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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,004,832 | 21.526 | 0.006 | 6.447 | 0.001 | 12.479 | 0.002 | 90 | null | 112.54 | 0.02 | 90 | null | 1,599.5 | 0.6 | 296 | null | null | null | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | 15 | - C8 H20 B Co F4 N6 O4 - | - C8 H20 B Co F4 N6 O4 - | - C32 H80 B4 Co4 F16 N24 O16 - | 4 | 0.5 | BK1127 | Xu, L.; Xu, D.; Xu, Y.; Gu, J. | Diamminebis[dimethylglyoximato(1‒)]cobalt(III) Fluoborate and Perchlorate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1119 | 1122 | 10.1107/S010827019501568X | 0.71073 | MoKα | null | 0.035 | null | null | 0.049 | null | null | null | null | 1.48 | 1.48 | null | null | null | has coordinates | Xu, L.; Xu, D.; Xu, Y.; Gu, J.
Diamminebis[dimethylglyoximato(1‒)]cobalt(III) Fluoborate and Perchlorate
Acta Crystallographica Section C
52(5)
(1996)
1119-1122 | 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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2,004,833 | 21.56 | 0.01 | 6.438 | 0.001 | 12.51 | 0.006 | 90 | null | 111.87 | 0.04 | 90 | null | 1,611.5 | 1.2 | 296 | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C8 H20 Cl Co N6 O8 - | - C8 H20 Cl Co N6 O8 - | - C32 H80 Cl4 Co4 N24 O32 - | 4 | 0.5 | BK1127 | Xu, L.; Xu, D.; Xu, Y.; Gu, J. | Diamminebis[dimethylglyoximato(1‒)]cobalt(III) Fluoborate and Perchlorate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1119 | 1122 | 10.1107/S010827019501568X | 0.71073 | MoKα | null | 0.049 | null | null | 0.055 | null | null | null | null | 1.81 | 1.81 | null | null | null | has coordinates | Xu, L.; Xu, D.; Xu, Y.; Gu, J.
Diamminebis[dimethylglyoximato(1‒)]cobalt(III) Fluoborate and Perchlorate
Acta Crystallographica Section C
52(5)
(1996)
1119-1122 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,004,834 | 13.0354 | 0.0008 | 6.3471 | 0.0005 | 15.8833 | 0.0014 | 90 | null | 107.217 | 0.006 | 90 | null | 1,255.25 | 0.17 | 168 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C30 H24 Cl2 S2 - | - C30 H24 Cl2 S2 - | - C60 H48 Cl4 S4 - | 2 | 0.5 | BK1148 | Freeman, F.; Lu, H.; Ziller, J. W. | (1<i>Z</i>,3<i>Z</i>)-1,4-Diphenyl-1,4-bis(3-chlorophenylmethylthio)buta-1,3-diene | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1207 | 1209 | 10.1107/S0108270195012108 | 0.71073 | MoKα | null | 0.043 | null | null | 0.064 | null | null | null | null | 1.61 | 1.61 | null | null | null | has coordinates | Freeman, F.; Lu, H.; Ziller, J. W.
(1<i>Z</i>,3<i>Z</i>)-1,4-Diphenyl-1,4-bis(3-chlorophenylmethylthio)buta-1,3-diene
Acta Crystallographica Section C
52(5)
(1996)
1207-1209 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,835 | 8.2 | 0.008 | 13.326 | 0.009 | 32.093 | 0.006 | 90 | null | 90 | null | 90 | null | 3,507 | 4 | 294 | null | null | null | null | null | null | null | 5 | P b c a | null | - C18 H17 N O5 S - | - C18 H17 N O5 S - | - C144 H136 N8 O40 S8 - | 8 | 1 | BK1150 | Kumaradhas, P.; Nirmala, K. A. | <i>cis</i>-(±)-3-Acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-Oxide | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1259 | 1261 | 10.1107/S0108270195015411 | 0.7093 | MoKα | null | 0.0455 | null | null | 0.1374 | null | null | null | null | 1.205 | 1.205 | null | null | null | has coordinates | Kumaradhas, P.; Nirmala, K. A.
<i>cis</i>-(±)-3-Acetoxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-Oxide
Acta Crystallographica Section C
52(5)
(1996)
1259-1261 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,836 | 8.752 | 0.002 | 27.084 | 0.005 | 17.973 | 0.002 | 90 | null | 90 | null | 90 | null | 4,260.3 | 1.3 | 295 | null | null | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | null | - C16 H38 Cl N O4 - | - C16 H38 Cl N O4 - | - C128 H304 Cl8 N8 O32 - | 8 | 1 | BK1156 | Miguel, O. G.; Pizzolatti, M. G.; Yunes, R. A.; Vencato, I.; Calixto, J. B.; Santos, A. R. S.; Contin, A.; Moreira, E. A. | <i>cis</i>-8,10-Di-<i>n</i>-propyllobelidiol Hydrochloride Dihydrate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1223 | 1225 | 10.1107/S0108270195014636 | 0.7093 | MoKα | null | 0.0609 | null | null | 0.067 | null | null | null | null | 4.45 | 4.45 | null | null | null | has coordinates | Miguel, O. G.; Pizzolatti, M. G.; Yunes, R. A.; Vencato, I.; Calixto, J. B.; Santos, A. R. S.; Contin, A.; Moreira, E. A.
<i>cis</i>-8,10-Di-<i>n</i>-propyllobelidiol Hydrochloride Dihydrate
Acta Crystallographica Section C
52(5)
(1996)
1223-1225 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/48/2004836.cif $
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2,004,837 | 14.891 | 0.002 | 7.3102 | 0.0011 | 16.1682 | 0.001 | 90 | null | 92.38 | 0.007 | 90 | null | 1,758.5 | 0.4 | 295 | null | 295 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 4,4-Dibenzyl-1,4-dihydroisoquinoline | 4,4-Dibenzyl-1,4-dihydroisoquinoline | - C23 H21 N - | - C23 H21 N - | - C92 H84 N4 - | 4 | 1 | BK1166 | Minter, D. E.; Hinkle, K. W.; Krawiec, M.; Watson, W. H. | 4,4-Dibenzyl-1,4-dihydroisoquinoline | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1236 | 1238 | 10.1107/S010827019501599X | 1.54178 | CuKα | 0.0603 | 0.0603 | null | 0.1022 | 0.1022 | null | null | null | 2.26 | 2.26 | 2.26 | null | null | null | has coordinates | Minter, D. E.; Hinkle, K. W.; Krawiec, M.; Watson, W. H.
4,4-Dibenzyl-1,4-dihydroisoquinoline
Acta Crystallographica Section C
52(5)
(1996)
1236-1238 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/48/2004837.cif $
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2,004,838 | 8.366 | 0.001 | 23.193 | 0.002 | 6.854 | 0.001 | 90 | null | 90 | null | 90 | null | 1,329.9 | 0.3 | 294.2 | null | 294.2 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C13 H20 N2 S2 - | - C13 H20 N2 S2 - | - C52 H80 N8 S8 - | 4 | 1 | BK1172 | Hussain, Z.; Fleming, F. F.; Norman, R. E.; Chang, S.-C. | (9<i>S</i>,9a<i>R</i>)-1,3,4,6,7,8,9,9a-Octahydro-2<i>H</i>-quinolizine-1-spiro-2'-(1',3'-dithiane)-9-carbonitrile | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1296 | 1298 | 10.1107/S0108270195014016 | 0.7107 | MoKα | null | 0.0316 | null | null | 0.0278 | null | null | null | null | 1.646 | 1.646 | null | null | null | has coordinates | Hussain, Z.; Fleming, F. F.; Norman, R. E.; Chang, S.-C.
(9<i>S</i>,9a<i>R</i>)-1,3,4,6,7,8,9,9a-Octahydro-2<i>H</i>-quinolizine-1-spiro-2'-(1',3'-dithiane)-9-carbonitrile
Acta Crystallographica Section C
52(5)
(1996)
1296-1298 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/48/2004838.cif $
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2,004,839 | 9.045 | 0.001 | 29.148 | 0.003 | 8.6766 | 0.0003 | 90 | null | 90 | null | 90 | null | 2,287.5 | 0.4 | 163 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C23 H34 N2 O5 - | - C23 H34 N2 O5 - | - C92 H136 N8 O20 - | 4 | 1 | BK1181 | Khalil, S.; Hossain, M. B.; van der Helm, D.; Alam, M.; Sanduja, R. | A Pyrazoline Derivative of Eunicin Acetate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1272 | 1274 | 10.1107/S0108270195016003 | 1.54184 | CuKα | null | 0.045 | null | null | 0.048 | null | null | null | null | 1.5 | 1.5 | null | null | null | has coordinates | Khalil, S.; Hossain, M. B.; van der Helm, D.; Alam, M.; Sanduja, R.
A Pyrazoline Derivative of Eunicin Acetate
Acta Crystallographica Section C
52(5)
(1996)
1272-1274 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,004,840 | 11.276 | 0.002 | 16.599 | 0.003 | 7.516 | 0.002 | 99.29 | 0.02 | 101.75 | 0.02 | 98.76 | 0.01 | 1,334 | 0.5 | 296 | null | 296 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | Pamoic acid . 2pyridine | - C33 H26 N2 O6 - | - C33 H26 N2 O6 - | - C66 H52 N4 O12 - | 2 | 1 | BK1191 | Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E. | Bis(pyridinium) Pamoate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1269 | 1272 | 10.1107/S0108270195015691 | 0.71073 | MoKα | null | 0.045 | null | null | 0.053 | null | null | null | null | 1.8 | 1.8 | null | null | null | has coordinates | Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.
Bis(pyridinium) Pamoate
Acta Crystallographica Section C
52(5)
(1996)
1269-1272 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/48/2004840.cif $
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4,322,236 | 6.8225 | 0.0004 | 16.7914 | 0.001 | 15.6088 | 0.0009 | 90 | null | 92.893 | 0.001 | 90 | null | 1,785.85 | 0.18 | 203 | null | 203 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H24 Cl2 O5 U - | - C12 H24 Cl2 O5 U - | - C48 H96 Cl8 O20 U4 - | 4 | 1 | Marianne P. Wilkerson; Carol J. Burns; Robert T. Paine; Brian L. Scott | Synthesis and Crystal Structure of UO2Cl2(THF)3: A Simple Preparation of an Anhydrous Uranyl Reagent | Inorganic Chemistry | 1,999 | 38 | 4156 | 4158 | 10.1021/ic990159g | 0.71073 | MoKα | 0.0592 | 0.0395 | null | 0.1199 | 0.107 | null | null | null | 0.799 | 0.81 | 0.81 | null | null | null | has coordinates | Marianne P. Wilkerson; Carol J. Burns; Robert T. Paine; Brian L. Scott
Synthesis and Crystal Structure of UO2Cl2(THF)3: A Simple Preparation of an Anhydrous Uranyl Reagent
Inorganic Chemistry
38
(1999)
4156-4158 | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:23:19 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179325 $
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2,004,841 | 7.428 | 0.002 | 17.376 | 0.002 | 7.632 | 0.002 | 90 | null | 116.67 | 0.01 | 90 | null | 880.3 | 0.4 | 296.2 | null | 296 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | copper(II) 4-aminobenzenesulfonate tetrahydrate | - C12 H20 Cu N2 O10 S2 - | - C12 H20 Cu N2 O10 S2 - | - C24 H40 Cu2 N4 O20 S4 - | 2 | 0.5 | BK1192 | Gunderman, B. J.; Squattrito, P. J.; Dubey, S. N. | Copper and Manganese Sulfanilate Hydrates | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1131 | 1134 | 10.1107/S0108270195015150 | 0.7107 | MoKα | 0.0348 | 0.025 | null | 0.0288 | 0.028 | null | null | null | null | 2.46 | 2.46 | null | null | null | has coordinates | Gunderman, B. J.; Squattrito, P. J.; Dubey, S. N.
Copper and Manganese Sulfanilate Hydrates
Acta Crystallographica Section C
52(5)
(1996)
1131-1134 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/48/2004841.cif $
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2,004,842 | 5.91 | 0.003 | 7.103 | 0.003 | 18.79 | 0.002 | 90 | null | 94.77 | 0.02 | 90 | null | 786 | 0.5 | 296.2 | null | 296 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | manganese(II) 4-aminobenzenesulfonate dihydrate | - C12 H16 Mn N2 O8 S2 - | - C12 H16 Mn N2 O8 S2 - | - C24 H32 Mn2 N4 O16 S4 - | 2 | 0.5 | BK1192 | Gunderman, B. J.; Squattrito, P. J.; Dubey, S. N. | Copper and Manganese Sulfanilate Hydrates | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1131 | 1134 | 10.1107/S0108270195015150 | 0.7107 | MoKα | 0.052 | 0.028 | null | 0.0384 | 0.027 | null | null | null | null | 1.69 | 1.69 | null | null | null | has coordinates | Gunderman, B. J.; Squattrito, P. J.; Dubey, S. N.
Copper and Manganese Sulfanilate Hydrates
Acta Crystallographica Section C
52(5)
(1996)
1131-1134 | 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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2,004,843 | 8.5033 | 0.0008 | 8.8856 | 0.0006 | 10.773 | 0.001 | 101.29 | 0.01 | 97.7 | 0.01 | 118.42 | 0.01 | 677.24 | 0.14 | 299 | null | null | null | null | null | null | null | 3 | P 1 | P 1 | 1 | azuleno[4,5-b]furan-2(3H)-one, 3a,4,5,7,8,9,9a,9b-octahydro-9-hydroxy- 3,6,9-trimethyl-[3S-(3α,3aα,9α,9aα,9bβ)] | - C15 H22 O3 - | - C15 H22 O3 - | - C30 H44 O6 - | 2 | 2 | BK1193 | Castañeda-Acosta, J.; Fischer, N. H.; Fronczek, F. R. | The Guaianolide 11β<i>H</i>,13-Dihydromicheliolide | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1263 | 1266 | 10.1107/S0108270195015435 | 0.71073 | Mo-Kα | null | 0.04 | null | null | 0.048 | null | null | null | null | 2.72 | 2.72 | null | null | null | has coordinates | Castañeda-Acosta, J.; Fischer, N. H.; Fronczek, F. R.
The Guaianolide 11β<i>H</i>,13-Dihydromicheliolide
Acta Crystallographica Section C
52(5)
(1996)
1263-1266 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,844 | 8.366 | 0.002 | 9.43 | 0.002 | 9.642 | 0.002 | 93.62 | 0.03 | 103.22 | 0.03 | 91.24 | 0.03 | 738.5 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | tetrahydrogen 1,2-bis(1,4,7-triaza-1-cyclononyl)ethane tetrachlorocad mate' | - C14 H36 Cd2 Cl8 N6 - | - C14 H36 Cd2 Cl8 N6 - | - C14 H36 Cd2 Cl8 N6 - | 1 | 0.5 | BK1194 | Zompa, L. J.; Haidar, R. | Tetrahydrogen 1,2-Bis(1,4,7-triaza-1-cyclononyl)ethane Tetrachlorocadmate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1188 | 1190 | 10.1107/S0108270195015423 | 0.71073 | MoKα | 0.0676 | 0.0487 | null | 0.1425 | 0.1291 | null | null | null | 1.084 | 1.133 | 1.133 | null | null | null | has coordinates | Zompa, L. J.; Haidar, R.
Tetrahydrogen 1,2-Bis(1,4,7-triaza-1-cyclononyl)ethane Tetrachlorocadmate
Acta Crystallographica Section C
52(5)
(1996)
1188-1190 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,845 | 10.055 | 0.002 | 14.974 | 0.004 | 17.825 | 0.005 | 90 | null | 90 | null | 90 | null | 2,683.8 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Hippuryl-L-Histidyl-L-Leucine | - C21 H37 N5 O10 - | - C21 H37 N5 O10 - | - C84 H148 N20 O40 - | 4 | 1 | BK1197 | Vrielink, A.; Obel-Jorgensen, A.; Codding, P. W. | Hippuryl-<small>L</small>-histidyl-<small>L</small>-leucine, a Substrate for Angiotensin Converting Enzyme | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1300 | 1302 | 10.1107/S0108270195016180 | 0.71069 | MoKα | 0.1192 | 0.0671 | null | 0.1885 | 0.1521 | null | null | null | 0.986 | 0.986 | 0.986 | null | null | null | has coordinates | Vrielink, A.; Obel-Jorgensen, A.; Codding, P. W.
Hippuryl-<small>L</small>-histidyl-<small>L</small>-leucine, a Substrate for Angiotensin Converting Enzyme
Acta Crystallographica Section C
52(5)
(1996)
1300-1302 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
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2,004,846 | 12.0939 | 0.0007 | 15.464 | 0.004 | 16.854 | 0.002 | 90 | null | 105.295 | 0.006 | 90 | null | 3,040.4 | 0.9 | 20 | null | 20 | null | null | null | null | null | 6 | P 1 21/m 1 | -P 2yb | 11 | bis(pentamethylcyclopentadienyl)tetra(μ-iodo)dimolybdenum(III,IV) tetraiodoferrate(III), inclusion complex with bis(pentamethylcyclopentadienyl)di(μ-iodo)(μ-oxo)diiododimolybdenum(IV) | - C40 H60 Fe I12 Mo4 O - | - C40 H60 Fe I12 Mo4 O - | - C80 H120 Fe2 I24 Mo8 O2 - | 2 | 0.5 | BK1202 | Gordon, J. C.; Fanwick, P. E.; Poli, R. | [(η^5^-C~5~Me~5~)~2~Mo~2~(μ-I)~4~]^+^[FeI~4~]^{-^}.[(η^5^-C~5~Me~5~)~2~Mo~2~I~2~(μ-I)~2~(μ-O)] | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1098 | 1101 | 10.1107/S0108270195016283 | 0.71073 | MoKα | 0.048 | 0.048 | null | null | 0.063 | null | null | null | null | 1.619 | 1.619 | null | null | null | has coordinates | Gordon, J. C.; Fanwick, P. E.; Poli, R.
[(η^5^-C~5~Me~5~)~2~Mo~2~(μ-I)~4~]^+^[FeI~4~]^{-^}.[(η^5^-C~5~Me~5~)~2~Mo~2~I~2~(μ-I)~2~(μ-O)]
Acta Crystallographica Section C
52(5)
(1996)
1098-1101 | 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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2,004,847 | 7.909 | 0.003 | 12.608 | 0.009 | 15.303 | 0.011 | 112.13 | 0.04 | 104.58 | 0.05 | 91.52 | 0.04 | 1,355.4 | 1.6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | (1RS,2SR,6SR,7SR,8SR)1-acetoxy-3-oxatricyclo[6.5.0.0^2,7^]tridecan-6,7-diol | - C14 H22 O5 - | - C14 H22 O5 - | - C56 H88 O20 - | 4 | 2 | BM1024 | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P. | Structural Aspects of the Transposition Reaction of Oxatricyclo[6.5.0.0^2,7^]tridecane-6,7-diol Monomesylate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1243 | 1248 | 10.1107/S0108270195014417 | 1.54178 | CuKα | 0.0714 | 0.0343 | null | 0.098 | 0.0845 | null | null | null | 0.932 | 1.05 | 1.05 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.
Structural Aspects of the Transposition Reaction of Oxatricyclo[6.5.0.0^2,7^]tridecane-6,7-diol Monomesylate
Acta Crystallographica Section C
52(5)
(1996)
1243-1248 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,848 | 14.815 | 0.002 | 14.264 | 0.002 | 10.55 | 0.002 | 90 | null | 90 | null | 90 | null | 2,229.4 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | (1SR,2SR,6RS,7RS) 2-acetoxy-10-oxatricyclo[5.3.1.0^2,6^]undecan-11-one | - C12 H16 O4 - | - C12 H16 O4 - | - C96 H128 O32 - | 8 | 1 | BM1024 | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P. | Structural Aspects of the Transposition Reaction of Oxatricyclo[6.5.0.0^2,7^]tridecane-6,7-diol Monomesylate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1243 | 1248 | 10.1107/S0108270195014417 | 1.54178 | CuKα | 0.059 | 0.0493 | null | 0.1309 | 0.1076 | null | null | null | 1.123 | 1.119 | 1.119 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.
Structural Aspects of the Transposition Reaction of Oxatricyclo[6.5.0.0^2,7^]tridecane-6,7-diol Monomesylate
Acta Crystallographica Section C
52(5)
(1996)
1243-1248 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,849 | 5.177 | 0.002 | 6.41 | 0.001 | 11.862 | 0.002 | 82.05 | 0.02 | 79.38 | 0.02 | 76.88 | 0.02 | 374.88 | 0.17 | 296 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C8 H12 Cu N6 O12 - | - C8 H12 Cu N6 O12 - | - C8 H12 Cu N6 O12 - | 1 | 0.5 | BM1036 | Tamaki, K.; Okabe, N. | Redetermination of a Copper(II) Complex of Violuric Acid | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1125 | 1127 | 10.1107/S0108270195015496 | 0.7107 | MoKα | null | 0.051 | null | null | 0.052 | null | null | null | null | 1.53 | 1.53 | null | null | null | has coordinates | Tamaki, K.; Okabe, N.
Redetermination of a Copper(II) Complex of Violuric Acid
Acta Crystallographica Section C
52(5)
(1996)
1125-1127 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,004,850 | 9.33 | 0.001 | 9.339 | 0.001 | 12.805 | 0.001 | 82.51 | 0.01 | 77.38 | 0.01 | 84.75 | 0.01 | 1,077.2 | 0.19 | 293 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C18 H18 Cr N3 O4 S3 - | - C18 H18 Cr N3 O4 S3 - | - C36 H36 Cr2 N6 O8 S6 - | 2 | 1 | BM1038 | Wen, T.-B.; Shi, J.-C.; Liu, Q.-T.; Kang, B.-S.; Wu, B.-M.; Mak, T. C. W. | Tris(2-sulfidopyridine <i>N</i>-oxide-<i>O</i>,<i>S</i>)chromium(III) Acetone Solvate (1/1) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1204 | 1206 | 10.1107/S0108270195014958 | 0.71073 | MoKα | null | 0.044 | null | null | 0.058 | null | null | null | null | 1.11 | 1.11 | null | null | null | has coordinates | Wen, T.-B.; Shi, J.-C.; Liu, Q.-T.; Kang, B.-S.; Wu, B.-M.; Mak, T. C. W.
Tris(2-sulfidopyridine <i>N</i>-oxide-<i>O</i>,<i>S</i>)chromium(III) Acetone Solvate (1/1)
Acta Crystallographica Section C
52(5)
(1996)
1204-1206 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,851 | 8.925 | 0.005 | 10.301 | 0.003 | 8.179 | 0.004 | 94.06 | 0.03 | 115.89 | 0.04 | 98.45 | 0.03 | 661.4 | 0.6 | 153 | null | 153 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C14 H11 N O4 S - | - C14 H11 N O4 S - | - C28 H22 N2 O8 S2 - | 2 | 1 | BM1042 | Brigas, A. F.; Johnstone, R. A. W. | 3-(4-Methoxyphenoxy)-1,2-benzisothiazole 1,1-Dioxide: its Relation to Mechanistic Behaviour in Catalytic Transfer Hydrogenolysis | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1293 | 1296 | 10.1107/S0108270195016507 | 0.7107 | MoKα | null | 0.0358 | null | null | 0.0423 | null | null | null | null | 1.609 | 1.609 | null | null | null | has coordinates | Brigas, A. F.; Johnstone, R. A. W.
3-(4-Methoxyphenoxy)-1,2-benzisothiazole 1,1-Dioxide: its Relation to Mechanistic Behaviour in Catalytic Transfer Hydrogenolysis
Acta Crystallographica Section C
52(5)
(1996)
1293-1296 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,235 | 17.9977 | 0.0015 | 15.7445 | 0.0009 | 14.4986 | 0.0006 | 90 | null | 113.206 | 0.005 | 90 | null | 3,776 | 0.4 | 225 | null | 225 | null | null | null | null | null | see text | 6 | C 1 2/c 1 | -C 2yc | 15 | - C13.5 H23 Cl3 N2 O2 V - | - C13.5 H23 Cl3 N2 O2 V - | - C108 H184 Cl24 N16 O16 V8 - | 8 | 1 | Henk Hagen; Antonio Barbon; Ernst E. van Faassen; Bert T. G. Lutz; Jaap Boersma; Anthony L. Spek; Gerard van Koten | Synthesis and Characterization of O,N-Chelated Vanadium(IV) Oxo Phenolate Complexes: Electronic Effect of Meta and Para Substituents on the Vanadium Center | Inorganic Chemistry | 1,999 | 38 | 4079 | 4086 | 10.1021/ic9901564 | 0.71073 | MoKα | 0.0588 | 0.0416 | null | null | 0.101 | 0.1104 | null | null | null | null | null | 1.028 | null | null | has coordinates | Henk Hagen; Antonio Barbon; Ernst E. van Faassen; Bert T. G. Lutz; Jaap Boersma; Anthony L. Spek; Gerard van Koten
Synthesis and Characterization of O,N-Chelated Vanadium(IV) Oxo Phenolate Complexes: Electronic Effect of Meta and Para Substituents on the Vanadium Center
Inorganic Chemistry
38
(1999)
4079-4086 | 258,736 | 2020-11-05 | 8:57:04 | #------------------------------------------------------------------------------
#$Date: 2020-11-05 10:56:28 +0200 (Thu, 05 Nov 2020) $
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2,004,852 | 12.709 | 0.002 | 12.709 | 0.002 | 28.667 | 0.006 | 90 | null | 90 | null | 120 | null | 4,009.9 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | R 3 c :H | R 3 -2"c | 161 | Tetramethylammonium trithiobenzoatotin(II) | - C25 H27 N O3 S3 Sn - | - C25 H26.97 N O3 S3 Sn - | - C150 H161.82 N6 O18 S18 Sn6 - | 6 | 0.333333 | BM1045 | Vittal, J. J.; Dean, P. A. W. | Tetramethylammonium Tris(thiobenzoato-<i>O</i>,<i>S</i>)tin(II) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1180 | 1182 | 10.1107/S0108270196000583 | 0.71073 | MoKα | 0.0266 | 0.0251 | null | 0.0635 | 0.0626 | null | null | null | 1.056 | 1.07 | 1.07 | null | null | null | has coordinates,has disorder | Vittal, J. J.; Dean, P. A. W.
Tetramethylammonium Tris(thiobenzoato-<i>O</i>,<i>S</i>)tin(II)
Acta Crystallographica Section C
52(5)
(1996)
1180-1182 | 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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2,004,853 | 7.512 | 0.002 | 11.599 | 0.002 | 12.928 | 0.003 | 90 | null | 102.14 | 0.03 | 90 | null | 1,101.2 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | none | Catena-[Triamminezinc(II)-tri-μ-cyano-cyano-dicuprate(I)] | - C4 H9 Cu2 N7 Zn - | - C4 H9 Cu2 N7 Zn - | - C16 H36 Cu8 N28 Zn4 - | 4 | 1 | BR1113 | Černák, J.; Kappenstein, C.; Zák, Z.; Chomič, J. | Copper‒Zinc Oxide Catalysts. III. Structure of [Zn(NH~3~)~3~][Cu(CN)~2~]~2~ | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1067 | 1070 | 10.1107/S0108270195015654 | 0.71073 | MoKα | 0.0901 | 0.0297 | null | 0.0944 | 0.0785 | null | null | null | 0.945 | 1.081 | 1.081 | null | null | null | has coordinates | Černák, J.; Kappenstein, C.; Zák, Z.; Chomič, J.
Copper‒Zinc Oxide Catalysts. III. Structure of [Zn(NH~3~)~3~][Cu(CN)~2~]~2~
Acta Crystallographica Section C
52(5)
(1996)
1067-1070 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/48/2004853.cif $
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2,004,854 | 5.034 | 0.002 | 13.281 | 0.002 | 11.507 | 0.003 | 90 | null | 92.04 | 0.03 | 90 | null | 768.8 | 0.4 | 294 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Mercury(II) Selenite Hemihydrate | Mercury(II) Selenite - Water (2/1) | - H2 Hg2 O7 Se2 - | - Hg2 O7 Se2 - | - Hg8 O28 Se8 - | 4 | 1 | BR1119 | Koskenlinna, M.; Valkonen, J. | Mercury(II) Selenite Hemihydrate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1070 | 1072 | 10.1107/S0108270195016428 | 0.71073 | Mo_Kα | null | 0.036 | null | null | 0.04 | null | null | null | null | 0.855 | 0.855 | null | null | null | has coordinates | Koskenlinna, M.; Valkonen, J.
Mercury(II) Selenite Hemihydrate
Acta Crystallographica Section C
52(5)
(1996)
1070-1072 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,004,855 | 6.456 | 0.001 | 4.969 | 0.001 | 14.658 | 0.002 | 90 | null | 101.82 | 0.01 | 90 | null | 460.26 | 0.13 | 294 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | amminemercury(II) selenite | monoamminemercury(II) selenate(IV) | - H3 Hg N O3 Se - | - Hg N O3 Se - | - Hg4 N4 O12 Se4 - | 4 | 1 | BR1136 | Koskenlinna, M.; Valkonen, J.; Fröhlich, R. | Amminemercury(II) Selenite | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1072 | 1074 | 10.1107/S0108270195016568 | 0.71073 | Mo_Kα | null | 0.029 | null | null | 0.036 | null | null | null | null | 1.192 | 1.192 | null | null | null | has coordinates | Koskenlinna, M.; Valkonen, J.; Fröhlich, R.
Amminemercury(II) Selenite
Acta Crystallographica Section C
52(5)
(1996)
1072-1074 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,004,856 | 24.282 | 0.005 | 9.544 | 0.002 | 7.412 | 0.0015 | 90 | null | 106.6 | 0.03 | 90 | null | 1,646.1 | 0.6 | 128 | 2 | 293 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | - C7 H15 O3.5 - | - C7 H15 O3.5 - | - C56 H120 O28 - | 8 | 1 | CF1021 | Murray, R. W.; Singh, M.; Rath, N. P. | Chiral α-Hydroxy Acids: Racemic 2-Hydroxy-2,3,3-trimethylbutanoic Acid and 2-Hydroxy-2-trimethylsilylpropanoic Acid | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1282 | 1285 | 10.1107/S0108270195015769 | 0.71073 | MoKα | 0.1571 | 0.0726 | null | 0.1879 | 0.1573 | null | null | null | 0.846 | 1.086 | 1.086 | null | null | null | has coordinates | Murray, R. W.; Singh, M.; Rath, N. P.
Chiral α-Hydroxy Acids: Racemic 2-Hydroxy-2,3,3-trimethylbutanoic Acid and 2-Hydroxy-2-trimethylsilylpropanoic Acid
Acta Crystallographica Section C
52(5)
(1996)
1282-1285 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,857 | 13.141 | 0.003 | 13.741 | 0.003 | 11.551 | 0.002 | 90 | null | 112.36 | 0.03 | 90 | null | 1,928.9 | 0.8 | 298 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C6 H14 O3 Si - | - C6 H14 O3 Si - | - C48 H112 O24 Si8 - | 8 | 2 | CF1021 | Murray, R. W.; Singh, M.; Rath, N. P. | Chiral α-Hydroxy Acids: Racemic 2-Hydroxy-2,3,3-trimethylbutanoic Acid and 2-Hydroxy-2-trimethylsilylpropanoic Acid | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1282 | 1285 | 10.1107/S0108270195015769 | 0.71073 | MoKα | 0.1327 | 0.0799 | null | 0.3425 | 0.2416 | null | null | null | 1.018 | 1.239 | 1.239 | null | null | null | has coordinates | Murray, R. W.; Singh, M.; Rath, N. P.
Chiral α-Hydroxy Acids: Racemic 2-Hydroxy-2,3,3-trimethylbutanoic Acid and 2-Hydroxy-2-trimethylsilylpropanoic Acid
Acta Crystallographica Section C
52(5)
(1996)
1282-1285 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,004,858 | 13.314 | 0.005 | 10.077 | 0.005 | 36.51 | 0.01 | 90 | null | 94.85 | 0.03 | 90 | null | 4,881 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Tris(triphenylphosphine)copper(I) chloride, tetrahydrofuran solvate | Chlorotris(triphenylphosphine)copper(I)-Tetrahydrofuran (1/1) | - C58 H53 Cl Cu O P3 - | - C58 H53 Cl Cu O P3 - | - C232 H212 Cl4 Cu4 O4 P12 - | 4 | 1 | CF1023 | Carlson, T. F.; Fackler, Jnr, J. P.; Kresinski, R. A. | Chlorotris(triphenylphosphine)copper(I) Tetrahydrofuran Solvate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1117 | 1119 | 10.1107/S0108270195012819 | 0.71073 | MoKα | 0.1214 | 0.0609 | null | 0.1372 | 0.1 | null | null | null | 0.945 | 1.14 | 1.14 | null | null | null | has coordinates,has disorder | Carlson, T. F.; Fackler, Jnr, J. P.; Kresinski, R. A.
Chlorotris(triphenylphosphine)copper(I) Tetrahydrofuran Solvate
Acta Crystallographica Section C
52(5)
(1996)
1117-1119 | 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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2,004,859 | 7.402 | 0.005 | 13.172 | 0.006 | 13.686 | 0.006 | 82.9 | 0.04 | 77.85 | 0.04 | 86.53 | 0.04 | 1,293.7 | 1.2 | 287 | 2 | 287 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | calcium bis(9,10-dihydro-9-oxo-10-acridineacetate) dihydrate | - C30 H24 Ca N2 O8 - | - C30 H24 Ca N2 O8 - | - C60 H48 Ca2 N4 O16 - | 2 | 1 | CF1027 | Miernik, D.; Lis, T. | Isomorphous Polymeric Complexes of Ca^2+^ and Pb^2+^ with 9,10-Dihydro-9-oxo-10-acridineacetate (CMA^{-^}) Ligands: [<i>M</i>(CMA)~2~(H~2~O)~2~] | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1171 | 1174 | 10.1107/S0108270195015757 | 1.5418 | CuKα | null | 0.0307 | null | null | 0.0847 | null | null | null | null | 1.066 | 1.066 | null | null | null | has coordinates | Miernik, D.; Lis, T.
Isomorphous Polymeric Complexes of Ca^2+^ and Pb^2+^ with 9,10-Dihydro-9-oxo-10-acridineacetate (CMA^{-^}) Ligands: [<i>M</i>(CMA)~2~(H~2~O)~2~]
Acta Crystallographica Section C
52(5)
(1996)
1171-1174 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,004,860 | 7.637 | 0.005 | 13.174 | 0.007 | 13.749 | 0.005 | 82.35 | 0.04 | 78 | 0.04 | 85.04 | 0.05 | 1,338.5 | 1.3 | 300 | 2 | 300 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | lead(II) bis(9,10-dihydro-9-oxo-10-acridineacetate) dihydrate | - C30 H24 N2 O8 Pb - | - C30 H20 N2 O8 Pb - | - C60 H40 N4 O16 Pb2 - | 2 | 1 | CF1027 | Miernik, D.; Lis, T. | Isomorphous Polymeric Complexes of Ca^2+^ and Pb^2+^ with 9,10-Dihydro-9-oxo-10-acridineacetate (CMA^{-^}) Ligands: [<i>M</i>(CMA)~2~(H~2~O)~2~] | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1171 | 1174 | 10.1107/S0108270195015757 | 0.71069 | MoKα | null | 0.0284 | null | null | 0.0724 | null | null | null | null | 1.063 | 1.063 | null | null | null | has coordinates | Miernik, D.; Lis, T.
Isomorphous Polymeric Complexes of Ca^2+^ and Pb^2+^ with 9,10-Dihydro-9-oxo-10-acridineacetate (CMA^{-^}) Ligands: [<i>M</i>(CMA)~2~(H~2~O)~2~]
Acta Crystallographica Section C
52(5)
(1996)
1171-1174 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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4,322,234 | 9.4321 | 0.0007 | 14.1919 | 0.0014 | 26.5484 | 0.0014 | 90 | null | 90 | null | 90 | null | 3,553.8 | 0.5 | 293 | 2 | 150 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C18 H24 N2 O3 V - | - C18 H24 N2 O3 V - | - C144 H192 N16 O24 V8 - | 8 | 1 | Henk Hagen; Antonio Barbon; Ernst E. van Faassen; Bert T. G. Lutz; Jaap Boersma; Anthony L. Spek; Gerard van Koten | Synthesis and Characterization of O,N-Chelated Vanadium(IV) Oxo Phenolate Complexes: Electronic Effect of Meta and Para Substituents on the Vanadium Center | Inorganic Chemistry | 1,999 | 38 | 4079 | 4086 | 10.1021/ic9901564 | 0.71073 | MoKα | 0.1466 | 0.0565 | null | 0.1049 | 0.0829 | null | null | null | 0.973 | 1.115 | 1.115 | null | null | null | has coordinates | Henk Hagen; Antonio Barbon; Ernst E. van Faassen; Bert T. G. Lutz; Jaap Boersma; Anthony L. Spek; Gerard van Koten
Synthesis and Characterization of O,N-Chelated Vanadium(IV) Oxo Phenolate Complexes: Electronic Effect of Meta and Para Substituents on the Vanadium Center
Inorganic Chemistry
38
(1999)
4079-4086 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
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2,004,861 | 5.466 | 0.001 | 6.128 | 0.001 | 39.841 | 0.009 | 90 | null | 90 | null | 90 | null | 1,334.5 | 0.4 | 292 | 2 | 292 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | Dinaphtho[2,1-b.2',3'-d]furan-8-13-dione | - C20 H10 O3 - | - C20 H10 O3 - | - C80 H40 O12 - | 4 | 1 | CF1045 | Farrugia, L. J.; Scott, C. F.; Peacock, R. D. | A Naphthofuranoquinone | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1310 | 1311 | 10.1107/S010827019501660X | 0.71073 | MoKα | 0.076 | 0.0428 | null | 0.14 | 0.1016 | null | null | null | 1.088 | 1.051 | 1.051 | null | null | null | has coordinates | Farrugia, L. J.; Scott, C. F.; Peacock, R. D.
A Naphthofuranoquinone
Acta Crystallographica Section C
52(5)
(1996)
1310-1311 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,862 | 4.922 | 0.0005 | 7.7525 | 0.0006 | 16.3663 | 0.0011 | 90 | null | 90 | null | 90 | null | 624.5 | 0.09 | 294 | 1 | 294 | 1 | null | null | null | null | 3 | P 21 c n | P -2n 2a | 33 | Furan-2,5-dimethanol | Furan-2,5-dimethanol | - C6 H8 O3 - | - C6 H8 O3 - | - C24 H32 O12 - | 4 | 1 | CF1049 | Glidewell, C.; Zakaria, C. M.; Ferguson, G. | Multiple Hydrogen-Bonding Modes in Furan-2,5-dimethanol and Furan-2,5-diylbis(diphenylmethanol) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1305 | 1309 | 10.1107/S0108270195014521 | 0.7107 | MoKα | 0.0445 | 0.0301 | null | 0.0834 | 0.0783 | null | null | null | 1.045 | 1.113 | 1.113 | null | null | null | has coordinates | Glidewell, C.; Zakaria, C. M.; Ferguson, G.
Multiple Hydrogen-Bonding Modes in Furan-2,5-dimethanol and Furan-2,5-diylbis(diphenylmethanol)
Acta Crystallographica Section C
52(5)
(1996)
1305-1309 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,004,863 | 9.1669 | 0.0012 | 24.06 | 0.003 | 41.768 | 0.004 | 90 | null | 90 | null | 90 | null | 9,212.2 | 1.9 | 294 | 1 | 294 | 1 | null | null | null | null | 3 | F 2 d d | F -2d 2 | 43 | furan-2,5-diylbis(diphenylmethanol) | furan-2,5-diylbis(diphenylmethanol) | - C30 H24 O3 - | - C30 H24 O3 - | - C480 H384 O48 - | 16 | 1 | CF1049 | Glidewell, C.; Zakaria, C. M.; Ferguson, G. | Multiple Hydrogen-Bonding Modes in Furan-2,5-dimethanol and Furan-2,5-diylbis(diphenylmethanol) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1305 | 1309 | 10.1107/S0108270195014521 | 0.7107 | MoKα | 0.0982 | 0.0394 | null | 0.0989 | 0.0874 | null | null | null | 0.93 | 1.231 | 1.231 | null | null | null | has coordinates | Glidewell, C.; Zakaria, C. M.; Ferguson, G.
Multiple Hydrogen-Bonding Modes in Furan-2,5-dimethanol and Furan-2,5-diylbis(diphenylmethanol)
Acta Crystallographica Section C
52(5)
(1996)
1305-1309 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,004,864 | 9.84 | 0.007 | 16.198 | 0.012 | 5.69 | 0.004 | 90 | null | 90 | null | 90 | null | 906.9 | 1.1 | 210 | 2 | 210 | 2 | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | 2,6-dichloro-3,5-dimethoxy-2,5-cyclohexadiene-1,4-dione | - C8 H6 Cl2 O4 - | - C8 H6 Cl2 O4 - | - C32 H24 Cl8 O16 - | 4 | 0.5 | CF1054 | Mukherjee, S.; Bisht, K. S.; Parmar, V. S.; Errington, W. | 3,5-Dichloro-2,6-dimethoxycyclohexa-2,5-diene-1,4-dione | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1211 | 1213 | 10.1107/S0108270195015745 | 0.71073 | MoKα | 0.0361 | 0.0342 | null | 0.0895 | 0.0875 | null | null | null | 1.07 | 1.086 | 1.086 | null | null | null | has coordinates | Mukherjee, S.; Bisht, K. S.; Parmar, V. S.; Errington, W.
3,5-Dichloro-2,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Acta Crystallographica Section C
52(5)
(1996)
1211-1213 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,004,865 | 14.157 | 0.009 | 9.891 | 0.006 | 9.312 | 0.006 | 90 | null | 106.85 | 0.05 | 90 | null | 1,247.9 | 1.4 | 210 | 2 | 210 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | [3-(4-chlorophenyl)-5-thiomethyl-4,5-dihydroisoxazol-5-yl]acetonitrile | - C12 H11 Cl N2 O S - | - C12 H11 Cl N2 O S - | - C48 H44 Cl4 N8 O4 S4 - | 4 | 1 | CF1060 | Kumar, N.; Vats, A.; Parmar, V. S.; Errington, W. | [3-(4-Chlorophenyl)-5-methylthio-4,5-dihydro-5-isoxazolyl]acetonitrile | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1239 | 1241 | 10.1107/S0108270195016076 | 0.71073 | MoKα | 0.0402 | 0.0304 | null | 0.0897 | 0.0746 | null | null | null | 1.041 | 1.054 | 1.054 | null | null | null | has coordinates,has Fobs | Kumar, N.; Vats, A.; Parmar, V. S.; Errington, W.
[3-(4-Chlorophenyl)-5-methylthio-4,5-dihydro-5-isoxazolyl]acetonitrile
Acta Crystallographica Section C
52(5)
(1996)
1239-1241 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,866 | 11.952 | 0.002 | 6.255 | 0.001 | 11.708 | 0.002 | 90 | null | 90 | null | 90 | null | 875.3 | 0.3 | 292 | null | null | null | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | - C7 H5 N5 O3 - | - C7 H5 N5 O3 - | - C28 H20 N20 O12 - | 4 | 0.5 | CR1142 | Caracelli, I.; Stamato, F. M. L. G.; Mester, B.; Paulino, M.; Cerecetto, H. | A New Analogue of Nifurtimox | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1281 | 1282 | 10.1107/S0108270195015824 | 0.71073 | MoKα | null | 0.0417 | null | null | 0.0449 | null | null | null | null | 1.68 | 1.68 | null | null | null | has coordinates | Caracelli, I.; Stamato, F. M. L. G.; Mester, B.; Paulino, M.; Cerecetto, H.
A New Analogue of Nifurtimox
Acta Crystallographica Section C
52(5)
(1996)
1281-1282 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,867 | 10.234 | 0.004 | 6.023 | 0.002 | 18.478 | 0.007 | 90 | null | 94.55 | 0.02 | 90 | null | 1,135.4 | 0.7 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C6 H16 Cl10 Cu5 O2 - | - C6 H18 Cl10 Cu5 O2 - | - C12 H36 Cl20 Cu10 O4 - | 2 | 0.5 | CR1198 | Pon, G.; Willett, R. D. | Redetermination of [Cu~5~Cl~10~(<i>n</i>-C~3~H~7~OH)~2~] | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1122 | 1123 | 10.1107/S0108270195012418 | 1.54178 | CuKα | null | 0.0682 | null | null | 0.0874 | null | null | null | null | 1.43 | 1.43 | null | null | null | has coordinates | Pon, G.; Willett, R. D.
Redetermination of [Cu~5~Cl~10~(<i>n</i>-C~3~H~7~OH)~2~]
Acta Crystallographica Section C
52(5)
(1996)
1122-1123 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,004,868 | 5.76 | 0.001 | 11.043 | 0.002 | 18.974 | 0.001 | 90 | null | 90 | null | 90 | null | 1,206.9 | 0.3 | 289 | 2 | 289 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 1,5-anhydro-2,3-dideoxy-2-(guanin-9-yl)-D-arabino-hexitol | - C11 H15 N5 O4 - | - C11 H15 N5 O4 - | - C44 H60 N20 O16 - | 4 | 1 | DE1015 | Declercq, R.; Herdewijn, P.; Van Meervelt, L. | 1,5-Anhydro-2,3-dideoxy-2-(guanin-9-yl)-<small>D</small>-<i>arabino</i>-hexitol | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1213 | 1215 | 10.1107/S0108270195015101 | 1.54178 | CuKα | 0.0366 | 0.0359 | null | 0.0968 | 0.0961 | null | null | null | 1.086 | 1.096 | 1.096 | null | null | null | has coordinates | Declercq, R.; Herdewijn, P.; Van Meervelt, L.
1,5-Anhydro-2,3-dideoxy-2-(guanin-9-yl)-<small>D</small>-<i>arabino</i>-hexitol
Acta Crystallographica Section C
52(5)
(1996)
1213-1215 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,233 | 12.946 | 0.001 | 16.178 | 0.001 | 12.396 | 0.001 | 106.26 | 0.01 | 92.12 | 0.01 | 96.58 | 0.01 | 2,469.5 | 0.3 | null | null | null | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C37 H85 I3 Ir N O P2 - | - C37 H85 I3 Ir N O P2 - | - C74 H170 I6 Ir2 N2 O2 P4 - | 2 | 1 | Robert D. Simpson; William J. Marshall; Amy A. Farischon; D. Christopher Roe; Vladimir V. Grushin | Anionic Iridium Monohydrides | Inorganic Chemistry | 1,999 | 38 | 4171 | 4173 | 10.1021/ic990068j | x-ray | 0.71 | Mo | null | 3.49 | null | null | 3.9 | null | null | null | null | 2.05 | 2.05 | null | null | null | has coordinates | Robert D. Simpson; William J. Marshall; Amy A. Farischon; D. Christopher Roe; Vladimir V. Grushin
Anionic Iridium Monohydrides
Inorganic Chemistry
38
(1999)
4171-4173 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
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2,004,869 | 10.1856 | 0.0001 | 10.8535 | 0.0001 | 23.1658 | 0.0002 | 90 | null | 94.77 | 0.01 | 90 | null | 2,552.1 | 0.06 | 300 | 1 | 300 | 1 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | (Phenyl) (pyrrolidino) (dicyclohexylamino) phosphiniminocyclotrithiazene | - C22 H35 N6 P S3 - | - C22 H35 N6 P S3 - | - C88 H140 N24 P4 S12 - | 4 | 1 | DE1019 | Janaswamy, S.; Sreenivasa Murthy, G.; Mohan, T.; Sudheendra Rao, M. N. | <i>S</i>-[(Dicyclohexylamino)(phenyl)(1-pyrrolidinyl)phosphinimino]cyclotrithiazene | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1250 | 1252 | 10.1107/S0108270195015381 | 0.71069 | MoKα | 0.0551 | 0.0551 | null | 0.147 | 0.147 | null | null | null | 1.093 | 1.093 | 1.093 | null | null | null | has coordinates | Janaswamy, S.; Sreenivasa Murthy, G.; Mohan, T.; Sudheendra Rao, M. N.
<i>S</i>-[(Dicyclohexylamino)(phenyl)(1-pyrrolidinyl)phosphinimino]cyclotrithiazene
Acta Crystallographica Section C
52(5)
(1996)
1250-1252 | 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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2,004,870 | 25.234 | 0.003 | 5.017 | 0.004 | 12.588 | 0.005 | 90 | null | 108.83 | 0.02 | 90 | null | 1,508.3 | 1.4 | 296 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C4 H6 Co0.5 N3 O6 - | - C4 H6 Co0.5 N3 O6 - | - C32 H48 Co4 N24 O48 - | 8 | 1 | DE1024 | Tamaki, K.; Okabe, N. | Diaquabis(5-isonitrosobarbiturato)cobalt(II) Dihydrate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1124 | 1125 | 10.1107/S0108270195015903 | 0.71069 | MoKα | null | 0.046 | null | null | 0.05 | null | null | null | null | 1.5 | 1.5 | null | null | null | has coordinates | Tamaki, K.; Okabe, N.
Diaquabis(5-isonitrosobarbiturato)cobalt(II) Dihydrate
Acta Crystallographica Section C
52(5)
(1996)
1124-1125 | 198,476 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-05 14:53:58 +0300 (Wed, 05 Jul 2017) $
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2,004,871 | 10.197 | 0.002 | 9.086 | 0.002 | 17.807 | 0.005 | 90 | null | 90 | null | 90 | null | 1,649.8 | 0.7 | 291 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C17 H22 B N2 P - | - C17 H22 B N2 P - | - C68 H88 B4 N8 P4 - | 4 | 1 | DU1093 | Brunel, J. M.; Buono, G.; Baldy, A.; Feneau-Dupont, J.; Declercq, J.-P. | (2<i>R</i>,5<i>S</i>)-2,3-Diphenyl-1,3,2-diazaphosphabicyclo[3.3.0]octane–Borane | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1316 | 1317 | 10.1107/S0108270195013631 | 1.5418 | CuKα | null | 0.05 | null | null | 0.061 | null | null | null | null | 0.47 | 0.47 | null | null | null | has coordinates | Brunel, J. M.; Buono, G.; Baldy, A.; Feneau-Dupont, J.; Declercq, J.-P.
(2<i>R</i>,5<i>S</i>)-2,3-Diphenyl-1,3,2-diazaphosphabicyclo[3.3.0]octane–Borane
Acta Crystallographica Section C
52(5)
(1996)
1316-1317 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,872 | 15.32 | 0.003 | 7.915 | 0.001 | 8.763 | 0.001 | 90 | null | 90 | null | 93.5 | 0.1 | 1,060.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 1 21/b | -P 2bc | 14 | m-Anisidinium Dihydrogenmonoarsenate | - C7 H12 As N O5 - | - C7 H12 As N O5 - | - C28 H48 As4 N4 O20 - | 4 | 1 | DU1130 | Abdellahi, M. O.; Jouini, T. | <i>m</i>-Anisidinium Dihydrogenmonoarsenate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1198 | 1200 | 10.1107/S0108270195012947 | 0.712 | MoKα | 0.0707 | 0.0507 | null | 0.1525 | 0.1359 | null | null | null | 1.304 | 1.331 | 1.331 | null | null | null | has coordinates | Abdellahi, M. O.; Jouini, T.
<i>m</i>-Anisidinium Dihydrogenmonoarsenate
Acta Crystallographica Section C
52(5)
(1996)
1198-1200 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
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2,004,873 | 8.786 | 0.002 | 9.382 | 0.002 | 12.703 | 0.003 | 94.89 | 0.02 | 103.18 | 0.02 | 93.4 | 0.02 | 1,012.5 | 0.4 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C22 H22 N4 O S - | - C22 H22 N4 O S - | - C44 H44 N8 O2 S2 - | 2 | 1 | DU1140 | Toledano, P.; Ait Itto, M. Y.; Hasnaoui, A. | 3-Mésityl-6-méthyl-7-méthylthio-4-phényl-6<i>H</i>-isoxazolo[5,4-<i>e</i>][1,2,4]triazépine | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1230 | 1232 | 10.1107/S0108270195012741 | 0.71069 | MoKα | null | 0.0558 | null | null | 0.0568 | null | null | null | null | 4.47 | 4.47 | null | null | null | has coordinates | Toledano, P.; Ait Itto, M. Y.; Hasnaoui, A.
3-Mésityl-6-méthyl-7-méthylthio-4-phényl-6<i>H</i>-isoxazolo[5,4-<i>e</i>][1,2,4]triazépine
Acta Crystallographica Section C
52(5)
(1996)
1230-1232 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,874 | 11.095 | 0.003 | 10.098 | 0.003 | 11.607 | 0.004 | 90 | null | 91.34 | 0.03 | 90 | null | 1,300.1 | 0.7 | 295 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C10 H11 B F4 Fe O3 - | - C10 H11 B F4 Fe O3 - | - C40 H44 B4 F16 Fe4 O12 - | 4 | 1 | FG1014 | Rheingold, A. L.; Haggerty, B. S.; Ma, H.; Ernst, R. D. | Tricarbonyl(η^5^-2,4-dimethylpentadienyl)iron Tetrafluoroborate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1110 | 1112 | 10.1107/S010827019501465X | 0.71073 | MoKα | null | 0.0742 | null | null | 0.0773 | null | null | null | null | 1.6 | 1.6 | null | null | null | has coordinates | Rheingold, A. L.; Haggerty, B. S.; Ma, H.; Ernst, R. D.
Tricarbonyl(η^5^-2,4-dimethylpentadienyl)iron Tetrafluoroborate
Acta Crystallographica Section C
52(5)
(1996)
1110-1112 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,875 | 9.474 | 0.001 | 9.529 | 0.002 | 12.16 | 0.002 | 99.98 | 0.01 | 97.16 | 0.01 | 115.92 | 0.01 | 947.2 | 0.3 | 296 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C22.5 H22.5 Ga N1.5 - | - C22.5 H23 Ga N1.5 - | - C45 H46 Ga2 N3 - | 2 | 1 | FG1063 | Sun, H.-S.; Wang, X.-M.; Sun, X.-Z.; You, X.-Z.; Wang, J.-Z. | (Acridine)trimethylgallium‒Acridine (2/1) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1184 | 1186 | 10.1107/S0108270195014661 | 0.71073 | MoKα | null | 0.0385 | null | null | 0.0393 | null | null | null | null | 1.534 | 1.534 | null | null | null | has coordinates | Sun, H.-S.; Wang, X.-M.; Sun, X.-Z.; You, X.-Z.; Wang, J.-Z.
(Acridine)trimethylgallium‒Acridine (2/1)
Acta Crystallographica Section C
52(5)
(1996)
1184-1186 | 176,342 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,876 | 13.131 | 0.003 | 7.541 | 0.001 | 14.758 | 0.003 | 90 | null | 96.03 | 0.02 | 90 | null | 1,453.3 | 0.5 | 170 | null | 170 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C12 H14 S5 - | - C12 H14 S5 - | - C48 H56 S20 - | 4 | 1 | FG1108 | Parvez, M.; Mesher, S. T. E.; Clark, P. D. | 2,3,6,7-Tetrakis(methylthio)benzo[<i>b</i>]thiophene | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1248 | 1250 | 10.1107/S0108270195015630 | 0.71069 | MoKα | null | 0.0638 | null | null | 0.0641 | null | null | null | null | 2.838 | 2.838 | null | null | null | has coordinates | Parvez, M.; Mesher, S. T. E.; Clark, P. D.
2,3,6,7-Tetrakis(methylthio)benzo[<i>b</i>]thiophene
Acta Crystallographica Section C
52(5)
(1996)
1248-1250 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,877 | 17.892 | 0.001 | 11.115 | 0.003 | 18.279 | 0.001 | 90 | null | 114.431 | 0.004 | 90 | null | 3,309.6 | 0.9 | 294 | null | 294 | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | mer-Dihydrido(iodo){bis[dimethyl(diphenylphosphino\-methyl)silyl]\- amine}\-iridium(III) | - C30 H39 I Ir N P2 Si2 - | - C30 H39 I Ir N P2 Si2 - | - C120 H156 I4 Ir4 N4 P8 Si8 - | 4 | 1 | FG1124 | Fryzuk, M. D.; MacNeil, P. A.; Rettig, S. J.; Stephan, M. | <i>mer</i>-{Bis[dimethyl(diphenylphosphinomethyl)silyl]amine-<i>N</i>,<i>P</i>,<i>P</i>'}dihydrido(iodo)iridium(III) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1115 | 1117 | 10.1107/S0108270195016544 | 0.7107 | MoKα | null | 0.027 | null | null | 0.022 | null | null | null | null | 1.32 | 1.32 | null | null | null | has coordinates | Fryzuk, M. D.; MacNeil, P. A.; Rettig, S. J.; Stephan, M.
<i>mer</i>-{Bis[dimethyl(diphenylphosphinomethyl)silyl]amine-<i>N</i>,<i>P</i>,<i>P</i>'}dihydrido(iodo)iridium(III)
Acta Crystallographica Section C
52(5)
(1996)
1115-1117 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,878 | 9.809 | 0.004 | 10.011 | 0.004 | 21.975 | 0.008 | 91.77 | 0.01 | 91.62 | 0.01 | 113.03 | 0.02 | 1,983.1 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | [Bis(benzimidazol-2ylethyl)sulfide] Nickel(II)nitrate | - C36 H36 N10 Ni O6 S2 - | - C36 H36 N10 Ni O6 S2 - | - C72 H72 N20 Ni2 O12 S4 - | 2 | 1 | FG1136 | Pandiyan, T.; Panneerselvam, K.; Soriano-García, M.; Durán de Bazúa, C.; Holt, E. M. | Bis[bis(2-benzimidazol-2-ylethyl) sulfide]nickel(II) Dinitrate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1137 | 1139 | 10.1107/S0108270195016398 | 0.71073 | MoKα | 0.0829 | 0.0533 | null | 0.1364 | 0.1181 | null | null | null | 1.073 | 1.156 | 1.156 | null | null | null | has coordinates | Pandiyan, T.; Panneerselvam, K.; Soriano-García, M.; Durán de Bazúa, C.; Holt, E. M.
Bis[bis(2-benzimidazol-2-ylethyl) sulfide]nickel(II) Dinitrate
Acta Crystallographica Section C
52(5)
(1996)
1137-1139 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,879 | 9.1293 | 0.0007 | 7.2499 | 0.0006 | 10.0753 | 0.0008 | 90 | null | 100.793 | 0.006 | 90 | null | 655.05 | 0.09 | 296 | null | 296 | null | null | null | null | null | 2 | P 1 21/c 1 | -P 2ybc | 14 | Octahydrochrysene | 1,2,3,4,7,8,9,10-octahydrochrysene | - C18 H20 - | - C18 H20 - | - C36 H40 - | 2 | 0.5 | FG1138 | Burd, C. J.; Dobson, A. J.; Gerkin, R. E. | Redetermination of Octahydrochrysene | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1241 | 1243 | 10.1107/S0108270195015460 | 0.71073 | MoKα | null | 0.045 | null | null | 0.053 | null | null | null | null | 1.76 | 1.76 | null | null | null | has coordinates | Burd, C. J.; Dobson, A. J.; Gerkin, R. E.
Redetermination of Octahydrochrysene
Acta Crystallographica Section C
52(5)
(1996)
1241-1243 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,880 | 8.539 | 0.002 | 5.229 | 0.006 | 10.268 | 0.003 | 90 | null | 97.2 | 0.02 | 90 | null | 454.9 | 0.5 | 296 | null | 296 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 1-(2-deoxy-α-D-erythro-pentopyranosyl) 1-(R),2-(R),4-triazolidine-3,5-dione | - C7 H11 N3 O5 - | - C7 H11 N3 O5 - | - C14 H22 N6 O10 - | 2 | 1 | FG1140 | Robinson, P. D.; Meyers, C. Y.; Kolb, V. M.; Colloton, P. A. | First Example of a Crystalline Urazole Nucleoside: (1<i>R</i>,2<i>R</i>)-Urazole-α-<small>D</small>-pyranosyl-2-deoxyriboside | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1215 | 1218 | 10.1107/S0108270195015873 | 0.71069 | MoKα | null | 0.027 | null | null | 0.029 | null | null | null | null | 1.23 | 1.23 | null | null | null | has coordinates | Robinson, P. D.; Meyers, C. Y.; Kolb, V. M.; Colloton, P. A.
First Example of a Crystalline Urazole Nucleoside: (1<i>R</i>,2<i>R</i>)-Urazole-α-<small>D</small>-pyranosyl-2-deoxyriboside
Acta Crystallographica Section C
52(5)
(1996)
1215-1218 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,232 | 8.473 | 0.003 | 9.236 | 0.003 | 7.709 | 0.004 | 109.9 | 0.03 | 92.26 | 0.04 | 107.89 | 0.03 | 532.8 | 0.4 | 170.2 | null | 170.2 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C5 H12 Cl2 N2 S Se - | - C5 H12 Cl2 N2 S Se - | - C10 H24 Cl4 N4 S2 Se2 - | 2 | 1 | Arto Maaninen; Tristram Chivers; Masood Parvez; Jarkko Pietikäinen; Risto S. Laitinen | Syntheses of THF Solutions of SeX2 (X = Cl, Br) and a New Route to Selenium Sulfides SenS8-n (n= 1-5): X-ray Crystal Structures of SeCl2(tht)2 and SeCl2.tmtu | Inorganic Chemistry | 1,999 | 38 | 4093 | 4097 | 10.1021/ic981430h | 0.7107 | MoKα | 0.0517 | 0.0517 | null | 0.0484 | 0.0484 | null | null | null | 2.099 | 2.099 | 2.099 | null | null | null | has coordinates | Arto Maaninen; Tristram Chivers; Masood Parvez; Jarkko Pietikäinen; Risto S. Laitinen
Syntheses of THF Solutions of SeX2 (X = Cl, Br) and a New Route to Selenium Sulfides SenS8-n (n= 1-5): X-ray Crystal Structures of SeCl2(tht)2 and SeCl2.tmtu
Inorganic Chemistry
38
(1999)
4093-4097 | 189,896 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-05 17:03:43 +0200 (Thu, 05 Jan 2017) $
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2,004,881 | 15.822 | 0.004 | 12.66 | 0.004 | 16.657 | 0.002 | 90 | null | 91.7 | 0.02 | 90 | null | 3,335 | 1.4 | 294.2 | null | 294.2 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C34 H46 Mo2 N2 O4 - | - C34 H46 Mo2 N2 O4 - | - C136 H184 Mo8 N8 O16 - | 4 | 1 | FG1147 | Legzdins, P.; Lundmark, P. J.; Rettig, S. J. | Bis-μ-hydroxo-bis[(benzyl)(nitrosyl-<i>N</i>)(η^5^-pentamethylcyclopentadienyl)molybdenum] | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1113 | 1115 | 10.1107/S0108270196001096 | 0.7107 | MoKα | null | 0.04 | null | null | 0.0399 | null | null | null | null | 2.01 | 2.01 | null | null | null | has coordinates | Legzdins, P.; Lundmark, P. J.; Rettig, S. J.
Bis-μ-hydroxo-bis[(benzyl)(nitrosyl-<i>N</i>)(η^5^-pentamethylcyclopentadienyl)molybdenum]
Acta Crystallographica Section C
52(5)
(1996)
1113-1115 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,882 | 8.444 | 0.002 | 5.015 | 0.002 | 12.5573 | 0.0009 | 90 | null | 100.345 | 0.009 | 90 | null | 523.1 | 0.2 | 290 | null | 290 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C4 H4 N4 - | - C4 H4 N4 - | - C16 H16 N16 - | 4 | 1 | HA1153 | Frampton, C. S. | 1,1-Diamino-2,2-dicyanoethene | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1218 | 1220 | 10.1107/S0108270195015721 | 0.7107 | MoKα | 0.0474 | 0.032 | null | 0.0403 | 0.039 | null | null | null | null | 2.59 | 2.59 | null | null | null | has coordinates | Frampton, C. S.
1,1-Diamino-2,2-dicyanoethene
Acta Crystallographica Section C
52(5)
(1996)
1218-1220 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,883 | 12.049 | 0.003 | 17.018 | 0.003 | 17.071 | 0.003 | 90 | null | 90 | null | 90 | null | 3,500.4 | 1.2 | 293 | null | null | null | null | null | null | null | 6 | P c a b | -P 2bc 2ac | 61 | - C10 H31 Br2 Cr N4 O3 - | - C10 H30 Br2 Cr N4 O3 - | - C80 H240 Br16 Cr8 N32 O24 - | 8 | 1 | HU1105 | Palmer, R. A.; Potter, B. S.; Tanriverdi, S.; Lisgarten, J. N.; Flint, C. D.; Gazi, D. M. | Structures of Chromium(III) Cyclam Complexes. 6. <i>trans</i>-Aquahydroxy(1,4,8,11-tetraazacyclotetradecane)chromium(III) Dibromide Hydrate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1177 | 1180 | 10.1107/S0108270195012996 | 1.54178 | CuKα | null | 0.0629 | null | null | 0.1485 | null | null | null | null | 1.063 | 1.063 | null | null | null | has coordinates | Palmer, R. A.; Potter, B. S.; Tanriverdi, S.; Lisgarten, J. N.; Flint, C. D.; Gazi, D. M.
Structures of Chromium(III) Cyclam Complexes. 6. <i>trans</i>-Aquahydroxy(1,4,8,11-tetraazacyclotetradecane)chromium(III) Dibromide Hydrate
Acta Crystallographica Section C
52(5)
(1996)
1177-1180 | 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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2,004,884 | 10.38719 | 0.00008 | 6.03925 | 0.00002 | 15.29563 | 0.00007 | 90 | null | 102.825 | 0.0004 | 90 | null | 935.572 | 0.009 | 4 | null | null | null | null | null | null | null | 4 | A 1 2/a 1 | -A 2ya | 15 | Trirubidiumhydrogendiselenide | - H O8 Rb3 Se2 - | - H2 O8 Rb3 Se2 - | - H8 O32 Rb12 Se8 - | 4 | 0.5 | JZ1057 | Melzer, R.; Sonntag, R.; Knight, K. S. | Rb~3~H(SeO~4~)~2~ at 4K by Neutron Powder Diffraction | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1061 | 1063 | 10.1107/S0108270195011085 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Melzer, R.; Sonntag, R.; Knight, K. S.
Rb~3~H(SeO~4~)~2~ at 4K by Neutron Powder Diffraction
Acta Crystallographica Section C
52(5)
(1996)
1061-1063 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,885 | 9.69 | 0.003 | 21.62 | 0.004 | 12.835 | 0.003 | 90 | null | 106.26 | 0.03 | 90 | null | 2,581.4 | 1.2 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 1,3,5-Trideoxy-1,3,5-tris(trimethylammonio)-cis-inositol triiodide sesquihydrate | - C15 H39 I3 N3 O4.5 - | - C15 H37 I3 N3 O4.5 - | - C60 H148 I12 N12 O18 - | 4 | 1 | JZ1076 | Schmalle, H. W.; Hegetschweiler, K. | Hydrogen Bonding <i>versus</i> van der Waals Repulsion in 1,3,5-Trideoxy-1,3,5-tris(trimethylammonio)-<i>cis</i>-inositol Triiodide Sesquihydrate, C~15~H~36~N~3~O~3~^3+^.3I^{-^}.1.5H~2~O | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1288 | 1293 | 10.1107/S0108270195013497 | 0.71073 | MoKα | 0.0868 | 0.0472 | null | 0.1637 | 0.115 | null | null | null | 1.285 | 1.149 | 1.149 | null | null | null | has coordinates | Schmalle, H. W.; Hegetschweiler, K.
Hydrogen Bonding <i>versus</i> van der Waals Repulsion in 1,3,5-Trideoxy-1,3,5-tris(trimethylammonio)-<i>cis</i>-inositol Triiodide Sesquihydrate, C~15~H~36~N~3~O~3~^3+^.3I^{-^}.1.5H~2~O
Acta Crystallographica Section C
52(5)
(1996)
1288-1293 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,004,886 | 10.719 | 0.007 | 14.198 | 0.005 | 9.773 | 0.003 | 90.05 | 0.03 | 96.31 | 0.04 | 89.32 | 0.04 | 1,478.2 | 1.2 | null | null | null | null | null | null | null | null | 8 | P -1 | -P 1 | 2 | [{1,1'-bis(methylphenylphosphino)ferrocene}(pentane-2,4-dionato)palladium] tetrafluoroborate | - C29 H31 B F4 Fe O2 P2 Pd - | - C29 H31 B F4 Fe O2 P2 Pd - | - C58 H62 B2 F8 Fe2 O4 P4 Pd2 - | 2 | 1 | JZ1104 | Herberich, G. E.; Moss, S.; Schultz, A. | [1,1'-Bis(methylphenylphosphino)ferrocene-<i>P</i>,<i>P</i>'](pentane-2,4-dionato-<i>O</i>,<i>O</i>')palladium Tetrafluoroborate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1080 | 1082 | 10.1107/S0108270195016775 | 0.71073 | MoKα | null | 0.04 | null | null | 0.049 | null | null | null | null | 1.366 | 1.366 | null | null | null | has coordinates | Herberich, G. E.; Moss, S.; Schultz, A.
[1,1'-Bis(methylphenylphosphino)ferrocene-<i>P</i>,<i>P</i>'](pentane-2,4-dionato-<i>O</i>,<i>O</i>')palladium Tetrafluoroborate
Acta Crystallographica Section C
52(5)
(1996)
1080-1082 | 208,360 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $
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4,322,231 | 17.4716 | 0.0013 | 17.4716 | 0.0013 | 26.435 | 0.004 | 90 | null | 90 | null | 90 | null | 8,069.5 | 1.5 | 158 | null | 158 | null | null | null | null | null | 5 | I 41 2 2 | I 4bw 2bw | 98 | - C70 H98 Cl12 N8 Os3 - | - C70 H60 Cl12 N8 Os3 - | - C280 H240 Cl48 N32 Os12 - | 4 | 0.25 | Claire Newton; Kimberly D. Edwards; Joseph W. Ziller; Nancy M. Doherty | Electron-Rich Nitrido-Bridged Complexes. Structure and Bonding in Triosmium Dinitrido Compounds | Inorganic Chemistry | 1,999 | 38 | 4032 | 4037 | 10.1021/ic981257p | 0.71073 | MoKα | 0.0406 | 0.0325 | null | 0.085 | 0.0815 | null | null | null | 1.119 | 1.143 | 1.143 | null | null | null | has coordinates | Claire Newton; Kimberly D. Edwards; Joseph W. Ziller; Nancy M. Doherty
Electron-Rich Nitrido-Bridged Complexes. Structure and Bonding in Triosmium Dinitrido Compounds
Inorganic Chemistry
38
(1999)
4032-4037 | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,887 | 37.086 | 0.009 | 16.045 | 0.005 | 12.128 | 0.005 | 90 | null | 101.425 | 0.015 | 90 | null | 7,074 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | Tris(1,10-phenanthroline)ruthenium(II) dihexafluorophosphate | - C36 H24 F12 N6 P2 Ru - | - C36 H24 F12 N6 P2 Ru - | - C288 H192 F96 N48 P16 Ru8 - | 8 | 1 | JZ1107 | Breu, J.; Stoll, A. J. | Tris(1,10-phenanthroline)ruthenium(II) Bis(hexafluorophosphate) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1174 | 1177 | 10.1107/S0108270195017057 | 0.71069 | MoKα | 0.0715 | 0.0435 | null | 0.1142 | 0.1039 | null | null | null | 0.914 | 1.034 | 1.034 | null | null | null | has coordinates | Breu, J.; Stoll, A. J.
Tris(1,10-phenanthroline)ruthenium(II) Bis(hexafluorophosphate)
Acta Crystallographica Section C
52(5)
(1996)
1174-1177 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,888 | 13.103 | 0.004 | 7.734 | 0.001 | 13.392 | 0.004 | 90 | null | 119.09 | 0.01 | 90 | null | 1,185.9 | 0.5 | 198 | 2 | 198 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | [tert-Butyl(methyl)ether-O]-lithium phenylmethanide | - C12 H19 Li O - | - C12 H19 Li O - | - C48 H76 Li4 O4 - | 4 | 1 | JZ1111 | Müller, G.; Lutz, M.; Waldkircher, M. | Benzyllithium <i>tert</i>-Butyl Methyl Etherate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1182 | 1184 | 10.1107/S0108270196000923 | 0.71069 | MoKα | 0.1607 | 0.0526 | null | 0.1379 | 0.1058 | null | null | null | 1.006 | 1.128 | 1.128 | null | null | null | has coordinates | Müller, G.; Lutz, M.; Waldkircher, M.
Benzyllithium <i>tert</i>-Butyl Methyl Etherate
Acta Crystallographica Section C
52(5)
(1996)
1182-1184 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,889 | 20.756 | 0.001 | 6.16 | 0.001 | 21.475 | 0.001 | 90 | null | 97.32 | 0.01 | 90 | null | 2,723.4 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C36 H28 N2 Ni O2 - | - C36 H28 N2 Ni O2 - | - C144 H112 N8 Ni4 O8 - | 4 | 0.5 | KA1135 | Elerman, Y.; Kabak, M.; Tahir, M. N. | Bis(<i>N</i>-benzyl-2-hydroxy-1-naphthaldiminato)nickel(II) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1154 | 1156 | 10.1107/S0108270195016015 | 0.71073 | MoKα | 0.123 | 0.045 | null | 0.211 | 0.075 | null | null | null | 2.42 | 1.18 | 1.18 | null | null | null | has coordinates | Elerman, Y.; Kabak, M.; Tahir, M. N.
Bis(<i>N</i>-benzyl-2-hydroxy-1-naphthaldiminato)nickel(II)
Acta Crystallographica Section C
52(5)
(1996)
1154-1156 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,890 | 15.187 | 0.005 | 12.883 | 0.003 | 11.468 | 0.003 | 90 | null | 90 | null | 90 | null | 2,243.8 | 1.1 | 293 | null | 293 | 2 | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | 4,5-ethylenedioxy-1,3-dimethyl-dihydrouric acid | cis-4,5-ethylenedioxy-1,3-dimethyltetrahydropurine-2,6,8-trione | - C9 H12 N4 O5 - | - C9 H12 N4 O5 - | - C72 H96 N32 O40 - | 8 | 2 | KA1144 | Poje, N.; Poje, M.; Vickovic, I. | <i>cis</i>-Perhydro-1,3-dimethyl-4,5-(epoxyethanoxy)purine-2,6,8-trione | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1311 | 1313 | 10.1107/S0108270195011322 | 1.54178 | CuKα | 0.0465 | 0.0426 | null | 0.0725 | 0.0711 | null | null | null | 0.982 | 1.013 | 1.013 | null | null | null | has coordinates | Poje, N.; Poje, M.; Vickovic, I.
<i>cis</i>-Perhydro-1,3-dimethyl-4,5-(epoxyethanoxy)purine-2,6,8-trione
Acta Crystallographica Section C
52(5)
(1996)
1311-1313 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,891 | 12.461 | 0.006 | 6.454 | 0.004 | 13.621 | 0.005 | 90 | null | 107.57 | 0.01 | 90 | null | 1,044.3 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 4-hydroxyantipyrine | - C11 H12 N2 O2 - | - C11 H12 N2 O2 - | - C44 H48 N8 O8 - | 4 | 1 | KA1148 | Panneerselvam, K.; Jayanthi, N.; Rudiño-Piñera, E.; Soriano-García, M. | 4-Hydroxyantipyrine | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1257 | 1258 | 10.1107/S0108270195015459 | 1.54178 | CuKα | 0.0506 | 0.047 | null | 0.1226 | 0.1177 | null | null | null | 1.073 | 1.091 | 1.091 | null | null | null | has coordinates | Panneerselvam, K.; Jayanthi, N.; Rudiño-Piñera, E.; Soriano-García, M.
4-Hydroxyantipyrine
Acta Crystallographica Section C
52(5)
(1996)
1257-1258 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,892 | 14.819 | 0.001 | 10.765 | 0.001 | 20.673 | 0.002 | 90 | null | 92.28 | null | 90 | null | 3,295.3 | 0.5 | 158 | 2 | 158 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Hexakis(N,N-dimethylformamide)-nickel(II) Diperchlorate | - C18 H42 Cl2 N6 Ni O14 - | - C18 H42 Cl2 N6 Ni O14 - | - C72 H168 Cl8 N24 Ni4 O56 - | 4 | 1 | KA1163 | McKee, V.; Metcalfe, T.; Wikaira, J. | Hexakis(<i>N</i>,<i>N</i>-dimethylformamide)nickel(II) Diperchlorate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1139 | 1141 | 10.1107/S010827019501523X | 0.71073 | MoKα | 0.0588 | 0.0407 | null | 0.1109 | 0.0931 | null | null | null | 1.035 | 1.07 | 1.07 | null | null | null | has coordinates | McKee, V.; Metcalfe, T.; Wikaira, J.
Hexakis(<i>N</i>,<i>N</i>-dimethylformamide)nickel(II) Diperchlorate
Acta Crystallographica Section C
52(5)
(1996)
1139-1141 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,893 | 13.926 | 0.002 | 32.8 | 0.004 | 6.283 | 0.004 | 90 | null | 90 | null | 90 | null | 2,869.9 | 1.9 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C30 H48 O5 - | - C30 H48 O5 - | - C120 H192 O20 - | 4 | 1 | KA1164 | Böcskei, Z.; Szendi, Z.; Sweet, F. | A Side-Chain Substituted Cholesterol Analog | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1302 | 1304 | 10.1107/S0108270195016295 | 1.5418 | CuKα | 0.2176 | 0.0705 | null | 0.3207 | 0.1907 | null | null | null | 1.051 | 1.2 | 1.2 | null | null | null | has coordinates | Böcskei, Z.; Szendi, Z.; Sweet, F.
A Side-Chain Substituted Cholesterol Analog
Acta Crystallographica Section C
52(5)
(1996)
1302-1304 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,894 | 21.64 | 0.002 | 7.866 | 0.001 | 6.72 | 0.01 | 90 | 0.01 | 96.16 | 0.01 | 90 | 0.009 | 1,137.3 | 1.7 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | ethyl p-methoxycinnamate | - C12 H14 O3 - | - C12 H14 O3 - | - C48 H56 O12 - | 4 | 1 | KA1167 | Luger, P.; Weber, M.; Dung, N. X.; Tuyet, N. T. B. | Ethyl <i>p</i>-Methoxycinnamate from <i>Kaempferia galanga L</i>. in Vietnam | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1255 | 1257 | 10.1107/S0108270195016027 | 1.5418 | CuKαradiation,Nifiltered | 0.053 | 0.039 | null | 0.044 | 0.034 | null | null | null | 0.497 | 0.418 | 0.418 | null | null | null | has coordinates | Luger, P.; Weber, M.; Dung, N. X.; Tuyet, N. T. B.
Ethyl <i>p</i>-Methoxycinnamate from <i>Kaempferia galanga L</i>. in Vietnam
Acta Crystallographica Section C
52(5)
(1996)
1255-1257 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,895 | 20.054 | 0.004 | 13.005 | 0.003 | 9.611 | 0.002 | 90 | null | 90 | null | 90 | null | 2,506.6 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c n | -P 2n 2ab | 60 | bis[(benzoato-O,O')bis(nicotinamide-N)]copper(II) | - C26 H22 Cu N4 O6 - | - C26 H22 Cu N4 O6 - | - C104 H88 Cu4 N16 O24 - | 4 | 0.5 | KA1172 | Leban, I.; Segedin, P.; Gruber, K. | Bis(benzoato-<i>O</i>,<i>O</i>')bis(nicotinamide-<i>N</i>)copper(II) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1096 | 1098 | 10.1107/S0108270195017240 | 0.71073 | MoKα | 0.1098 | 0.0531 | null | 0.1785 | 0.1224 | null | null | null | 1.074 | 1.063 | 1.063 | null | null | null | has coordinates,has Fobs | Leban, I.; Segedin, P.; Gruber, K.
Bis(benzoato-<i>O</i>,<i>O</i>')bis(nicotinamide-<i>N</i>)copper(II)
Acta Crystallographica Section C
52(5)
(1996)
1096-1098 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,896 | 12.464 | 0.003 | 14.934 | 0.003 | 17.46 | 0.003 | 90 | null | 90 | null | 90 | null | 3,250 | 1.2 | 293 | null | 293 | null | null | null | null | null | 7 | C 2 2 21 | C 2c 2 | 20 | bis[bis(4-methylthiazolinylidene)gold(I)] tetrachlorozincate dichloromethane | - C8.5 H11 Au Cl3 N2 S2 Zn0.5 - | - C10 H8 Au Cl2 N2 S2 Zn0.5 - | - C80 H64 Au8 Cl16 N16 S16 Zn4 - | 8 | 1 | KH1025 | Kruger, G. J.; Olivier, P. J.; Otte, R.; Raubenheimer, H. G. | Bis[bis(4-methylthiazolin-2-ylidene)gold(I)] Tetrachlorozincate Dichloromethane | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1159 | 1161 | 10.1107/S0108270195015514 | 0.7093 | MoKα | 0.078 | 0.05 | null | 0.055 | 0.054 | null | null | null | 3.587 | 4.045 | 4.045 | null | null | null | has coordinates | Kruger, G. J.; Olivier, P. J.; Otte, R.; Raubenheimer, H. G.
Bis[bis(4-methylthiazolin-2-ylidene)gold(I)] Tetrachlorozincate Dichloromethane
Acta Crystallographica Section C
52(5)
(1996)
1159-1161 | 188,742 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-11-29 15:52:50 +0200 (Tue, 29 Nov 2016) $
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2,004,897 | 9.46 | 0.002 | 19.572 | 0.004 | 20.017 | 0.006 | 90 | null | 92.58 | 0.02 | 90 | null | 3,702.4 | 1.6 | 300 | null | null | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C38 H34 Ag Cl N2 P2 S2 - | - C38 H34 Ag Cl N2 P2 S2 - | - C152 H136 Ag4 Cl4 N8 P8 S8 - | 4 | 1 | KH1051 | Long, D.-L.; Xin, X.-Q.; Huang, X.-Y.; Kang, B.-S. | Chloro(ethanedithioamide-<i>S</i>)bis(triphenylphosphine)silver(I) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1161 | 1163 | 10.1107/S0108270195013813 | 0.71073 | MoKα | null | 0.037 | null | null | 0.049 | null | null | null | null | 1.35 | 1.35 | null | null | null | has coordinates | Long, D.-L.; Xin, X.-Q.; Huang, X.-Y.; Kang, B.-S.
Chloro(ethanedithioamide-<i>S</i>)bis(triphenylphosphine)silver(I)
Acta Crystallographica Section C
52(5)
(1996)
1161-1163 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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4,322,230 | 31.374 | 0.003 | 12.1153 | 0.0012 | 21.252 | 0.002 | 90 | null | 130.958 | 0.005 | 90 | null | 6,100.4 | 1.1 | 158 | null | 158 | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C56 H70 Cl8 N8 Os3 - | - C56 H70 Cl8 N8 Os3 - | - C224 H280 Cl32 N32 Os12 - | 4 | 0.5 | Claire Newton; Kimberly D. Edwards; Joseph W. Ziller; Nancy M. Doherty | Electron-Rich Nitrido-Bridged Complexes. Structure and Bonding in Triosmium Dinitrido Compounds | Inorganic Chemistry | 1,999 | 38 | 4032 | 4037 | 10.1021/ic981257p | 0.71073 | MoKα | 0.0461 | 0.0274 | null | 0.058 | 0.052 | null | null | null | 1.031 | 1.055 | 1.055 | null | null | null | has coordinates | Claire Newton; Kimberly D. Edwards; Joseph W. Ziller; Nancy M. Doherty
Electron-Rich Nitrido-Bridged Complexes. Structure and Bonding in Triosmium Dinitrido Compounds
Inorganic Chemistry
38
(1999)
4032-4037 | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,898 | 8.215 | 0.001 | 17.387 | 0.002 | 10.042 | 0.001 | 90 | null | 101.92 | 0.01 | 90 | null | 1,403.4 | 0.3 | 200 | 2 | 200 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H19 Li N2 O4 - | - C12 H19 Li N2 O4 - | - C48 H76 Li4 N8 O16 - | 4 | 1 | KH1058 | Näther, C.; John, A.; Ruppert, K.; Bock, H. | Bis(<i>N</i>,<i>N</i>-dimethylformamide)(pyrocatecholato-<i>O</i>,<i>O</i>')lithium | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1166 | 1168 | 10.1107/S010827019501571X | 0.71073 | MoKα | 0.101 | 0.0453 | null | 0.0894 | 0.0788 | null | null | null | 0.974 | 1.136 | 1.136 | null | null | null | has coordinates | Näther, C.; John, A.; Ruppert, K.; Bock, H.
Bis(<i>N</i>,<i>N</i>-dimethylformamide)(pyrocatecholato-<i>O</i>,<i>O</i>')lithium
Acta Crystallographica Section C
52(5)
(1996)
1166-1168 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,899 | 9.358 | 0.001 | 13.408 | 0.001 | 13.755 | 0.001 | 90 | null | 90 | null | 90 | null | 1,725.9 | 0.3 | 298 | 3 | null | null | null | null | null | null | 5 | P m c n | -P 2n -21 | null | - C12 H24 Cu N6 S2 - | - C6.5 H12 Cu0.5 N3.5 S1.5 - | - C26 H48 Cu2 N14 S6 - | 4 | 0.5 | KH1068 | Lu, T.-H.; Tahirov, T. H.; Liu, Y.-L.; Chung, C.-S.; Huang, C.-C.; Hong, Y.-S. | (Isothiocyanato)[(1<i>RS</i>,4<i>RS</i>,8<i>SR</i>,11<i>SR</i>)-1,4,8,11-tetraazacyclotetradecane]copper(II) Thiocyanate, [Cu(NCS)(cyclam)](SCN) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1093 | 1095 | 10.1107/S0108270195016519 | 0.71073 | MoKα | null | 0.041 | null | null | 0.048 | null | null | null | null | 1.53 | 1.53 | null | null | null | has coordinates | Lu, T.-H.; Tahirov, T. H.; Liu, Y.-L.; Chung, C.-S.; Huang, C.-C.; Hong, Y.-S.
(Isothiocyanato)[(1<i>RS</i>,4<i>RS</i>,8<i>SR</i>,11<i>SR</i>)-1,4,8,11-tetraazacyclotetradecane]copper(II) Thiocyanate, [Cu(NCS)(cyclam)](SCN)
Acta Crystallographica Section C
52(5)
(1996)
1093-1095 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,900 | 6.374 | 0.001 | 9.917 | 0.002 | 26.743 | 0.003 | 90 | null | 90 | null | 90 | null | 1,690.5 | 0.5 | 293 | null | null | null | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | - C7 H12 O5 - | - C7 H12 O5 - | - C56 H96 O40 - | 8 | 1 | LI1141 | Zukerman-Schpector, J.; Caracelli, I.; Varanda, N. A.; Brockson, U. | Synthesis and Relative Configuration of (±)-(1α,2β,3β,4α)-1,2,3,4-Cyclopentanetetrol 1-Acetate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1298 | 1299 | 10.1107/S0108270195015812 | 0.71073 | MoKα | 0.0711 | 0.0472 | null | 0.3476 | 0.1185 | null | null | null | 1.082 | 1.068 | 1.068 | null | null | null | has coordinates | Zukerman-Schpector, J.; Caracelli, I.; Varanda, N. A.; Brockson, U.
Synthesis and Relative Configuration of (±)-(1α,2β,3β,4α)-1,2,3,4-Cyclopentanetetrol 1-Acetate
Acta Crystallographica Section C
52(5)
(1996)
1298-1299 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,901 | 25.99 | 0.002 | 7.078 | 0.001 | 13.203 | 0.001 | 90 | null | 103.82 | 0.05 | 90 | null | 2,358.5 | 0.7 | 296 | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | bis-(N-4-chlorobenzilydene 2-mercaptoaniline)nickel(II) | - C26 H18 Cl2 N2 Ni S2 - | - C26 H18 Cl2 N2 Ni S2 - | - C104 H72 Cl8 N8 Ni4 S8 - | 4 | 0.5 | MU1204 | Ercan, F.; Ülkü, D.; Ancin, N.; Oztas, S. G.; Tüzün, M. | Bis[<i>N</i>-(4-chlorobenzylidene)-2-mercaptoanilinato]nickel(II) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1141 | 1143 | 10.1107/S0108270195014594 | 0.71073 | MoKα | null | 0.047 | null | null | 0.05 | null | null | null | null | 0.73 | 0.73 | null | null | null | has coordinates | Ercan, F.; Ülkü, D.; Ancin, N.; Oztas, S. G.; Tüzün, M.
Bis[<i>N</i>-(4-chlorobenzylidene)-2-mercaptoanilinato]nickel(II)
Acta Crystallographica Section C
52(5)
(1996)
1141-1143 | 198,476 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,902 | 14.644 | 0.006 | 15.644 | 0.004 | 23.085 | 0.004 | 90 | null | 90 | null | 90 | null | 5,289 | 3 | 296 | null | null | null | null | null | null | null | 6 | C c c a :2 | -C 2a 2ac | 68 | - C24 H24 N2 Ni O2 S4 - | - C24 H24 N2 Ni O2 S4 - | - C192 H192 N16 Ni8 O16 S32 - | 8 | 0.5 | MU1212 | Xiong, R.-G.; Zuo, J.-L.; You, X.-Z.; Huang, X.-Y. | <i>trans</i>-Bis(<i>O</i>-ethyl dithiocarbonato-<i>S</i>,<i>S</i>')bis(isoquinoline)nickel(II) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1157 | 1159 | 10.1107/S0108270195014727 | 0.71073 | MoKα | null | 0.056 | null | null | 0.068 | null | null | null | null | 1.69 | 1.69 | null | null | null | has coordinates | Xiong, R.-G.; Zuo, J.-L.; You, X.-Z.; Huang, X.-Y.
<i>trans</i>-Bis(<i>O</i>-ethyl dithiocarbonato-<i>S</i>,<i>S</i>')bis(isoquinoline)nickel(II)
Acta Crystallographica Section C
52(5)
(1996)
1157-1159 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
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2,004,903 | 13.012 | 0.002 | 14.133 | 0.002 | 11.856 | 0.002 | 92.96 | 0.01 | 112.946 | 0.009 | 77.55 | 0.01 | 1,959.3 | 0.5 | 293.2 | null | 293.2 | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C8 H42 Co2 Mo6 N2 O37 P4 - | - C8 H24 Co2 Mo6 N2 O37 P4 - | - C16 H48 Co4 Mo12 N4 O74 P8 - | 2 | 1 | MU1218 | Lightfoot, P.; Masson, D. | [N(CH~3~)~4~]~2~[Co~2~Mo~6~O~12~(OH)~4~(PO~4~)(HPO~4~)~2~(H~2~PO~4~)].5H~2~O, a New One-Dimensional Molybdenum Phosphate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1077 | 1080 | 10.1107/S0108270195015551 | 0.71073 | MoKα | null | 0.041 | null | null | 0.057 | null | null | null | null | 4.91 | 4.91 | null | null | null | has coordinates | Lightfoot, P.; Masson, D.
[N(CH~3~)~4~]~2~[Co~2~Mo~6~O~12~(OH)~4~(PO~4~)(HPO~4~)~2~(H~2~PO~4~)].5H~2~O, a New One-Dimensional Molybdenum Phosphate
Acta Crystallographica Section C
52(5)
(1996)
1077-1080 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 176435 $
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2,004,904 | 8.601 | 0.001 | 8.768 | 0.001 | 15.008 | 0.002 | 89.32 | 0.01 | 83.97 | 0.01 | 81.22 | 0.01 | 1,112.3 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Bis(S-methyl-β-N-(4-methoxyphenyl)methylendithiocarbazide) nickel(II). | - C20 H22 N4 Ni O2 S4 - | - C20 H22 N4 Ni O2 S4 - | - C40 H44 N8 Ni2 O4 S8 - | 2 | 1 | MU1220 | Fun, H.-K.; Sivakumar, K.; Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z. | Bis[methyl <i>N</i>^{β^}-(4-methoxyphenylmethylene)dithiocarbazato]nickel(II) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1143 | 1145 | 10.1107/S0108270195015290 | 0.71073 | MoKα | 0.0367 | 0.0328 | null | 0.0942 | 0.0914 | null | null | null | 1.063 | 1.109 | 1.109 | null | null | null | has coordinates | Fun, H.-K.; Sivakumar, K.; Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.
Bis[methyl <i>N</i>^{β^}-(4-methoxyphenylmethylene)dithiocarbazato]nickel(II)
Acta Crystallographica Section C
52(5)
(1996)
1143-1145 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,004,905 | 8.534 | 0.001 | 8.765 | 0.001 | 9.975 | 0.001 | 87.56 | 0.01 | 64.89 | 0.01 | 72.26 | 0.01 | 640.23 | 0.14 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis(1-methyl-4-methylpyridinium) bis(maleonitriledithiolate) nickel(II). | - C22 H20 N6 Ni S4 - | - C22 H20 N6 Ni S4 - | - C22 H20 N6 Ni S4 - | 1 | 0.5 | MU1222 | Shan, B.-Z.; Zhang, X.-M.; You, X.-Z.; Fun, H.-K.; Sivakumar, K. | Bis(1,4-dimethylpyridinium) Bis(maleonitriledithiolato)nickelate(II) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1148 | 1150 | 10.1107/S0108270195014429 | 0.71073 | MoKα | 0.0347 | 0.0327 | null | 0.0984 | 0.0971 | null | null | null | 1.077 | 1.112 | 1.112 | null | null | null | has coordinates | Shan, B.-Z.; Zhang, X.-M.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.
Bis(1,4-dimethylpyridinium) Bis(maleonitriledithiolato)nickelate(II)
Acta Crystallographica Section C
52(5)
(1996)
1148-1150 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,004,906 | 27.858 | 0.005 | 8.094 | 0.002 | 9.951 | 0.002 | 90 | null | 90 | null | 90 | null | 2,243.8 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P c a 21 | P 2c -2ac | 29 | 1-Morpholinyl-3-phenylthiourea. | - C11 H14 N2 O S - | - C11 H14 N2 O S - | - C88 H112 N16 O8 S8 - | 8 | 2 | MU1225 | Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K. | <i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1285 | 1288 | 10.1107/S0108270195015010 | 0.71073 | MoKα | 0.063 | 0.047 | null | 0.1401 | 0.1309 | null | null | null | 1.065 | 1.173 | 1.173 | null | null | null | has coordinates | Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.
<i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide
Acta Crystallographica Section C
52(5)
(1996)
1285-1288 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,229 | 12.118 | 0.003 | 12.156 | 0.002 | 9.977 | 0.001 | 112.49 | 0.01 | 99.22 | 0.02 | 77.63 | 0.02 | 1,321.4 | 0.4 | 20 | null | 20 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C25 H27 Cl Co2 N4 O8 - | - C50 H54 Cl2 Co4 N8 O16 - | - C50 H54 Cl2 Co4 N8 O16 - | null | null | Satoru Kita; Hideki Furutachi; Hisashi Ōkawa | (μ-Phenoxo)2CoIIMII (M = Mn, Co, Zn) Complexes with a Co(salen) Entity in a Macrocyclic Framework: Core Structures and Neighboring MII Effects upon Oxygenation at the Co(salen) Center | Inorganic Chemistry | 1,999 | 38 | 4038 | 4045 | 10.1021/ic9809456 | 0.7107 | MoKalpha | null | 0.038 | null | null | 0.025 | null | null | null | null | 3.39 | 3.39 | null | null | null | has coordinates | Satoru Kita; Hideki Furutachi; Hisashi Ōkawa
(μ-Phenoxo)2CoIIMII (M = Mn, Co, Zn) Complexes with a Co(salen) Entity in a Macrocyclic Framework: Core Structures and Neighboring MII Effects upon Oxygenation at the Co(salen) Center
Inorganic Chemistry
38
(1999)
4038-4045 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
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2,004,907 | 40.201 | 0.005 | 7.59 | 0.001 | 7.829 | 0.001 | 90 | null | 90 | null | 90 | null | 2,388.8 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P c c n | -P 2ab 2ac | 56 | 1-Morpholinyl-3-tolylthiourea. | - C12 H16 N2 O S - | - C12 H16 N2 O S - | - C96 H128 N16 O8 S8 - | 8 | 1 | MU1225 | Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K. | <i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1285 | 1288 | 10.1107/S0108270195015010 | 0.71073 | MoKα | 0.094 | 0.0507 | null | 0.305 | 0.1396 | null | null | null | 0.966 | 1.036 | 1.036 | null | null | null | has coordinates | Ramnathan, A.; Sivakumar, K.; Srinivasan, N.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.
<i>N</i>-Phenyl-4-morpholinecarbothioamide and <i>N</i>-(2-Tolyl)-4-morpholinecarbothioamide
Acta Crystallographica Section C
52(5)
(1996)
1285-1288 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,908 | 13.3698 | 0.0002 | 8.5803 | 0.0001 | 16.5573 | 0.0001 | 90 | null | 109.459 | 0.001 | 90 | null | 1,790.91 | 0.04 | 153 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Bis(2-methyl-8-quinolinolato) Molybdenum | - C20 H16 Mo N2 O4 - | - C20 H16 Mo N2 O4 - | - C80 H64 Mo4 N8 O16 - | 4 | 1 | MU1231 | Fun, H.-K.; Sivakumar, K.; Niu, J.-Y.; Wang, J.-P.; You, X.-Z. | <i>cis</i>-Bis(2-methyl-8-quinolinolato-<i>N</i>,<i>O</i>)dioxomolybdenum(VI) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1150 | 1152 | 10.1107/S0108270195016933 | 0.71073 | MoKα | 0.0238 | 0.0229 | null | 0.0556 | 0.0552 | null | null | null | 1.143 | 1.144 | 1.144 | null | null | null | has coordinates | Fun, H.-K.; Sivakumar, K.; Niu, J.-Y.; Wang, J.-P.; You, X.-Z.
<i>cis</i>-Bis(2-methyl-8-quinolinolato-<i>N</i>,<i>O</i>)dioxomolybdenum(VI)
Acta Crystallographica Section C
52(5)
(1996)
1150-1152 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,909 | 7.438 | 0.001 | 15.332 | 0.002 | 17.722 | 0.003 | 103.36 | 0.01 | 92.14 | 0.01 | 101.7 | 0.01 | 1,917.9 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis-4-{(p-dimethylamino)styryl}pyridinium bis(maleonitriledithiolate) nickelate(II). | - C40 H38 N8 Ni S4 - | - C40 H38 N8 Ni S4 - | - C80 H76 N16 Ni2 S8 - | 2 | 1 | MU1233 | Fun, H.-K.; Sivakumar, K.; Shan, B.-Z.; You, X.-Z. | Bis[4-(4-dimethylaminostyryl)-<i>N</i>-methylpyridinium] Bis[maleonitriledithiolato(2‒)-<i>S</i>,<i>S</i>']nickelate(II) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1152 | 1154 | 10.1107/S0108270195016921 | 0.71073 | MoKα | 0.0566 | 0.0368 | null | 0.1059 | 0.0975 | null | null | null | 0.934 | 1.049 | 1.049 | null | null | null | has coordinates | Fun, H.-K.; Sivakumar, K.; Shan, B.-Z.; You, X.-Z.
Bis[4-(4-dimethylaminostyryl)-<i>N</i>-methylpyridinium] Bis[maleonitriledithiolato(2‒)-<i>S</i>,<i>S</i>']nickelate(II)
Acta Crystallographica Section C
52(5)
(1996)
1152-1154 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,910 | 9.431 | 0.002 | 11.27 | 0.002 | 15.781 | 0.003 | 90 | null | 91.13 | 0.03 | 90 | null | 1,677 | 0.6 | 193 | 2 | 193 | 2 | null | null | null | null | 6 | P 1 2/c 1 | -P 2yc | 13 | Dichlorophenyl imino Zirconium dimer THF adduct | Zr,Zr,Zr',Zr'-TetrachloroDi(μ-Phenyl-imino)Zr,Zr,Zr',Zr'- Tetrakis(Tetrahydrofurane)DiZirconium(IV) | - C28 H42 Cl4 N2 O4 Zr2 - | - C28 H42 Cl4 N2 O4 Zr2 - | - C56 H84 Cl8 N4 O8 Zr4 - | 2 | 0.5 | MU1234 | Polamo, M.; Mutikainen, I.; Leskelä, M. | A 1:4 Adduct of Tetrachlorobis(μ-phenylimido)dizirconium(IV) and Tetrahydrofuran | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1082 | 1084 | 10.1107/S0108270195016891 | 0.71069 | MoKα | 0.0408 | 0.0362 | null | 0.0896 | 0.0871 | null | null | null | 1.037 | 1.064 | 1.064 | null | null | null | has coordinates | Polamo, M.; Mutikainen, I.; Leskelä, M.
A 1:4 Adduct of Tetrachlorobis(μ-phenylimido)dizirconium(IV) and Tetrahydrofuran
Acta Crystallographica Section C
52(5)
(1996)
1082-1084 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,911 | 11.755 | 0.008 | 14.521 | 0.003 | 15.884 | 0.005 | 89.333 | 0.001 | 77.715 | 0.001 | 67.027 | 0.001 | 2,431.4 | 1.9 | 298 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | Bis(Tetraphenylphosphonium)Tetrachloro-dioxouranium(VI).dichloromethane | - C49 H42 Cl6 O2 P2 U - | - C49 H42 Cl6 O2 P2 U - | - C98 H84 Cl12 O4 P4 U2 - | 2 | 1 | MU1235 | Brown, D. R.; Chippindale, A. M.; Denning, R. G. | Bis(tetraphenylphosphonium) Tetrachlorodioxouranate(VI) Dichloromethane Solvate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1164 | 1166 | 10.1107/S0108270195016908 | 0.71069 | MoKα | null | 0.0461 | null | null | 0.0491 | null | null | null | null | 1.0864 | 1.0864 | null | null | null | has coordinates | Brown, D. R.; Chippindale, A. M.; Denning, R. G.
Bis(tetraphenylphosphonium) Tetrachlorodioxouranate(VI) Dichloromethane Solvate
Acta Crystallographica Section C
52(5)
(1996)
1164-1166 | 189,213 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 189213 $
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2,004,912 | 8.131 | 0.003 | 10.052 | 0.004 | 18.473 | 0.004 | 100.75 | 0.04 | 101.52 | 0.04 | 99.03 | 0.04 | 1,423.6 | 0.9 | 297 | 2 | 295 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | (3,8,12,17-Me~4~-(9,10,11)(18,1,2)pyo~2~-[18]-3,7,12,16-tetraene- 1,4,7,10,13,16-N~6~)tris(isothiocyanato-N)europium tris(isocyanato-N)(2,7,13,18-tertamethyl-3,6,14,17,23,24-hexaazatricyclo [17.3.1.1^8,12^]tetracosa-1(23),8(24),9,11,19,21-hexaene-N^3^,N^6^,N^14^, N^17^,N^23^,N^24^)europium | - C25 H26 Eu N9 S3 - | - C25 H26 Eu N9 S3 - | - C50 H52 Eu2 N18 S6 - | 2 | 1 | NA1202 | Benetollo, F.; Bombieri, G.; Vallarino, L. M. | The β Form of the Macrocyclic Complex [Eu(NCS)~3~(C~22~H~26~N~6~)] | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1190 | 1193 | 10.1107/S0108270195015484 | 0.71069 | MoKα | 0.0293 | 0.0276 | null | 0.0731 | 0.0696 | null | null | null | 1.103 | 1.103 | 1.103 | null | null | null | has coordinates | Benetollo, F.; Bombieri, G.; Vallarino, L. M.
The β Form of the Macrocyclic Complex [Eu(NCS)~3~(C~22~H~26~N~6~)]
Acta Crystallographica Section C
52(5)
(1996)
1190-1193 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,913 | 10.6262 | 0.001 | 18.101 | 0.002 | 14.1962 | 0.0014 | 90 | null | 107.376 | 0.008 | 90 | null | 2,606 | 0.5 | 173 | 2 | 173 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | Tricarbonyl(cyclopentadienyl)(selenotriphenylphosphonium)tungsten(I) Perchlorate | - C26 H20 Cl O7 P Se W - | - C26 H20 Cl O7 P Se W - | - C104 H80 Cl4 O28 P4 Se4 W4 - | 4 | 1 | NA1204 | Thöne, C.; Jones, P. G. | Tricarbonyl(cyclopentadienyl)(selenotriphenylphosphonium)tungsten(I) Perchlorate, [W(C~5~H~5~)(C~18~H~15~PSe)(CO)~3~](ClO~4~) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1084 | 1086 | 10.1107/S0108270195015289 | 0.71073 | MoKα | 0.0461 | 0.0275 | null | 0.056 | 0.0524 | null | null | null | 0.905 | 0.992 | 0.992 | null | null | null | has coordinates | Thöne, C.; Jones, P. G.
Tricarbonyl(cyclopentadienyl)(selenotriphenylphosphonium)tungsten(I) Perchlorate, [W(C~5~H~5~)(C~18~H~15~PSe)(CO)~3~](ClO~4~)
Acta Crystallographica Section C
52(5)
(1996)
1084-1086 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,914 | 6.8415 | 0.0003 | 24.411 | 0.003 | 19.377 | 0.001 | 90 | null | 95.888 | 0.006 | 90 | null | 3,219 | 0.5 | 298 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4-Methoxy-9-methyl-9H-carbazol-1,2-dimethyldicarboxalat | - C18 H17 N O5 - | - C18.5 H17 N O4.5 - | - C148 H136 N8 O36 - | 8 | 2 | NA1206 | Schollmeyer, D.; Fischer, G.; Pindur, U. | Pyrrolo-Annellated Carbazoles as Potential Antitumour-Active Compounds: Dimethyl 4-Methoxy-9-methyl-9<i>H</i>-carbazole-1,2-dicarboxylate and 5-Hydroxy-2-phenyl-10-methyl-1,2,3,10-tetrahydropyrrolo[3,4-<i>a</i>]carbazole-1,3-dione Methanol Solvate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1277 | 1280 | 10.1107/S010827019501609X | 1.5416 | CuKα | null | 0.06 | null | 0.07 | null | null | null | null | 6.88 | null | null | null | null | null | has coordinates,has disorder | Schollmeyer, D.; Fischer, G.; Pindur, U.
Pyrrolo-Annellated Carbazoles as Potential Antitumour-Active Compounds: Dimethyl 4-Methoxy-9-methyl-9<i>H</i>-carbazole-1,2-dicarboxylate and 5-Hydroxy-2-phenyl-10-methyl-1,2,3,10-tetrahydropyrrolo[3,4-<i>a</i>]carbazole-1,3-dione Methanol Solvate
Acta Crystallographica Section ... | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,228 | 12.097 | 0.003 | 12.209 | 0.005 | 9.977 | 0.004 | 112.29 | 0.03 | 99.19 | 0.03 | 77.69 | 0.03 | 1,327 | 0.9 | 20 | null | 20 | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C25 H27 Cl Co N4 O8 Zn - | - C50 H54 Cl2 Co2 N8 O16 Zn2 - | - C50 H54 Cl2 Co2 N8 O16 Zn2 - | null | null | Satoru Kita; Hideki Furutachi; Hisashi Ōkawa | (μ-Phenoxo)2CoIIMII (M = Mn, Co, Zn) Complexes with a Co(salen) Entity in a Macrocyclic Framework: Core Structures and Neighboring MII Effects upon Oxygenation at the Co(salen) Center | Inorganic Chemistry | 1,999 | 38 | 4038 | 4045 | 10.1021/ic9809456 | 0.7107 | MoKalpha | null | 0.045 | null | null | 0.031 | null | null | null | null | 5.26 | 5.26 | null | null | null | has coordinates | Satoru Kita; Hideki Furutachi; Hisashi Ōkawa
(μ-Phenoxo)2CoIIMII (M = Mn, Co, Zn) Complexes with a Co(salen) Entity in a Macrocyclic Framework: Core Structures and Neighboring MII Effects upon Oxygenation at the Co(salen) Center
Inorganic Chemistry
38
(1999)
4038-4045 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
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2,004,915 | 22.028 | 0.002 | 11.698 | 0.001 | 7.0116 | 0.0003 | 90 | null | 90 | null | 90 | null | 1,806.8 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P c a 21 | P 2c -2ac | 29 | 2-Benzene-9-hydroxy-4-methyl-2H,4H-pyrrolo-[2,3-b]carbazole-1,3-dione | - C22 H18 N2 O4 - | - C22 H18 N2 O4 - | - C88 H72 N8 O16 - | 4 | 1 | NA1206 | Schollmeyer, D.; Fischer, G.; Pindur, U. | Pyrrolo-Annellated Carbazoles as Potential Antitumour-Active Compounds: Dimethyl 4-Methoxy-9-methyl-9<i>H</i>-carbazole-1,2-dicarboxylate and 5-Hydroxy-2-phenyl-10-methyl-1,2,3,10-tetrahydropyrrolo[3,4-<i>a</i>]carbazole-1,3-dione Methanol Solvate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1277 | 1280 | 10.1107/S010827019501609X | 1.5418 | CuKα | 0.098 | 0.0628 | null | 0.1852 | 0.1619 | null | null | null | 1.009 | 1.047 | 1.047 | null | null | null | has coordinates | Schollmeyer, D.; Fischer, G.; Pindur, U.
Pyrrolo-Annellated Carbazoles as Potential Antitumour-Active Compounds: Dimethyl 4-Methoxy-9-methyl-9<i>H</i>-carbazole-1,2-dicarboxylate and 5-Hydroxy-2-phenyl-10-methyl-1,2,3,10-tetrahydropyrrolo[3,4-<i>a</i>]carbazole-1,3-dione Methanol Solvate
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2,004,916 | 10.044 | 0.003 | 10.044 | 0.003 | 10.044 | 0.003 | 90 | null | 90 | null | 90 | null | 1,013.3 | 0.5 | 296 | null | 23 | null | null | null | null | null | 3 | F 2 2 2 | F 2 2 | 22 | - Re4 S4 Te4 - | - Re4 S4 Te4 - | - Re16 S16 Te16 - | 4 | 0.25 | OH1089 | Fedorov, V. E.; Mironov, Y. V.; Fedin, V. P.; Imoto, H.; Saito, T. | Re~4~S~4~Te~4~ | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1065 | 1067 | 10.1107/S0108270195016763 | 0.7107 | MoKα | null | 0.0286 | null | null | 0.0224 | null | null | null | null | 4.27 | 4.27 | null | null | null | has coordinates | Fedorov, V. E.; Mironov, Y. V.; Fedin, V. P.; Imoto, H.; Saito, T.
Re~4~S~4~Te~4~
Acta Crystallographica Section C
52(5)
(1996)
1065-1067 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,917 | 3.908 | 0.001 | 3.908 | 0.001 | 11.16 | 0.004 | 90 | null | 90 | null | 90 | null | 170.44 | 0.09 | 296 | null | null | null | null | null | null | null | 4 | P 4/m m m | -P 4 2 | 123 | - Cs La Nb2 O7 - | - Cs La Nb2 O7 - | - Cs La Nb2 O7 - | 1 | 0.0625 | OH1090 | Kumada, N.; Kinomura, N.; Sleight, A. W. | CsLaNb~2~O~7~ | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1063 | 1065 | 10.1107/S0108270195015848 | 0.71069 | MoKα | null | 0.026 | null | null | 0.031 | null | null | null | null | 1.79 | 1.79 | null | null | null | has coordinates | Kumada, N.; Kinomura, N.; Sleight, A. W.
CsLaNb~2~O~7~
Acta Crystallographica Section C
52(5)
(1996)
1063-1065 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,918 | 6.5901 | 0.0008 | 9.4434 | 0.0009 | 14.983 | 0.002 | 90 | null | 90 | null | 90 | null | 932.44 | 0.19 | 291 | null | null | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | - C5 H14 N2 O5 Pt - | - C5 H14 N2 O5 Pt - | - C20 H56 N8 O20 Pt4 - | 4 | 0.5 | PA1135 | Bréhin, P.; Chottard, J. C.; Kozelka, J.; Bois, C. | Diammine(dimethylmalonato)platinum(II) Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1186 | 1188 | 10.1107/S010827019501482X | 0.7107 | MoKα | null | 0.029 | null | null | 0.037 | null | null | null | null | 1.05 | 1.05 | null | null | null | has coordinates | Bréhin, P.; Chottard, J. C.; Kozelka, J.; Bois, C.
Diammine(dimethylmalonato)platinum(II) Monohydrate
Acta Crystallographica Section C
52(5)
(1996)
1186-1188 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,919 | 19.238 | 0.005 | 24.477 | 0.003 | 15.79 | 0.02 | 90 | null | 109.52 | 0.02 | 90 | null | 7,008 | 9 | 123 | 2 | 150 | 2 | null | null | null | null | 3 | C 1 2 1 | C 2y | 5 | β-Cyclodextrin-Z-9-dodecenol complex | cyclomaltoheptaose-Z-9-dodecen-1-ol complex | - C49 H104 O46 - | - C48.81 H52.43 O45.37 - | - C195.24 H209.72 O181.48 - | 4 | 1 | PA1191 | Mentzafos, D.; Mavridis, I. M.; Hursthouse, M. B. | β-Cyclodextrin (<i>Z</i>)-9-Dodecen-1-ol 2:1 Complex | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1220 | 1223 | 10.1107/S0108270195014703 | 0.071069 | MoKα | 0.0901 | 0.0679 | null | 0.2204 | 0.1842 | null | null | null | 0.596 | 0.732 | 0.732 | null | null | null | has coordinates | Mentzafos, D.; Mavridis, I. M.; Hursthouse, M. B.
β-Cyclodextrin (<i>Z</i>)-9-Dodecen-1-ol 2:1 Complex
Acta Crystallographica Section C
52(5)
(1996)
1220-1223 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,920 | 19.825 | 0.005 | 16.714 | 0.002 | 4.905 | 0.001 | 90 | null | 90 | null | 90 | null | 1,625.3 | 0.6 | 293 | null | 293 | null | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | 5,6-BENZO-4,7-DIOXA-1,10,14-TRIAZACYCLOHEPTADECANE-2,9-DIONE | - C16 H23 N3 O4 - | - C16 H23 N3 O4 - | - C64 H92 N12 O16 - | 4 | 0.5 | PA1212 | Structure-Based Rationalization of the Ionophore Character of Lead-Selective Amide‒Ether‒Amine-Containing Macrocycles: 2,3-Benzo-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione and 2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione‒Water (1/2) | Acta Crystallographica C | 1,996 | 52 | 1232 | 1236 | 10.1107/S0108270195015198 | 1.5418 | CuKα | 0.133 | 0.039 | null | 0.108 | 0.039 | null | null | null | 1.918 | 1.219 | 1.219 | null | null | null | has coordinates |
Structure-Based Rationalization of the Ionophore Character of Lead-Selective Amide‒Ether‒Amine-Containing Macrocycles: 2,3-Benzo-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione and 2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione‒Water (1/2)
Acta Crystallographica C
52
(1996)
1232-1236 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,227 | 10.166 | 0.005 | 11.934 | 0.003 | 27.38 | 0.006 | 90 | null | 93.97 | 0.03 | 90 | null | 3,314 | 2 | 23 | null | 23 | null | null | null | null | null | 8 | P 1 21/c 1 | -P 2ybc | 14 | - C29 H36 Co F6 Mn N5 O5 P - | - C116 H144 Co4 F32 Mn4 N20 O20 P4 - | - C116 H144 Co4 F32 Mn4 N20 O20 P4 - | null | null | Satoru Kita; Hideki Furutachi; Hisashi Ōkawa | (μ-Phenoxo)2CoIIMII (M = Mn, Co, Zn) Complexes with a Co(salen) Entity in a Macrocyclic Framework: Core Structures and Neighboring MII Effects upon Oxygenation at the Co(salen) Center | Inorganic Chemistry | 1,999 | 38 | 4038 | 4045 | 10.1021/ic9809456 | 0.7107 | MoKalpha | null | 0.048 | null | null | 0.034 | null | null | null | null | 2.64 | 2.64 | null | null | null | has coordinates | Satoru Kita; Hideki Furutachi; Hisashi Ōkawa
(μ-Phenoxo)2CoIIMII (M = Mn, Co, Zn) Complexes with a Co(salen) Entity in a Macrocyclic Framework: Core Structures and Neighboring MII Effects upon Oxygenation at the Co(salen) Center
Inorganic Chemistry
38
(1999)
4038-4045 | 189,896 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,921 | 7.3684 | 0.0009 | 22.641 | 0.003 | 10.479 | 0.002 | 90 | null | 110.44 | 0.01 | 90 | null | 1,638.1 | 0.4 | 293 | null | 293 | null | null | null | null | null | 4 | I 1 a 1 | I -2ya | 9 | Diaqua 5,6-benzo-4,7-dioxa-1,10,13-triazacyclopentadecane-2,9-dione | - C14 H23 N3 O6 - | - C14 H23 N3 O6 - | - C56 H92 N12 O24 - | 4 | 1 | PA1212 | Structure-Based Rationalization of the Ionophore Character of Lead-Selective Amide‒Ether‒Amine-Containing Macrocycles: 2,3-Benzo-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione and 2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione‒Water (1/2) | Acta Crystallographica C | 1,996 | 52 | 1232 | 1236 | 10.1107/S0108270195015198 | 1.5418 | CuKα | 0.05 | 0.041 | null | 0.052 | 0.045 | null | null | null | 1.191 | 1.128 | 1.128 | null | null | null | has coordinates |
Structure-Based Rationalization of the Ionophore Character of Lead-Selective Amide‒Ether‒Amine-Containing Macrocycles: 2,3-Benzo-1,4-dioxa-7,11,15-triazacycloheptadec-2-ene-6,16-dione and 2,3-Benzo-1,4-dioxa-7,10,13-triazacyclopentadec-2-ene-6,14-dione‒Water (1/2)
Acta Crystallographica C
52
(1996)
1232-1236 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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