-bis(3,4,7,8-Tetramethyl-1,10-phenanthroline-N,N')nickel(II) dinitrate, methanol solvate | - C33 H40 N6 Ni O9 - | - C32.846 H36 N6 Ni O8.846 - | - C131.384 H144 N24 Ni4 O35.384 - | 4 | 1 | BK1640 | Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo | Two nickel complexes stabilized by nitrate counter-ions | Acta Crystallographica Section C | 2,002 | 58 | 4 | m221 | m224 | 10.1107/S0108270102002834 | 0.71073 | MoKα | 0.084 | 0.056 | null | null | 0.15 | 0.163 | null | null | null | null | null | 0.951 | null | null | has coordinates,has disorder | Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo
Two nickel complexes stabilized by nitrate counter-ions
Acta Crystallographica Section C
58(4)
(2002)
m221-m224 | 211,332 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
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2,012,615 | 12.328 | 0.002 | 14.851 | 0.003 | 14.124 | 0.003 | 90 | null | 100.06 | 0.03 | 90 | null | 2,546.1 | 0.9 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | C 1 c 1 | C -2yc | 9 | Triaqua-(2,4,6-tris(2-Pyridyl)-1,3,5-triazine-N,N',N")nickel(II), dinitrate, trihydrate | - C18 H24 N8 Ni O12 - | - C18 H24 N8 Ni O12 - | - C72 H96 N32 Ni4 O48 - | 4 | 1 | BK1640 | Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo | Two nickel complexes stabilized by nitrate counter-ions | Acta Crystallographica Section C | 2,002 | 58 | 4 | m221 | m224 | 10.1107/S0108270102002834 | 0.71073 | MoKα | 0.041 | 0.037 | null | null | 0.089 | 0.092 | null | null | null | null | null | 0.924 | null | null | has coordinates | Freire, Eleonora; Baggio, Sergio; Muñoz, Juan Carlos; Baggio, Ricardo
Two nickel complexes stabilized by nitrate counter-ions
Acta Crystallographica Section C
58(4)
(2002)
m221-m224 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,616 | 15.1714 | 0.0009 | 9.019 | 0.0005 | 17.2111 | 0.001 | 90 | null | 90 | null | 90 | null | 2,355 | 0.2 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | C m c a | -C 2ac 2 | 64 | cis-Dioxocyclam | 1,4,8,11-Tetraazacyclotetradecane-5,7-dione | - C10 H20 N4 O2 - | - C10 H20 N4 O2 - | - C80 H160 N32 O16 - | 8 | null | BK1641 | Mashuta, Mark S.; Pimenov, Konstantin V.; Grapperhaus, Craig A. | <i>cis</i>-Dioxocyclam | Acta Crystallographica Section C | 2,002 | 58 | 4 | o226 | o227 | 10.1107/S0108270102003165 | 0.71073 | MoKα | 0.036 | 0.034 | null | null | 0.087 | 0.088 | null | null | null | null | null | 1.08 | null | null | has coordinates,has Fobs | Mashuta, Mark S.; Pimenov, Konstantin V.; Grapperhaus, Craig A.
<i>cis</i>-Dioxocyclam
Acta Crystallographica Section C
58(4)
(2002)
o226-o227 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,012,617 | 8.3991 | 0.001 | 15.51 | 0.003 | 7.1584 | 0.001 | 90 | null | 104.261 | 0.01 | 90 | null | 903.8 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | Bis(thiourea-κS)gold(I) chloride | - C2 H8 Au Cl N4 S2 - | - C2 H8 Au Cl N4 S2 - | - C8 H32 Au4 Cl4 N16 S8 - | 4 | 0.5 | BM1485 | Piro, Oscar E.; Castellano, Eduardo E.; Piatti, Roberto C. V.; Bolzán, Agustín E.; Arvia, Alejandro J. | Two thiourea-containing gold(I) complexes | Acta Crystallographica Section C | 2,002 | 58 | 4 | m252 | m255 | 10.1107/S0108270102003062 | 0.71073 | MoKα | 0.064 | 0.031 | null | null | 0.089 | 0.102 | null | null | null | null | null | 1.069 | null | null | has coordinates,has Fobs | Piro, Oscar E.; Castellano, Eduardo E.; Piatti, Roberto C. V.; Bolzán, Agustín E.; Arvia, Alejandro J.
Two thiourea-containing gold(I) complexes
Acta Crystallographica Section C
58(4)
(2002)
m252-m255 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,012,618 | 8.059 | 0.0001 | 11.498 | 0.0002 | 20.069 | 0.0004 | 88.813 | 0.0009 | 85.054 | 0.0011 | 88.217 | 0.0012 | 1,851.52 | 0.05 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Bis[bis(thiourea-κS)gold(I)] sulfate | - C4 H16 Au2 N8 O4 S5 - | - C4 H16 Au2 N8 O4 S5 - | - C16 H64 Au8 N32 O16 S20 - | 4 | 2 | BM1485 | Piro, Oscar E.; Castellano, Eduardo E.; Piatti, Roberto C. V.; Bolzán, Agustín E.; Arvia, Alejandro J. | Two thiourea-containing gold(I) complexes | Acta Crystallographica Section C | 2,002 | 58 | 4 | m252 | m255 | 10.1107/S0108270102003062 | 0.7107 | MoKα | 0.055 | 0.049 | null | null | 0.133 | 0.139 | null | null | null | null | null | 1.075 | null | null | has coordinates,has Fobs | Piro, Oscar E.; Castellano, Eduardo E.; Piatti, Roberto C. V.; Bolzán, Agustín E.; Arvia, Alejandro J.
Two thiourea-containing gold(I) complexes
Acta Crystallographica Section C
58(4)
(2002)
m252-m255 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,012,619 | 13.3194 | 0.0003 | 7.7311 | 0.0001 | 16.5545 | 0.0003 | 90 | null | 90 | null | 90 | null | 1,704.68 | 0.05 | 150 | 2 | 150 | 2 | null | null | null | null | 3 | P c a 21 | P 2c -2ac | 29 | 3,4-(4-methoxybenzo):8,9-benzo-bicyclo[4.4.1]undeca-3,9-dien-11-one ethylene acetal | 5-methoxyspiro[tetracyclo[8.8.1.0^3,8^.0^12,17^]nonadeca-3,5,7,12,14,16-hexene- 19,2'-[1,3]dioxolane] | - C22 H24 O3 - | - C22 H24 O3 - | - C88 H96 O12 - | 4 | 1 | BM1488 | Liu, Xiaoming; Kilner, Colin A.; Halcrow, Malcolm A. | 3,4-(4-Methoxybenzo):8,9-benzobicyclo[4.4.1]undeca-3,8-dien-11-one ethylene acetal | Acta Crystallographica Section C | 2,002 | 58 | 4 | o218 | o219 | 10.1107/S0108270102001816 | 0.71073 | MoKα | 0.0378 | 0.0338 | null | null | 0.082 | 0.0842 | null | null | null | null | null | 1.051 | null | null | has coordinates,has Fobs | Liu, Xiaoming; Kilner, Colin A.; Halcrow, Malcolm A.
3,4-(4-Methoxybenzo):8,9-benzobicyclo[4.4.1]undeca-3,8-dien-11-one ethylene acetal
Acta Crystallographica Section C
58(4)
(2002)
o218-o219 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,620 | 14.238 | 0.002 | 8.3554 | 0.0013 | 16.487 | 0.003 | 90 | null | 95.261 | 0.003 | 90 | null | 1,953.1 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 2 | P 1 21/c 1 | -P 2ybc | 14 | Tetrapotassium nonastannide | - K4 Sn9 - | - K4 Sn9 - | - K16 Sn36 - | 4 | 1 | BR1356 | Hoch, Constantin; Wendorff, Marco; Röhr, Caroline | Tetrapotassium nonastannide, K~4~Sn~9~ | Acta Crystallographica Section C | 2,002 | 58 | 4 | i45 | i46 | 10.1107/S0108270102002032 | 0.7107 | MoKα | 0.0498 | 0.027 | null | null | 0.0475 | 0.0582 | null | null | null | null | null | 0.968 | null | null | has coordinates,has Fobs | Hoch, Constantin; Wendorff, Marco; Röhr, Caroline
Tetrapotassium nonastannide, K~4~Sn~9~
Acta Crystallographica Section C
58(4)
(2002)
i45-i46 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,621 | 8.3979 | 0.0009 | 5.3327 | 0.0006 | 11.1482 | 0.0012 | 90 | null | 108.422 | 0.002 | 90 | null | 473.67 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | Trimercury(II) {bis[selenite(IV)] selenate(VI)}] | - Hg3 O10 Se3 - | - Hg3 O10 Se3 - | - Hg6 O20 Se6 - | 2 | 1 | BR1358 | Weil, Matthias; Kolitsch, Uwe | Hg~3~Se~3~O~10~, a mercury(II) compound with mixed-valence oxoselenium(IV/VI) anions | Acta Crystallographica Section C | 2,002 | 58 | 4 | i47 | i49 | 10.1107/S0108270102001920 | 0.71073 | MoKα | 0.032 | 0.027 | null | null | 0.058 | 0.06 | null | null | null | null | null | 1.021 | null | null | has coordinates,has Fobs | Weil, Matthias; Kolitsch, Uwe
Hg~3~Se~3~O~10~, a mercury(II) compound with mixed-valence oxoselenium(IV/VI) anions
Acta Crystallographica Section C
58(4)
(2002)
i47-i49 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,012,622 | 7.93 | 0.002 | 7.93 | 0.002 | 20.21 | 0.009 | 90 | null | 90 | null | 120 | null | 1,100.6 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 31 | P 31 | 144 | ethoxydinitronitrosyl(N,N,N',N'-tetramethylethylendiamine- κ^2^N,N')ruthenium(II) | - C8 H21 N5 O6 Ru - | - C8 H21 N5 O6 Ru - | - C24 H63 N15 O18 Ru3 - | 3 | 1 | DA1216 | Albores, Pablo; Chaia, Zulema D.; Baraldo, Luis; Castellano, Ernesto E.; Piro, Oscar E. | A complex containing three different kinds of Ru—N bonds: ethoxydinitronitrosyl(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) | Acta Crystallographica Section C | 2,002 | 58 | 4 | m235 | m236 | 10.1107/S0108270102001701 | 1.5418 | CuKα | 0.035 | 0.035 | null | null | 0.094 | 0.094 | null | null | null | null | null | 1.145 | null | null | has coordinates,has Fobs | Albores, Pablo; Chaia, Zulema D.; Baraldo, Luis; Castellano, Ernesto E.; Piro, Oscar E.
A complex containing three different kinds of Ru—N bonds: ethoxydinitronitrosyl(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')ruthenium(II)
Acta Crystallographica Section C
58(4)
(2002)
m235... | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,623 | 10.255 | 0.0015 | 9.509 | 0.0014 | 13.455 | 0.0014 | 90 | null | 99.715 | 0.011 | 90 | null | 1,293.2 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | carbobenzoxy-dehydro-leucyl-alanyl-leucylmethylester | methyl N-(benzyloxycarbonyl)-α,β-dehydroleucyl-L-alanyl-L-leucinate | - C24 H35 N3 O6 - | - C24 H35 N3 O6 - | - C48 H70 N6 O12 - | 2 | 1 | DE1174 | Makker, Jyoti; Dey, Sharmistha; Kumar, Pravindra; Singh, Tej P. | Design of peptides with α,β-dehydro residues: pseudo-tripeptide <i>N</i>-benzyloxycarbonyl–ΔLeu–<small>L</small>-Ala–<small>L</small>-Leu–OCH~3~ | Acta Crystallographica Section C | 2,002 | 58 | 4 | o212 | o214 | 10.1107/S0108270101016468 | 1.5418 | CuKα | 0.0614 | 0.053 | null | null | 0.1472 | 0.1542 | null | null | null | null | null | 1.142 | null | null | has coordinates,has Fobs | Makker, Jyoti; Dey, Sharmistha; Kumar, Pravindra; Singh, Tej P.
Design of peptides with α,β-dehydro residues: pseudo-tripeptide <i>N</i>-benzyloxycarbonyl–ΔLeu–<small>L</small>-Ala–<small>L</small>-Leu–OCH~3~
Acta Crystallographica Section C
58(4)
(2002)
o212-o214 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,624 | 18.3531 | 0.0018 | 10.871 | 0.0012 | 13.821 | 0.0012 | 90 | null | 90 | null | 90 | null | 2,757.5 | 0.5 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | triethylammonium 26,27,28-trihydroxypentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa- 1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-25-olate | - C34 H39 N O4 - | - C34 H39 N O4 - | - C136 H156 N4 O16 - | 4 | 1 | DN1006 | Thuéry, Pierre; Asfari, Zouhair; Nierlich, Martine; Vicens, Jacques | Two triethylammonium ion complexes of monoanionic calix[4]arene | Acta Crystallographica Section C | 2,002 | 58 | 4 | o223 | o225 | 10.1107/S0108270102003220 | 0.71073 | MoKα | 0.1 | 0.057 | null | null | 0.106 | 0.124 | null | null | null | null | null | 1.083 | null | null | has coordinates,has Fobs | Thuéry, Pierre; Asfari, Zouhair; Nierlich, Martine; Vicens, Jacques
Two triethylammonium ion complexes of monoanionic calix[4]arene
Acta Crystallographica Section C
58(4)
(2002)
o223-o225 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,625 | 20.1364 | 0.0014 | 30.908 | 0.0014 | 16.0088 | 0.001 | 90 | null | 118.587 | 0.003 | 90 | null | 8,748.9 | 0.9 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | C 1 c 1 | C -2yc | 9 | tris(triethylammonium) tris{26,27,28-trihydroxypentacyclo[19.3.1.1^3,7^.1^9,13^.1^15,19^]octacosa- 1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-25-olate} acetonitrile solvate | - C104 H120 N4 O12 - | - C104 H120 N4 O12 - | - C416 H480 N16 O48 - | 4 | 1 | DN1006 | Thuéry, Pierre; Asfari, Zouhair; Nierlich, Martine; Vicens, Jacques | Two triethylammonium ion complexes of monoanionic calix[4]arene | Acta Crystallographica Section C | 2,002 | 58 | 4 | o223 | o225 | 10.1107/S0108270102003220 | 0.71073 | MoKα | 0.095 | 0.056 | null | null | 0.12 | 0.14 | null | null | null | null | null | 1.027 | null | null | has coordinates,has Fobs | Thuéry, Pierre; Asfari, Zouhair; Nierlich, Martine; Vicens, Jacques
Two triethylammonium ion complexes of monoanionic calix[4]arene
Acta Crystallographica Section C
58(4)
(2002)
o223-o225 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,626 | 7.7958 | 0.0011 | 9.9319 | 0.0014 | 14.849 | 0.002 | 74.673 | 0.002 | 81.96 | 0.002 | 79.617 | 0.002 | 1,085.5 | 0.3 | 153 | 2 | 153 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | bis(2,2'-bipyridine)(dichromate)copper(II) | - C20 H16 Cr2 Cu N4 O7 - | - C20 H16 Cr2 Cu N4 O7 - | - C40 H32 Cr4 Cu2 N8 O14 - | 2 | 1 | FR1351 | Maggard, Paul A.; Kopf, Amy L.; Stern, Charlotte L.; Poeppelmeier, Kenneth R. | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(dichromato-κ<i>O</i>)copper(II) | Acta Crystallographica Section C | 2,002 | 58 | 4 | m207 | m209 | 10.1107/S0108270101021722 | 0.71073 | MoKα | 0.0469 | 0.039 | null | null | 0.1029 | 0.1088 | null | null | null | null | null | 1.058 | null | null | has coordinates,has Fobs | Maggard, Paul A.; Kopf, Amy L.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.
(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(dichromato-κ<i>O</i>)copper(II)
Acta Crystallographica Section C
58(4)
(2002)
m207-m209 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,627 | 9.923 | 0.003 | 9.527 | 0.003 | 27.337 | 0.007 | 90 | null | 90 | null | 90 | null | 2,584.3 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | 4-aminopyridium 2-chloro-4-nitrobenzoate | - C12 H10 Cl N3 O4 - | - C12 H10 Cl N3 O4 - | - C96 H80 Cl8 N24 O32 - | 8 | 1 | GD1189 | Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo | Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine | Acta Crystallographica Section C | 2,002 | 58 | 4 | o242 | o246 | 10.1107/S0108270102003657 | 0.71073 | MoKα | 0.096 | 0.04 | null | null | 0.097 | 0.137 | null | null | null | null | null | 0.959 | null | null | has coordinates,has Fobs | Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo
Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine
Acta Crystallographica Section C
58(4)
(2002)
o242-o246 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,628 | 12.624 | 0.004 | 7.27 | 0.002 | 14.023 | 0.005 | 90 | null | 96.329 | 0.005 | 90 | null | 1,279.1 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 4-Aminopyridium 2-chloro-5-nitrobenzoate | - C12 H10 Cl N3 O4 - | - C12 H10 Cl N3 O4 - | - C48 H40 Cl4 N12 O16 - | 4 | 1 | GD1189 | Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo | Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine | Acta Crystallographica Section C | 2,002 | 58 | 4 | o242 | o246 | 10.1107/S0108270102003657 | 0.71073 | MoKα | 0.053 | 0.034 | null | null | 0.084 | 0.093 | null | null | null | null | null | 1.017 | null | null | has coordinates,has Fobs | Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo
Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine
Acta Crystallographica Section C
58(4)
(2002)
o242-o246 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,629 | 12.219 | 0.006 | 8.488 | 0.004 | 13.368 | 0.006 | 90 | null | 112.467 | 0.009 | 90 | null | 1,281.2 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 4-Aminopyridium 5-chloro-2-nitrobenzoate | - C12 H10 Cl N3 O4 - | - C12 H10 Cl N3 O4 - | - C48 H40 Cl4 N12 O16 - | 4 | 1 | GD1189 | Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo | Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine | Acta Crystallographica Section C | 2,002 | 58 | 4 | o242 | o246 | 10.1107/S0108270102003657 | 0.71073 | MoKα | 0.114 | 0.049 | null | null | 0.121 | 0.146 | null | null | null | null | null | 0.978 | null | null | has coordinates,has Fobs | Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo
Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine
Acta Crystallographica Section C
58(4)
(2002)
o242-o246 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,630 | 25.608 | 0.019 | 8.475 | 0.006 | 12.433 | 0.01 | 90 | null | 103.749 | 0.014 | 90 | null | 2,621 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 4-Aminopyridium 4-chloro-2-nitrobenzoate | - C12 H10 Cl N3 O4 - | - C12 H10 Cl N3 O4 - | - C96 H80 Cl8 N24 O32 - | 8 | 1 | GD1189 | Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo | Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine | Acta Crystallographica Section C | 2,002 | 58 | 4 | o242 | o246 | 10.1107/S0108270102003657 | 0.71073 | MoKα | 0.065 | 0.037 | null | null | 0.093 | 0.12 | null | null | null | null | null | 1.041 | null | null | has coordinates,has Fobs | Sugiyama, Teruki; Meng, Jiben; Matsuura, Teruo
Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine
Acta Crystallographica Section C
58(4)
(2002)
o242-o246 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,012,631 | 3.513 | 0.002 | 11.802 | 0.002 | 9.191 | 0.001 | 90 | null | 99.5 | 0.02 | 90 | null | 375.8 | 0.2 | 296.2 | null | null | null | null | null | null | null | 5 | P 1 21/m 1 | -P 2yb | 11 | catena-poly[[(6-carboxypyridine-2-carboxylato-κ^3^O,N,O')lithium(I)]-μ- aqua-κ^2^O:O] | - C7 H6 Li N O5 - | - C7 H6 Li N O5 - | - C14 H12 Li2 N2 O10 - | 2 | 0.5 | GG1090 | Odoko, Mamiko; Kusano, Ai; Oya, Naomi; Okabe, Nobuo | A lithium complex of pyridine-2,6-dicarboxylic acid | Acta Crystallographica Section C | 2,002 | 58 | 4 | m215 | m216 | 10.1107/S0108270102002718 | 0.71073 | MoKα | null | 0.068 | null | null | null | 0.235 | null | null | null | null | null | 1.153 | null | null | has coordinates,has Fobs | Odoko, Mamiko; Kusano, Ai; Oya, Naomi; Okabe, Nobuo
A lithium complex of pyridine-2,6-dicarboxylic acid
Acta Crystallographica Section C
58(4)
(2002)
m215-m216 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,632 | 10.418 | 0.004 | 6.627 | 0.003 | 11.733 | 0.005 | 90 | null | 106.29 | 0.02 | 90 | null | 777.5 | 0.6 | 160 | 2 | null | null | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | Aquachloro{2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]diphenolato- κ^4^O,N,N',O'}manganese(III) | - C16 H16 Cl Mn N2 O3 - | - C16 H16 Cl Mn N2 O3 - | - C32 H32 Cl2 Mn2 N4 O6 - | 2 | 1 | GG1092 | Martínez, David; Motevalli, Majid; Watkinson, Michael | Aquachloro[<i>N</i>,<i>N</i>'-ethylenebis(salicylideneiminato)]manganese(III) | Acta Crystallographica Section C | 2,002 | 58 | 4 | m258 | m260 | 10.1107/S0108270102003529 | 0.71073 | MoKα | null | 0.037 | null | null | null | 0.099 | null | null | null | null | null | 1.037 | null | null | has coordinates,has Fobs | Martínez, David; Motevalli, Majid; Watkinson, Michael
Aquachloro[<i>N</i>,<i>N</i>'-ethylenebis(salicylideneiminato)]manganese(III)
Acta Crystallographica Section C
58(4)
(2002)
m258-m260 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012632.cif $
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2,012,633 | 18.3307 | 0.0002 | 10.9887 | 0.0001 | 18.7279 | 0.0002 | 90 | null | 106.172 | 0.0007 | 90 | null | 3,623.1 | 0.07 | 200 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C42 H36 Br F3 Ni P2 - | - C42 H36 Br F3 Ni P2 - | - C168 H144 Br4 F12 Ni4 P8 - | 4 | 1 | GG1096 | Edwards, Alison J.; Wenger, Eric | The seven-membered nickelacycle [NiBr{<i>o</i>-CH=C(CF~3~)C~6~H~4~CH~2~PPh~2~-κ^2^<i>C</i>,<i>P</i>}{PPh(CH~2~Ph)~2~}] | Acta Crystallographica Section C | 2,002 | 58 | 4 | m230 | m231 | 10.1107/S0108270102002883 | 0.71073 | MoKα | null | 0.0312 | null | null | null | 0.0362 | null | null | null | null | null | 1.0509 | null | null | has coordinates,has Fobs | Edwards, Alison J.; Wenger, Eric
The seven-membered nickelacycle [NiBr{<i>o</i>-CH=C(CF~3~)C~6~H~4~CH~2~PPh~2~-κ^2^<i>C</i>,<i>P</i>}{PPh(CH~2~Ph)~2~}]
Acta Crystallographica Section C
58(4)
(2002)
m230-m231 | 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/2/01/26/2012633.cif $
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2,012,634 | 8.8719 | 0.0017 | 12.0961 | 0.0017 | 15.323 | 0.004 | 90 | null | 94.702 | 0.016 | 90 | null | 1,638.9 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | [2-(5-bromo-2-oxidobenzylideneamino)benzoato-κ^3^O,N,O']dimethyltin(IV) | - C16 H14 Br N O3 Sn - | - C16 H14 Br N O3 Sn - | - C64 H56 Br4 N4 O12 Sn4 - | 4 | 1 | GG1098 | Georgina M. Rosair; Dey, Dilip Kumar; Samanta, Brajagopal; Mitra, Samiran | [5-Bromo-<i>N</i>-(2-carboxylatophenyl)salicylideniminato]dimethyltin(IV) | Acta Crystallographica Section C | 2,002 | 58 | 4 | m266 | m267 | 10.1107/S0108270102003530 | 0.71073 | MoKα | 0.053 | 0.042 | null | null | 0.103 | 0.109 | null | null | null | null | null | 1.044 | null | null | has coordinates,has Fobs | Georgina M. Rosair; Dey, Dilip Kumar; Samanta, Brajagopal; Mitra, Samiran
[5-Bromo-<i>N</i>-(2-carboxylatophenyl)salicylideniminato]dimethyltin(IV)
Acta Crystallographica Section C
58(4)
(2002)
m266-m267 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012634.cif $
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2,012,635 | 8.8647 | 0.0002 | 13.3168 | 0.0003 | 15.1469 | 0.0004 | 72.154 | 0.0008 | 78.62 | 0.0009 | 88.348 | 0.0015 | 1,667.63 | 0.07 | 150 | 2 | 150 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | Tetrakis[1-(3-chloropropyl)-1,2,4-triazole- κN^4^]bis(tetrafluoroborato)copper(II) | - C20 H32 B2 Cl4 Cu F8 N12 - | - C20 H32 B2 Cl4 Cu F8 N12 - | - C40 H64 B4 Cl8 Cu2 F16 N24 - | 2 | 1 | GG1102 | Mills, Allison M.; Flinzner, Kristel; Stassen, Arno F.; Haasnoot, Jaap G.; Spek, Anthony L. | Tetrakis[1-(3-chloropropyl)-1,2,4-triazole-κ<i>N</i>^4^]bis(tetrafluoroborato-κ<i>F</i>)copper(II) | Acta Crystallographica Section C | 2,002 | 58 | 4 | m243 | m245 | 10.1107/S0108270102003086 | 0.71073 | MoKα | 0.0785 | 0.0502 | null | null | 0.1153 | 0.1285 | null | null | null | null | null | 1.054 | null | null | has coordinates,has disorder,has Fobs | Mills, Allison M.; Flinzner, Kristel; Stassen, Arno F.; Haasnoot, Jaap G.; Spek, Anthony L.
Tetrakis[1-(3-chloropropyl)-1,2,4-triazole-κ<i>N</i>^4^]bis(tetrafluoroborato-κ<i>F</i>)copper(II)
Acta Crystallographica Section C
58(4)
(2002)
m243-m245 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/26/2012635.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,636 | 8.0859 | 0.0005 | 11.8567 | 0.0007 | 9.2347 | 0.0005 | 90 | null | 113.512 | 0.001 | 90 | null | 811.85 | 0.08 | 296 | 2 | 296 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Caesium molybdenomethylendiphosphonate | - C H3 Cs Mo O8 P2 - | - C H2 Cs Mo O8 P2 - | - C4 H8 Cs4 Mo4 O32 P8 - | 4 | 1 | IZ1019 | Barthelet, Karin; Riou, Didier; Férey, Gerard | CsMoO~2~(HO~3~P‒CH~2~‒PO~3~): a new metallodiphosphonate with a hybrid framework | Acta Crystallographica Section C | 2,002 | 58 | 4 | m264 | m265 | 10.1107/S0108270102003992 | 0.71073 | MoKα | 0.048 | 0.033 | null | 0.09 | null | 0.081 | null | null | 1.068 | null | null | 1.107 | null | null | has coordinates,has Fobs | Barthelet, Karin; Riou, Didier; Férey, Gerard
CsMoO~2~(HO~3~P‒CH~2~‒PO~3~): a new metallodiphosphonate with a hybrid framework
Acta Crystallographica Section C
58(4)
(2002)
m264-m265 | 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/2/01/26/2012636.cif $
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2,012,637 | 9.3225 | 0.0019 | 8.0089 | 0.0017 | 21.651 | 0.005 | 90 | null | 102.263 | 0.005 | 90 | null | 1,579.6 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 2/m 1 | -P 2y | 10 | barium copper indium nitride | tetradecabarium dicopper tetraindium heptanitride | - Ba14 Cu2 In4 N7 - | - Ba14 Cu2 In4 N7 - | - Ba28 Cu4 In8 N14 - | 2 | 0.5 | IZ1020 | Yamane, Hisanori; Sasaki, Shinya; Kubota, Shunichi; Kajiwara, Takashi; Shimada, Masahiko | Ba~14~Cu~2~In~4~N~7~, a new subnitride with isolated nitridocuprate groups and indium clusters | Acta Crystallographica Section C | 2,002 | 58 | 4 | i50 | i52 | 10.1107/S010827010200361X | 0.71073 | MoKα | 0.08 | 0.045 | null | null | 0.102 | 0.112 | null | null | null | null | null | 0.949 | null | null | has coordinates,has Fobs | Yamane, Hisanori; Sasaki, Shinya; Kubota, Shunichi; Kajiwara, Takashi; Shimada, Masahiko
Ba~14~Cu~2~In~4~N~7~, a new subnitride with isolated nitridocuprate groups and indium clusters
Acta Crystallographica Section C
58(4)
(2002)
i50-i52 | 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/2/01/26/2012637.cif $
#-------------------------------------------------------------------... | |||||||||
2,012,638 | 11.752 | 0.003 | 17.795 | 0.003 | 9.594 | 0.003 | 90 | null | 107.95 | 0.03 | 90 | null | 1,908.7 | 0.9 | 220 | 2 | 220 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Poly[[bis(4-methylpyridine-κN)copper(II)]-bis-μ-[[dicyanoargentate(I)- κ^2^N:N']] | - C16 H14 Ag2 Cu N6 - | - C16 H14 Ag2 Cu N6 - | - C64 H56 Ag8 Cu4 N24 - | 4 | 0.5 | JZ1492 | Triščíková, Ľubica; Potočňák, Ivan; Wagner, Christoph | Low-dimensional compounds containing cyano groups. I. <i>catena</i>-Poly[[[dicyanoargentato(I)-κ<i>N</i>]bis(4-methylpyridine-κ<i>N</i>)copper(II)]-μ-dicyanoargentato(I)-κ^2^<i>N</i>:<i>N</i>'] | Acta Crystallographica Section C | 2,002 | 58 | 4 | m246 | m248 | 10.1107/S0108270102002123 | 0.71073 | MoKα | 0.025 | 0.019 | null | null | 0.047 | 0.049 | null | null | null | null | null | 1.01 | null | null | has coordinates,has Fobs | Triščíková, Ľubica; Potočňák, Ivan; Wagner, Christoph
Low-dimensional compounds containing cyano groups. I. <i>catena</i>-Poly[[[dicyanoargentato(I)-κ<i>N</i>]bis(4-methylpyridine-κ<i>N</i>)copper(II)]-μ-dicyanoargentato(I)-κ^2^<i>N</i>:<i>N</i>']
Acta Crystallographica Section C
58(4)
(2002)
m246-m248 | 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/2/01/26/2012638.cif $
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2,012,639 | 42.785 | 0.012 | 10.32 | 0.014 | 32.238 | 0.011 | 90 | null | 130.785 | 0.012 | 90 | null | 10,778 | 15 | 193 | 2 | 193 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | cis-[1,2-Bis(diisopropylphosphino-κP)-1,2-dicarba-closo- dodecaborane]dichloroplatinum(II) dichloromethane hemisolvate | - C14.5 H39 B10 Cl3 P2 Pt - | - C14.5 H39 B10 Cl3 P2 Pt - | - C232 H624 B160 Cl48 P32 Pt16 - | 16 | 2 | JZ1494 | Paavola, Sari; Teixidor, Francesc; Viñas, Clara; Kivekäs, Raikko | <i>cis</i>-[1,2-Bis(diisopropylphosphino-κ<i>P</i>)-1,2-dicarba-<i>closo</i>-dodecaborane]dichloroplatinum(II) dichloromethane hemisolvate | Acta Crystallographica Section C | 2,002 | 58 | 4 | m237 | m239 | 10.1107/S0108270102002184 | 0.71073 | MoKα | 0.124 | 0.068 | null | null | 0.133 | 0.146 | null | null | null | null | null | 1.037 | null | null | has coordinates,has disorder,has Fobs | Paavola, Sari; Teixidor, Francesc; Viñas, Clara; Kivekäs, Raikko
<i>cis</i>-[1,2-Bis(diisopropylphosphino-κ<i>P</i>)-1,2-dicarba-<i>closo</i>-dodecaborane]dichloroplatinum(II) dichloromethane hemisolvate
Acta Crystallographica Section C
58(4)
(2002)
m237-m239 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012639.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,640 | 8.5466 | 0.0012 | 12.1018 | 0.0016 | 12.9993 | 0.0016 | 109.293 | 0.014 | 99.966 | 0.016 | 95.14 | 0.01 | 1,234.2 | 0.3 | 160 | 2 | 160 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | (BETS)Fe(tdas)~2~ | bis[4,5-ethylenedithio-2-(4,5-ethylenedithio-1,3-diselenacyclopent-4-en-2- ylidene)-1,3-diselenacyclopent-4-enium] bis(μ-1,2,5-thiadiazole-3,4-dithiolato-κ^3^S^4^,S^5^:S^4^)- bis[(1,2,5-thiadiazole-3,4-dithiolato-κ^2^S^4^,S^5^)iron(III)] | - C28 H16 Fe2 N8 S20 Se8 - | - C28 H16 Fe2 N8 S20 Se8 - | - C28 H16 Fe2 N8 S20 Se8 - | 1 | 0.5 | JZ1495 | Pilia, Luca; Faulmann, Christophe; Malfant, Isabelle; Collière, Vincent; Mercuri, Maria Laura; Deplano, Paola; Cassoux, Patrick | (BETS)~2~[Fe(tdas)~2~]~2~: a new metal in the molecular conductor family | Acta Crystallographica Section C | 2,002 | 58 | 4 | m240 | m242 | 10.1107/S010827010200330X | 0.71073 | MoKα | 0.049 | 0.033 | null | null | 0.068 | 0.073 | null | null | null | null | null | 0.982 | null | null | has coordinates,has Fobs | Pilia, Luca; Faulmann, Christophe; Malfant, Isabelle; Collière, Vincent; Mercuri, Maria Laura; Deplano, Paola; Cassoux, Patrick
(BETS)~2~[Fe(tdas)~2~]~2~: a new metal in the molecular conductor family
Acta Crystallographica Section C
58(4)
(2002)
m240-m242 | 197,043 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-05-30 17:58:23 +0300 (Tue, 30 May 2017) $
#$Revision: 197043 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012640.cif $
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2,012,641 | 20.598 | 0.004 | 20.598 | 0.004 | 14.07 | 0.008 | 90 | null | 90 | null | 90 | null | 5,970 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | I 41/a :2 | -I 4ad | 88 | Tetra-μ-acetato-κ^2^O:O'-bis[(4-phenylpyridine-κN)copper(II)] | - C30 H30 Cu2 N2 O8 - | - C30 H30 Cu2 N2 O8 - | - C240 H240 Cu16 N16 O64 - | 8 | 0.5 | JZ1496 | Tong, Ming-Liang; Li, Wei; Chen, Xiao-Ming; Zheng, Shao-Liang; Ng, Seik Weng | Tetra-μ-acetato-κ^2^<i>O</i>:<i>O</i>'-bis[(4-phenylpyridine-κ<i>N</i>)copper(II)] | Acta Crystallographica Section C | 2,002 | 58 | 4 | m232 | m234 | 10.1107/S0108270102002962 | 0.71073 | MoKα | 0.1 | 0.053 | null | null | 0.121 | 0.14 | null | null | null | null | null | 1.028 | null | null | has coordinates,has Fobs | Tong, Ming-Liang; Li, Wei; Chen, Xiao-Ming; Zheng, Shao-Liang; Ng, Seik Weng
Tetra-μ-acetato-κ^2^<i>O</i>:<i>O</i>'-bis[(4-phenylpyridine-κ<i>N</i>)copper(II)]
Acta Crystallographica Section C
58(4)
(2002)
m232-m234 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/26/2012641.cif $
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2,012,642 | 7.632 | 0.004 | 10.341 | 0.005 | 6.289 | 0.005 | 90 | null | 112.77 | 0.04 | 90 | null | 457.7 | 0.5 | 203 | 2 | 203 | 2 | null | null | null | null | 4 | P 1 21/m 1 | -P 2yb | 11 | tert-Butyltrichlorotin(IV) | tert-Butyltrichlorotin(IV) | - C4 H9 Cl3 Sn - | - C4 H9 Cl3 Sn - | - C8 H18 Cl6 Sn2 - | 2 | 0.5 | LN1131 | Reuter, Hans; Eickmeier, Henning; Puff, Heinrich; Beckermann, Norbert; Hänssgen, Dieter | Tin‒halide compounds. IV. <i>tert</i>-Butyltrichlorotin(IV) | Acta Crystallographica Section C | 2,002 | 58 | 4 | m217 | m218 | 10.1107/S0108270102001737 | 0.71073 | MoKα | 0.036 | 0.036 | null | null | 0.101 | 0.101 | null | null | null | null | null | 1.149 | null | null | has coordinates,has Fobs | Reuter, Hans; Eickmeier, Henning; Puff, Heinrich; Beckermann, Norbert; Hänssgen, Dieter
Tin‒halide compounds. IV. <i>tert</i>-Butyltrichlorotin(IV)
Acta Crystallographica Section C
58(4)
(2002)
m217-m218 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/26/2012642.cif $
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2,012,643 | 11.036 | 0.001 | 12.348 | 0.001 | 14.002 | 0.001 | 76.35 | 0.01 | 77.19 | 0.01 | 70.82 | 0.01 | 1,729.5 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | Bis-[hydrogen-1,1'-bis(diphenylphosphinato)ferrocenium octachlorodiantimony(III) | - C68 H58 Cl8 Fe2 O4 P4 Sb2 - | - C68 H58 Cl8 Fe2 O4 P4 Sb2 - | - C68 H58 Cl8 Fe2 O4 P4 Sb2 - | 1 | 0.5 | LN1132 | Razak, Ibrahim Abdul; Usman, Anwar; Fun, Hoong-Kun; Yamin, Bohari M.; Kassim, Nor Azilah M. | Bis[hydrogen 1,1'-bis(diphenylphosphinato)ferrocenium] octachlorodiantimony(III) | Acta Crystallographica Section C | 2,002 | 58 | 4 | m225 | m227 | 10.1107/S0108270102002056 | 0.71073 | MoKα | 0.0307 | 0.0272 | null | null | 0.074 | 0.0755 | null | null | null | null | null | 1.056 | null | null | has coordinates,has Fobs | Razak, Ibrahim Abdul; Usman, Anwar; Fun, Hoong-Kun; Yamin, Bohari M.; Kassim, Nor Azilah M.
Bis[hydrogen 1,1'-bis(diphenylphosphinato)ferrocenium] octachlorodiantimony(III)
Acta Crystallographica Section C
58(4)
(2002)
m225-m227 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/26/2012643.cif $
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2,012,644 | 13.204 | 0.001 | 9.694 | 0.001 | 13.655 | 0.001 | 90 | null | 117.11 | 0.01 | 90 | null | 1,555.8 | 0.3 | 190 | 2 | 190 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Diphenylmonoethylphosphine-dithiomonometaphosphoryl chloride | - C14 H15 Cl P2 S2 - | - C14 H15 Cl P2 S2 - | - C56 H60 Cl4 P8 S8 - | 4 | 1 | LN1136 | Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian | Triorganophosphine–dithiomonometaphosphoryl halides | Acta Crystallographica Section C | 2,002 | 58 | 4 | o247 | o250 | 10.1107/S0108270102004080 | 0.71073 | MoKα | 0.03 | 0.028 | null | null | 0.08 | 0.081 | null | null | null | null | null | 1.067 | null | null | has coordinates,has Fobs | Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian
Triorganophosphine–dithiomonometaphosphoryl halides
Acta Crystallographica Section C
58(4)
(2002)
o247-o250 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/26/2012644.cif $
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2,012,645 | 11.413 | 0.003 | 11.413 | 0.004 | 13.566 | 0.003 | 90 | null | 90 | null | 120 | null | 1,530.3 | 0.8 | 180 | 2 | 180 | 2 | null | null | null | null | 5 | P -3 c 1 | -P 3 2"c | 165 | Tris-n-propylphosphine-dithiomonometaphosphoryl chloride | - C9 H21 Cl P2 S2 - | - C9 H21 Cl0.99999 P2 S2.00001 - | - C36 H84 Cl3.99996 P8 S8.00004 - | 4 | 0.333333 | LN1136 | Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian | Triorganophosphine‒dithiomonometaphosphoryl halides | Acta Crystallographica Section C | 2,002 | 58 | 4 | o247 | o250 | 10.1107/S0108270102004080 | 0.71073 | MoKα | 0.022 | 0.022 | null | null | 0.053 | 0.054 | null | null | null | null | null | 1.101 | null | null | has coordinates | Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian
Triorganophosphine‒dithiomonometaphosphoryl halides
Acta Crystallographica Section C
58(4)
(2002)
o247-o250 | 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/2/01/26/2012645.cif $
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2,012,646 | 11.522 | 0.003 | 11.522 | 0.003 | 13.45 | 0.004 | 90 | null | 90 | null | 120 | null | 1,546.4 | 0.7 | 180 | 2 | 180 | 2 | null | null | null | null | 5 | P -3 c 1 | -P 3 2"c | 165 | Tris-n-propylphosphine-dithiomonometaphosphoryl bromide | - C9 H21 Br P2 S2 - | - C9 H21 Br0.9999 P2 S2.0001 - | - C36 H84 Br3.9996 P8 S8.0004 - | 4 | 0.333333 | LN1136 | Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian | Triorganophosphine‒dithiomonometaphosphoryl halides | Acta Crystallographica Section C | 2,002 | 58 | 4 | o247 | o250 | 10.1107/S0108270102004080 | 0.71073 | MoKα | 0.06 | 0.033 | null | null | 0.057 | 0.061 | null | null | null | null | null | 0.892 | null | null | has coordinates,has Fobs | Rabis, Annegrit; Ziemer, Burkhard; Wulff-Molder, Dirk; Meisel, Manfred; Beck, Sebastian
Triorganophosphine‒dithiomonometaphosphoryl halides
Acta Crystallographica Section C
58(4)
(2002)
o247-o250 | 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/2/01/26/2012646.cif $
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2,012,647 | 22.1109 | 0.0004 | 6.9308 | 0.0001 | 22.1109 | 0.0004 | 90 | null | 95.128 | 0.001 | 90 | null | 3,374.85 | 0.1 | 213 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1-Acetyl-3-[1-(4-methoxyphenyl)-2-oxopropylidene]indol-2(3H)-one | - C20 H17 N O4 - | - C20 H17 N O4 - | - C160 H136 N8 O32 - | 8 | 2 | NA1555 | Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua | 1-Acetyl-3-[1-(4-methoxyphenyl)-2-oxopropylidene]-1<i>H</i>-indol-2(3<i>H</i>)-one: a twinned crystal | Acta Crystallographica Section C | 2,002 | 58 | 4 | o239 | o241 | 10.1107/S0108270102003542 | 0.71073 | MoKα | 0.131 | 0.057 | null | null | 0.122 | 0.145 | null | null | null | null | null | 0.822 | null | null | has coordinates,has Fobs | Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua
1-Acetyl-3-[1-(4-methoxyphenyl)-2-oxopropylidene]-1<i>H</i>-indol-2(3<i>H</i>)-one: a twinned crystal
Acta Crystallographica Section C
58(4)
(2002)
o239-o241 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
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2,012,648 | 14.877 | 0.004 | 14.775 | 0.003 | 15.581 | 0.004 | 90 | null | 115.8 | 0.02 | 90 | null | 3,083.4 | 1.4 | 296.2 | null | null | null | null | null | null | null | 7 | P 1 21/a 1 | -P 2yab | 14 | cyclo-tetrakis(μ-1,4,7-trithiacyclononane- κ^3^S^1^,S^4^,S^7^:κS^1^)tetrasilver(I) tetrakis(trifluoromethanesulfonate) nitromethane disolvate | - C30 H54 Ag4 F12 N2 O16 S16 - | - C30 H54 Ag4 F12 N2 O16 S16 - | - C60 H108 Ag8 F24 N4 O32 S32 - | 2 | 0.5 | OA1126 | Yamaguchi, Tadashi; Yamazaki, Fumie; Ito, Tasuku | A cyclic tetramer of [Ag(1,4,7-trithiacyclononane)]^+^, <i>cyclo</i>-tetrakis(μ-1,4,7-trithiacyclononane-κ^3^<i>S</i>^1^,<i>S</i>^4^,<i>S</i>^7^:κ<i>S</i>^1^)tetrasilver(I) tetrakis(trifluoromethanesulfonate) nitromethane disolvate | Acta Crystallographica Section C | 2,002 | 58 | 4 | m213 | m214 | 10.1107/S0108270102001075 | 0.7107 | MoKα | null | 0.047 | null | null | null | 0.133 | null | null | null | null | null | 1.18 | null | null | has coordinates,has Fobs | Yamaguchi, Tadashi; Yamazaki, Fumie; Ito, Tasuku
A cyclic tetramer of [Ag(1,4,7-trithiacyclononane)]^+^, <i>cyclo</i>-tetrakis(μ-1,4,7-trithiacyclononane-κ^3^<i>S</i>^1^,<i>S</i>^4^,<i>S</i>^7^:κ<i>S</i>^1^)tetrasilver(I) tetrakis(trifluoromethanesulfonate) nitromethane disolvate
Acta Crystallographica Section C
58(4)
... | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,012,649 | 9.583 | 0.002 | 10.74 | 0.002 | 15.247 | 0.003 | 106.79 | 0.03 | 90.65 | 0.02 | 104.09 | 0.03 | 1,451.5 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | pyrazinethione | 1-Methyl-5,6-diphenyl-2(1H)-pyrazinethione | - C17 H14 N2 S - | - C17 H14 N2 S - | - C68 H56 N8 S4 - | 4 | 2 | OA1129 | Zolotoy, Alexander B.; Botoshansky, Mark; Kaftory, Menahem; Scheffer, John R.; Yang, Jie | 1-Methyl-5,6-diphenylpyrazine-2(1<i>H</i>)-thione | Acta Crystallographica Section C | 2,002 | 58 | 4 | o220 | o222 | 10.1107/S0108270102001105 | 0.71073 | MoKα | 0.1449 | 0.0494 | null | null | 0.091 | 0.1072 | null | null | null | null | null | 0.811 | null | null | has coordinates | Zolotoy, Alexander B.; Botoshansky, Mark; Kaftory, Menahem; Scheffer, John R.; Yang, Jie
1-Methyl-5,6-diphenylpyrazine-2(1<i>H</i>)-thione
Acta Crystallographica Section C
58(4)
(2002)
o220-o222 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,650 | 3.7663 | 0.0006 | 16.1667 | 0.0012 | 5.5705 | 0.0004 | 90 | null | 93.156 | 0.007 | 90 | null | 338.67 | 0.06 | 300 | 2 | 300 | 2 | null | null | null | null | 4 | P 1 21/m 1 | -P 2yb | 11 | Dipicolinic acid | 2,6-pyridinedicarboxylic acid | - C7 H5 N O4 - | - C7 H5 N O4 - | - C14 H10 N2 O8 - | 2 | 0.5 | SK1531 | Carranza Téllez, Vladimir; Sánchez Gaytán, Brenda; Bernès, Sylvain; González Vergara, Enrique | The supramolecular structure of pyridine-2,6-dicarboxylic acid | Acta Crystallographica Section C | 2,002 | 58 | 4 | o228 | o230 | 10.1107/S0108270102002172 | 0.71073 | MoKα | 0.043 | 0.04 | null | null | 0.118 | 0.121 | null | null | null | null | null | 1.061 | null | null | has coordinates,has Fobs | Carranza Téllez, Vladimir; Sánchez Gaytán, Brenda; Bernès, Sylvain; González Vergara, Enrique
The supramolecular structure of pyridine-2,6-dicarboxylic acid
Acta Crystallographica Section C
58(4)
(2002)
o228-o230 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,012,651 | 36.449 | 0.003 | 9.082 | 0.002 | 11.636 | 0.002 | 90 | null | 106.1 | 0.07 | 90 | null | 3,700.8 | 1.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Tos-Aib-ONP~o~ | 2-nitrophenyl 2-methyl-2-(para-toluenesulfonylamino)propanoate | - C17 H18 N2 O6 S - | - C17 H18 N2 O6 S - | - C136 H144 N16 O48 S8 - | 8 | 1 | SK1532 | Crisma, Marco; Toniolo, Claudio | Reactive intermediates in peptide synthesis. <i>ortho</i>-Nitrophenyl <i>N</i>^{α^}-<i>para</i>-toluenesulfonyl-α-aminoisobutyrate | Acta Crystallographica Section C | 2,002 | 58 | 4 | o215 | o217 | 10.1107/S0108270102002020 | 0.71073 | MoKα | 0.102 | 0.047 | null | null | 0.12 | 0.144 | null | null | null | null | null | 0.918 | null | null | has coordinates,has Fobs | Crisma, Marco; Toniolo, Claudio
Reactive intermediates in peptide synthesis. <i>ortho</i>-Nitrophenyl <i>N</i>^{α^}-<i>para</i>-toluenesulfonyl-α-aminoisobutyrate
Acta Crystallographica Section C
58(4)
(2002)
o215-o217 | 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/2/01/26/2012651.cif $
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2,012,652 | 24.388 | 0.005 | 12.47 | 0.002 | 18.425 | 0.004 | 90 | null | 127.74 | 0.03 | 90 | null | 4,431 | 2 | 200 | null | 200 | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | Hexaaquadodecabromohexatantalum(I,II) bis(tetramethylammonium) tetrabromide dihydrate | - C8 H40 Br16 N2 O8 Ta6 - | - C8 H40 Br16 N2 O8 Ta6 - | - C32 H160 Br64 N8 O32 Ta24 - | 4 | 0.5 | SK1533 | Vojnović, Marija; Jozić, Dražan; Giester, Gerald; Perić, Berislav; Planinić, Pavica; Brničević, Nevenka | Bis(tetramethylammonium) hexaaquadodeca-μ-bromo-<i>octahedro</i>-hexatantalum tetrabromide dihydrate | Acta Crystallographica Section C | 2,002 | 58 | 4 | m219 | m220 | 10.1107/S0108270102001841 | 0.71073 | MoKα | 0.036 | 0.028 | null | null | 0.066 | 0.069 | null | null | null | null | null | 1.074 | null | null | has coordinates,has Fobs | Vojnović, Marija; Jozić, Dražan; Giester, Gerald; Perić, Berislav; Planinić, Pavica; Brničević, Nevenka
Bis(tetramethylammonium) hexaaquadodeca-μ-bromo-<i>octahedro</i>-hexatantalum tetrabromide dihydrate
Acta Crystallographica Section C
58(4)
(2002)
m219-m220 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,012,653 | 6.4715 | 0.0001 | 12.2447 | 0.0003 | 13.0098 | 0.0004 | 77.2052 | 0.001 | 76.6823 | 0.001 | 84.3491 | 0.0016 | 977.06 | 0.04 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1,6-Diaminohexane–1,1,1-tris(4-hydroxyphenyl)ethane (1/2) | - C46 H52 N2 O6 - | - C46 H52 N2 O6 - | - C46 H52 N2 O6 - | 1 | 0.5 | SK1534 | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher | Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with diamines: three-dimensional hydrogen-bonded frameworks formed with 1,6-diaminohexane and 2,2'-bipyridyl | Acta Crystallographica Section C | 2,002 | 58 | 4 | o204 | o208 | 10.1107/S0108270102001488 | 0.71073 | MoKα | 0.054 | 0.041 | null | null | 0.101 | 0.109 | null | null | null | null | null | 1.048 | null | null | has coordinates,has Fobs | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with diamines: three-dimensional hydrogen-bonded frameworks formed with 1,6-diaminohexane and 2,2'-bipyridyl
Acta Crystallographica Section C
58(4)
(2002)
o204-o208 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,654 | 12.1021 | 0.0004 | 10.771 | 0.0004 | 15.2142 | 0.0006 | 90 | null | 90.28 | 0.0017 | 90 | null | 1,983.17 | 0.13 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2,2'-Bipyridyl–1,1,1-tris(4-hydroxyphenyl)ethane (1/2) | - C50 H44 N2 O6 - | - C50 H44 N2 O6 - | - C100 H88 N4 O12 - | 2 | 0.5 | SK1534 | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher | Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with diamines: three-dimensional hydrogen-bonded frameworks formed with 1,6-diaminohexane and 2,2'-bipyridyl | Acta Crystallographica Section C | 2,002 | 58 | 4 | o204 | o208 | 10.1107/S0108270102001488 | 0.71073 | MoKα | 0.063 | 0.044 | null | null | 0.106 | 0.117 | null | null | null | null | null | 1.039 | null | null | has coordinates,has Fobs | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with diamines: three-dimensional hydrogen-bonded frameworks formed with 1,6-diaminohexane and 2,2'-bipyridyl
Acta Crystallographica Section C
58(4)
(2002)
o204-o208 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,655 | 7.154 | 0.0003 | 7.875 | 0.0002 | 8.0352 | 0.0003 | 73.882 | 0.0016 | 85.7214 | 0.0013 | 80.9841 | 0.0015 | 429.29 | 0.03 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | S-(4-Nitrophenyl)thioglycolic acid | [(4-nitrophenyl)sulfanyl]acetic acid | - C8 H7 N O4 S - | - C8 H7 N O4 S - | - C16 H14 N2 O8 S2 - | 2 | 1 | SK1535 | Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L. | Hydrogen-bonded molecular ladders in <i>S</i>-(4-nitrophenyl)thioglycolic acid | Acta Crystallographica Section C | 2,002 | 58 | 4 | o201 | o203 | 10.1107/S0108270102001786 | 0.71073 | MoKα | 0.038 | 0.032 | null | null | 0.086 | 0.089 | null | null | null | null | null | 1.076 | null | null | has coordinates,has Fobs | Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
Hydrogen-bonded molecular ladders in <i>S</i>-(4-nitrophenyl)thioglycolic acid
Acta Crystallographica Section C
58(4)
(2002)
o201-o203 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$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/2/01/26/2012655.cif $
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2,012,656 | 8.2573 | 0.0002 | 10.2229 | 0.0002 | 17.6996 | 0.0005 | 90 | null | 90 | null | 90 | null | 1,494.09 | 0.06 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | catena-Poly[[triphenyltin(IV)]-μ-hydroxo-κ^2^O:O] | - C18 H16 O Sn - | - C18 H16 O Sn - | - C72 H64 O4 Sn4 - | 4 | 1 | SK1536 | Glidewell, Christopher; Low, John N.; Bomfim, João A. S.; Filgueiras, Carlos A. L.; Wardell, James L. | <i>catena</i>-Poly[[triphenyltin(IV)]-μ-hydroxo-κ^2^<i>O</i>:<i>O</i>] at 120K | Acta Crystallographica Section C | 2,002 | 58 | 4 | m199 | m201 | 10.1107/S0108270102001798 | 0.71073 | MoKα | 0.029 | 0.025 | null | null | 0.058 | 0.06 | null | null | null | null | null | 1 | null | null | has coordinates,has Fobs | Glidewell, Christopher; Low, John N.; Bomfim, João A. S.; Filgueiras, Carlos A. L.; Wardell, James L.
<i>catena</i>-Poly[[triphenyltin(IV)]-μ-hydroxo-κ^2^<i>O</i>:<i>O</i>] at 120K
Acta Crystallographica Section C
58(4)
(2002)
m199-m201 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,012,657 | 7.5113 | 0.0014 | 7.2791 | 0.0013 | 13.898 | 0.003 | 90 | null | 90 | null | 90 | null | 759.9 | 0.3 | 120 | 2 | 120 | 2 | null | null | null | null | 5 | P c a 21 | P 2c -2ac | 29 | 4-Aminobenzenesulfonic acid | - C6 H7 N O3 S - | - C6 H7 N O3 S - | - C24 H28 N4 O12 S4 - | 4 | 1 | SK1537 | Low, John N.; Glidewell, Christopher; . | A quasi-diamondoid hydrogen-bonded framework in anhydrous sulfanilic acid | Acta Crystallographica Section C | 2,002 | 58 | 4 | o209 | o211 | 10.1107/S0108270102003025 | 0.71073 | MoKα | 0.0262 | 0.0252 | null | null | 0.0688 | 0.0692 | null | null | null | null | null | 1.105 | null | null | has coordinates,has Fobs | Low, John N.; Glidewell, Christopher; .
A quasi-diamondoid hydrogen-bonded framework in anhydrous sulfanilic acid
Acta Crystallographica Section C
58(4)
(2002)
o209-o211 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,658 | 12.287 | 0.004 | 14.352 | 0.004 | 24.719 | 0.003 | 90 | null | 90 | null | 90 | null | 4,359 | 1.9 | 296.2 | null | 296.2 | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C17 H7 Ir3 Mo O11 - | - C17 H7 Ir3 Mo O11 - | - C136 H56 Ir24 Mo8 O88 - | 8 | 1 | TA1356 | Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G. | Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum | Acta Crystallographica Section C | 2,002 | 58 | 4 | m249 | m251 | 10.1107/S0108270101020558 | 0.7107 | MoKα | 0.059 | 0.034 | null | 0.0366 | null | 0.0343 | null | null | 1.43 | null | null | 1.549 | null | null | has coordinates | Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.
Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum
Acta Crystallograp... | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,012,659 | 11.543 | 0.005 | 17.198 | 0.009 | 25.382 | 0.006 | 90 | null | 90 | null | 90 | null | 5,039 | 4 | 296.2 | null | 296.2 | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C20 H13 Ir3 Mo O11 - | - C20 H13 Ir3 Mo O11 - | - C160 H104 Ir24 Mo8 O88 - | 8 | 1 | TA1356 | Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G. | Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum | Acta Crystallographica Section C | 2,002 | 58 | 4 | m249 | m251 | 10.1107/S0108270101020558 | 0.7107 | MoKα | 0.0748 | 0.0384 | null | 0.0382 | null | 0.0341 | null | null | 1.23 | null | null | 1.312 | null | null | has coordinates,has Fobs | Lucas, Nigel T.; Whittall, Ian R.; Humphrey, Mark G.
Undecacarbonyl(methylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum, undecacarbonyl(tetramethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum and undecacarbonyl(pentamethylcyclopentadienyl)-<i>tetrahedro</i>-triiridiummolybdenum
Acta Crystallograp... | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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