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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,012,360 | 3.841 | 0.001 | 16.073 | 0.004 | 13.234 | 0.003 | 90 | null | 91.15 | 0.02 | 90 | null | 816.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2-(1H-Tetrazol-1-yl)benzoic acid | - C8 H6 N4 O2 - | - C8 H6 N4 O2 - | - C32 H24 N16 O8 - | 4 | 1 | AV1091 | Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Kulak, Alexander A.; Ivashkevich, Oleg A. | 2-(1<i>H</i>-Tetrazol-1-yl)benzoic acid | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1436 | 1437 | 10.1107/S0108270101016006 | 0.71069 | MoKα | 0.0474 | 0.0377 | null | null | 0.1029 | 0.1126 | null | null | null | null | null | 1.044 | null | null | has coordinates,has Fobs | Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.; Kulak, Alexander A.; Ivashkevich, Oleg A.
2-(1<i>H</i>-Tetrazol-1-yl)benzoic acid
Acta Crystallographica Section C
57(12)
(2001)
1436-1437 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,361 | 8.783 | 0.003 | 18.594 | 0.007 | 21.556 | 0.012 | 90 | null | 94.05 | 0.04 | 90 | null | 3,512 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Bis(2,2':6',2''-Terpyridine-N,N',N'')-manganese(ii) tetrathionate, trihydrate. | - C30 H28 Mn N6 O9 S4 - | - C30 H28 Mn N6 O9 S4 - | - C120 H112 Mn4 N24 O36 S16 - | 4 | 1 | BK1621 | Freire, Eleonora; Baggio, Sergio; Garland, Maria Teresa; Baggio, Ricardo | Bis(2,2':6',2''-terpyridine-κ^3^<i>N</i>)manganese(II) tetrathionate trihydrate | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1403 | 1404 | 10.1107/S0108270101016481 | 0.71073 | MoKα | 0.116 | 0.053 | null | null | 0.102 | 0.124 | null | null | null | null | null | 0.997 | null | null | has coordinates,has Fobs | Freire, Eleonora; Baggio, Sergio; Garland, Maria Teresa; Baggio, Ricardo
Bis(2,2':6',2''-terpyridine-κ^3^<i>N</i>)manganese(II) tetrathionate trihydrate
Acta Crystallographica Section C
57(12)
(2001)
1403-1404 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,362 | 7.5878 | 0.0007 | 4.1397 | 0.0004 | 6.0594 | 0.0006 | 90 | null | 101.529 | 0.011 | 90 | null | 186.49 | 0.03 | 293 | null | 295 | null | null | null | null | null | 4 | P 1 21/m 1 | -P 2yb | 11 | bismuth cadmium oxide chloride | Bismuth cadmium dioxide chloride | - Bi Cd Cl O2 - | - Bi Cd Cl O2 - | - Bi2 Cd2 Cl2 O4 - | 2 | 0.5 | BR1340 | Kirik, Sergei D.; Yakovleva, Ekaterina G.; Shimanskii, Aleksandr F.; Kovalev, Yurii G. | CdBiO~2~Cl: synthesis and powder structure solution | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1367 | 1368 | 10.1107/S0108270101014883 | 1.5418 | CuKα | null | null | null | null | null | null | null | null | 1.43 | null | null | null | null | null | has coordinates | Kirik, Sergei D.; Yakovleva, Ekaterina G.; Shimanskii, Aleksandr F.; Kovalev, Yurii G.
CdBiO~2~Cl: synthesis and powder structure solution
Acta Crystallographica Section C
57(12)
(2001)
1367-1368 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,012,363 | 21.104 | 0.002 | 14.486 | 0.002 | 18.962 | 0.002 | 90 | null | 116.408 | 0.007 | 90 | null | 5,192 | 1.1 | 298 | 2 | 298 | 2 | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | 15 | fac-Re(CO)~3~(dpknph)Cl.dmso | fac-Tricarbonylchloro(di-2-pyridylmethanone p-nitrophenylhydrazone)rhenium(I) dimethyl sulfoxide solvate | - C22 H19 Cl N5 O6 Re S - | - C22 H19 Cl N5 O6 Re S - | - C176 H152 Cl8 N40 O48 Re8 S8 - | 8 | 1 | DA1194 | Bakir, Mohammed | The optical sensor <i>fac</i>-tricarbonylchloro(di-2-pyridylmethanone <i>p</i>-nitrophenylhydrazone)rhenium(I) dimethyl sulfoxide solvate | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1371 | 1373 | 10.1107/S0108270101013890 | 0.71073 | MoKα | 0.0335 | 0.0266 | null | null | 0.0607 | 0.0641 | null | null | null | null | null | 1.081 | null | null | has coordinates,has disorder,has Fobs | Bakir, Mohammed
The optical sensor <i>fac</i>-tricarbonylchloro(di-2-pyridylmethanone <i>p</i>-nitrophenylhydrazone)rhenium(I) dimethyl sulfoxide solvate
Acta Crystallographica Section C
57(12)
(2001)
1371-1373 | 209,447 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-08-07 17:33:59 +0300 (Tue, 07 Aug 2018) $
#$Revision: 209447 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012363.cif $
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2,012,364 | 24 | 0.007 | 8.531 | 0.003 | 9.369 | 0.002 | 90 | null | 90 | null | 90 | null | 1,918.2 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P c a 21 | P 2c -2ac | 29 | Aquabis(3,5-dimethyl-1H-pyrazole-N^2^)(malonato-O,O')copper(II) dihydrate | - C13 H24 Cu N4 O7 - | - C13 H24 Cu N4 O7 - | - C52 H96 Cu4 N16 O28 - | 4 | 1 | DA1196 | Xiong, Ya; Tong, Mingliang; An, Taicheng; Karlsson, Hans T. | Aquabis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(malonato-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1385 | 1387 | 10.1107/S0108270101015116 | 0.71073 | MoKα | 0.111 | 0.059 | null | null | 0.134 | 0.157 | null | null | null | null | null | 1.03 | null | null | has coordinates,has Fobs | Xiong, Ya; Tong, Mingliang; An, Taicheng; Karlsson, Hans T.
Aquabis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(malonato-κ^2^<i>O</i>,<i>O</i>')copper(II) dihydrate
Acta Crystallographica Section C
57(12)
(2001)
1385-1387 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,365 | 14.164 | 0.002 | 12.034 | 0.002 | 27.648 | 0.003 | 90 | null | 90 | null | 90 | null | 4,712.6 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | Bis(benzenethiolato)(2,9-dimethyl-1,10-phenanthroline)cadmium(II) | - C26 H22 Cd N2 S2 - | - C26 H22 Cd N2 S2 - | - C208 H176 Cd8 N16 S16 - | 8 | 1 | DA1203 | Wacholtz, William F.; Mague, Joel T. | Bis(benzenethiolato-<i>S</i>)(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II) | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1400 | 1402 | 10.1107/S0108270101015906 | 0.71073 | MoKα | 0.1275 | 0.035 | null | null | 0.0839 | 0.1023 | null | null | null | null | null | 1.017 | null | null | has coordinates,has Fobs | Wacholtz, William F.; Mague, Joel T.
Bis(benzenethiolato-<i>S</i>)(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)
Acta Crystallographica Section C
57(12)
(2001)
1400-1402 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012365.cif $
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2,012,366 | 5.525 | 0.002 | 17.444 | 0.003 | 8.194 | 0.002 | 90 | null | 107.1 | 0.02 | 90 | null | 754.8 | 0.4 | 293 | 2 | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C16 H18 N4 - | - C16 H18 N4 - | - C32 H36 N8 - | 2 | 0.5 | DA1209 | Bayse, Craig A.; Carpenter, Barry K.; Luck, Rudy L. | <i>meso</i>-1,2-Bis(methylazo)-1,2-diphenylethane | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1429 | 1430 | 10.1107/S0108270101015918 | 0.71069 | MoKα | null | 0.056 | null | null | null | 0.17 | null | null | null | null | null | 1.012 | null | null | has coordinates,has disorder,has Fobs | Bayse, Craig A.; Carpenter, Barry K.; Luck, Rudy L.
<i>meso</i>-1,2-Bis(methylazo)-1,2-diphenylethane
Acta Crystallographica Section C
57(12)
(2001)
1429-1430 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,367 | 11.1238 | 0.0003 | 9.8718 | 0.0003 | 7.1988 | 0.0002 | 90 | null | 119.071 | 0.002 | 90 | null | 690.92 | 0.04 | 120 | null | 120 | null | null | null | null | null | 4 | C 1 c 1 | C -2yc | 9 | 4-formylphenylboronic acid | - C7 H7 B O3 - | - C7 H7 B O3 - | - C28 H28 B4 O12 - | 4 | 1 | DA1214 | Fronczek, Frank R.; St. Luce, Nadia N.; Strongin, Robert M. | Space-group revision for 4-formylphenylboronic acid | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1423 | 1425 | 10.1107/S0108270101015621 | 0.71073 | MoKα | 0.043 | 0.038 | null | null | 0.099 | 0.104 | null | null | null | null | null | 1.073 | null | null | has coordinates,has Fobs | Fronczek, Frank R.; St. Luce, Nadia N.; Strongin, Robert M.
Space-group revision for 4-formylphenylboronic acid
Acta Crystallographica Section C
57(12)
(2001)
1423-1425 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012367.cif $
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2,012,368 | 19.967 | 0.002 | 7.5484 | 0.0009 | 9.1666 | 0.0013 | 90 | null | 102.967 | 0.011 | 90 | null | 1,346.3 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 8,9-Dimethoxy-6,10b-dihydro-1-oxo-5H-thiazolo[2,3-a]isoquinolin-3-one | - C13 H15 N O4 S - | - C13 H15 N O4 S - | - C52 H60 N4 O16 S4 - | 4 | 1 | Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka | Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides | Acta Crystallographica, Section C | 2,001 | 57 | 12 | 1454 | 1456 | 10.1107/S0108270101016638 | 1.54178 | CuKα | 0.0641 | 0.0499 | null | null | 0.1464 | 0.1583 | null | null | null | null | null | 1.044 | null | null | has coordinates | Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka
Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides
Acta Crystallographica, Section C
57(12)
(2001)
1454-1456 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,369 | 15.9407 | 0.0015 | 9.1737 | 0.001 | 19.015 | 0.002 | 90 | null | 90 | null | 90 | null | 2,780.7 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C14 H17 N O4 S - | - C14 H17 N O4 S - | - C112 H136 N8 O32 S8 - | 8 | 1 | Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka | Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides | Acta Crystallographica, Section C | 2,001 | 57 | 1454 | 1456 | 10.1107/S0108270101016638 | null | null | null | null | null | null | null | null | null | null | null | null | null | 1,200,001 | null | has coordinates | Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka
Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides
Acta Crystallographica, Section C
57
(2001)
1454-1456 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
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2,012,370 | 11.0726 | 0.0006 | 20.509 | 0.001 | 13.9311 | 0.0008 | 90 | null | 112.02 | 0.001 | 90 | null | 2,932.8 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | {N-[Dimethyl(η^5^-1,2,5,7-tetramethylindenyl)silyl]cyclobutylamido-κN}- (η^4^-1,4-diphenyl-1,3-butadiene)titanium(II) | - C35 H41 N Si Ti - | - C35 H41 N Si Ti - | - C140 H164 N4 Si4 Ti4 - | 4 | 1 | FR1316 | Abboud, Khalil A.; Nickias, Peter N.; Chen, Eugene Y.-X. | {<i>N</i>-[Dimethyl(η^5^-2,3,4,6-tetramethylindenyl)silyl]cyclobutylamido-κ<i>N</i>}(η^4^-1,4-diphenyl-1,3-butadiene)titanium(II) | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1408 | 1409 | 10.1107/S010827010101592X | 0.71073 | MoKα | 0.0937 | 0.0438 | null | null | 0.0905 | 0.1032 | null | null | null | null | null | 0.955 | null | null | has coordinates,has Fobs | Abboud, Khalil A.; Nickias, Peter N.; Chen, Eugene Y.-X.
{<i>N</i>-[Dimethyl(η^5^-2,3,4,6-tetramethylindenyl)silyl]cyclobutylamido-κ<i>N</i>}(η^4^-1,4-diphenyl-1,3-butadiene)titanium(II)
Acta Crystallographica Section C
57(12)
(2001)
1408-1409 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012370.cif $
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2,012,371 | 10.411 | 0.002 | 23.586 | 0.006 | 12.482 | 0.003 | 90 | null | 107.71 | 0.02 | 90 | null | 2,919.7 | 1.2 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | meso-octamethylcalix[4]pyrrole dimethyl sulfoxide solvate | - C30 H42 N4 O S - | - C30 H42 N4 O S - | - C120 H168 N16 O4 S4 - | 4 | 1 | FR1336 | Lynch, Vincent M.; Gale, Philip A.; Sessler, Jonathan L.; Madeiros, David | Room-temperature monoclinic and low-temperature triclinic phase-transition structures of <i>meso</i>-octamethylcalix[4]pyrrole‒dimethyl sulfoxide (1/1) | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1426 | 1428 | 10.1107/S0108270101015931 | 0.71073 | MoKα | 0.2078 | 0.0707 | null | null | 0.1103 | 0.1522 | null | null | null | null | null | 0.969 | null | null | has coordinates,has disorder | Lynch, Vincent M.; Gale, Philip A.; Sessler, Jonathan L.; Madeiros, David
Room-temperature monoclinic and low-temperature triclinic phase-transition structures of <i>meso</i>-octamethylcalix[4]pyrrole‒dimethyl sulfoxide (1/1)
Acta Crystallographica Section C
57(12)
(2001)
1426-1428 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,012,372 | 10.362 | 0.003 | 23.468 | 0.01 | 12.373 | 0.007 | 90.23 | 0.04 | 107.64 | 0.04 | 88.35 | 0.03 | 2,866 | 2 | 198 | 2 | 298 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | meso-octamethylcalix[4]pyrrole - dimethyl sulfoxied solvate | - C30 H42 N4 O S - | - C30 H42 N4 O S - | - C120 H168 N16 O4 S4 - | 4 | 2 | FR1336 | Lynch, Vincent M.; Gale, Philip A.; Sessler, Jonathan L.; Madeiros, David | Room-temperature monoclinic and low-temperature triclinic phase-transition structures of <i>meso</i>-octamethylcalix[4]pyrrole‒dimethyl sulfoxide (1/1) | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1426 | 1428 | 10.1107/S0108270101015931 | 0.71073 | MoKα | 0.1726 | 0.0808 | null | 0.2122 | null | 0.1548 | null | null | 1.028 | null | null | 1.106 | null | null | has coordinates,has disorder | Lynch, Vincent M.; Gale, Philip A.; Sessler, Jonathan L.; Madeiros, David
Room-temperature monoclinic and low-temperature triclinic phase-transition structures of <i>meso</i>-octamethylcalix[4]pyrrole‒dimethyl sulfoxide (1/1)
Acta Crystallographica Section C
57(12)
(2001)
1426-1428 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012372.cif $
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2,012,373 | 8.566 | 0.002 | 13.611 | 0.003 | 12.633 | 0.003 | 90 | null | 108.54 | 0.02 | 90 | null | 1,396.5 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Dichloro[1,5-bis(1-methyl-1H-tetrazol-5-yl-N)-3-oxopentane-O]copper(II) | - C8 H14 Cl2 Cu N8 O - | - C8 H14 Cl2 Cu N8 O - | - C32 H56 Cl8 Cu4 N32 O4 - | 4 | 1 | FR1343 | Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Dmitry O.; Pytleva, Dariya S.; Ivashkevich, Ludmila S. | [1,5-Bis(1-methyl-1<i>H</i>-tetrazol-5-yl-κ<i>N</i>)-3-oxopentane-κ<i>O</i>]dichlorocopper(II) | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1374 | 1375 | 10.1107/S0108270101014640 | 0.71069 | MoKα | 0.04 | 0.033 | null | null | 0.088 | 0.092 | null | null | null | null | null | 1.06 | null | null | has coordinates,has Fobs | Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Dmitry O.; Pytleva, Dariya S.; Ivashkevich, Ludmila S.
[1,5-Bis(1-methyl-1<i>H</i>-tetrazol-5-yl-κ<i>N</i>)-3-oxopentane-κ<i>O</i>]dichlorocopper(II)
Acta Crystallographica Section C
57(12)
(2001)
1374-1375 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012373.cif $
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2,012,374 | 18.8435 | 0.0017 | 6.2038 | 0.0006 | 13.4129 | 0.0012 | 90 | null | 105.534 | 0.002 | 90 | null | 1,510.7 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | catena-Poly[[aquachlorocopper(II)]-μ-pyrazine-2-carboxylato-O,N^1^:N^4^] | - C5 H5 Cl Cu N2 O3 - | - C5 H5 Cl Cu N2 O3 - | - C40 H40 Cl8 Cu8 N16 O24 - | 8 | 1 | FR1345 | Nordell, Karen J.; Kass, Dana S.; Smith, Mark D. | A new packing variant of <i>catena</i>-poly[[aquachlorocopper(II)]-μ-pyrazine-2-carboxylato-<i>O</i>,<i>N</i>:<i>N</i>'] | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1376 | 1377 | 10.1107/S0108270101014639 | 0.71073 | MoKα | 0.029 | 0.025 | null | null | 0.062 | 0.063 | null | null | null | null | null | 1.003 | null | null | has coordinates,has Fobs | Nordell, Karen J.; Kass, Dana S.; Smith, Mark D.
A new packing variant of <i>catena</i>-poly[[aquachlorocopper(II)]-μ-pyrazine-2-carboxylato-<i>O</i>,<i>N</i>:<i>N</i>']
Acta Crystallographica Section C
57(12)
(2001)
1376-1377 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012374.cif $
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2,012,375 | 13.478 | 0.002 | 14.3841 | 0.0018 | 21.381 | 0.002 | 97.144 | 0.01 | 97.854 | 0.01 | 103.405 | 0.011 | 3,941.6 | 0.9 | 100 | null | 100 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | tetrabenzo-24-crown-8 tris(1,2-dichloroethane) | 2,5,12,15,22,25,32,35-Octaoxopentacyclo[34.4.0.0^6,11^. 0^16,21^.0^26,31^]tetraconta-6,8,10,16,18,20,26,28,30,36,38,40-dodecaene tris(1,2-dichloroethane) solvate | - C38 H44 Cl6 O8 - | - C38 H44 Cl6 O8 - | - C152 H176 Cl24 O32 - | 4 | 2 | FR1347 | Bryan, Jeffrey C.; Levitskaia, Tatiana G. | Tetrabenzo-24-crown-8 tris(1,2-dichloroethane) solvate | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1457 | 1459 | 10.1107/S0108270101014627 | 0.71073 | MoKα | 0.078 | 0.044 | null | null | 0.107 | 0.12 | null | null | null | null | null | 1.026 | null | null | has coordinates,has Fobs | Bryan, Jeffrey C.; Levitskaia, Tatiana G.
Tetrabenzo-24-crown-8 tris(1,2-dichloroethane) solvate
Acta Crystallographica Section C
57(12)
(2001)
1457-1459 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012375.cif $
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2,012,376 | 5.429 | 0.003 | 12.005 | 0.007 | 14.57 | 0.008 | 87.05 | 0.02 | 88.96 | 0.02 | 79.39 | 0.02 | 932.1 | 0.9 | 260 | 2 | 260 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | (±)-3-Oxocyclohexanepropionic acid | (±)-3-(3-Oxocyclohexyl)propionic acid | - C9 H14 O3 - | - C9 H14 O3 - | - C36 H56 O12 - | 4 | 2 | FR1348 | Lalancette, Roger A.; Thompson, Hugh W. | (±)-3-(3-Oxocyclohexyl)propionic acid: dual conformational selection and hydrogen bonding in an ε-keto acid | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1434 | 1435 | 10.1107/S0108270101015943 | 0.71073 | MoKα | 0.109 | 0.063 | null | null | 0.149 | 0.175 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Lalancette, Roger A.; Thompson, Hugh W.
(±)-3-(3-Oxocyclohexyl)propionic acid: dual conformational selection and hydrogen bonding in an ε-keto acid
Acta Crystallographica Section C
57(12)
(2001)
1434-1435 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,377 | 8.416 | 0.0003 | 12.3127 | 0.0005 | 14.7039 | 0.0004 | 90 | null | 90 | null | 90 | null | 1,523.67 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2,3,5,6,7,8-Hexahydro-6,8-methano-7,7,8a-trimethyl-3-(1-methyl-2- oxopropylidene)-5H-1,4-benzoxazin-2-one | - C16 H21 N O3 - | - C16 H21 N O3 - | - C64 H84 N4 O12 - | 4 | 1 | GD1165 | Rolland, Marc; Kassem, Tarek; Rolland, Valérie; Martinez, Jean | Full stereochemical understanding in a new (2<i>R</i>,3<i>R</i>,4<i>R</i>)-4-hydroxyisoleucine synthesis | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1415 | 1417 | 10.1107/S0108270101014597 | 0.71073 | MoKα | 0.041 | 0.038 | null | null | 0.098 | 0.1 | null | null | null | null | null | 1.058 | null | null | has coordinates,has Fobs | Rolland, Marc; Kassem, Tarek; Rolland, Valérie; Martinez, Jean
Full stereochemical understanding in a new (2<i>R</i>,3<i>R</i>,4<i>R</i>)-4-hydroxyisoleucine synthesis
Acta Crystallographica Section C
57(12)
(2001)
1415-1417 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012377.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,378 | 10.2905 | 0.0003 | 11.8864 | 0.0005 | 12.8317 | 0.0005 | 90 | null | 90 | null | 90 | null | 1,569.54 | 0.1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2,3,5,6,7,8-Hexahydro-3-(2-hydroxy-1-methylpropyl)-6,8-methano-7,7,8a- trimethyl-5H-1,4-benzoxazin-2-one | - C16 H25 N O3 - | - C16 H25 N O3 - | - C64 H100 N4 O12 - | 4 | 1 | GD1165 | Rolland, Marc; Kassem, Tarek; Rolland, Valérie; Martinez, Jean | Full stereochemical understanding in a new (2<i>R</i>,3<i>R</i>,4<i>R</i>)-4-hydroxyisoleucine synthesis | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1415 | 1417 | 10.1107/S0108270101014597 | 0.71073 | MoKα | 0.041 | 0.038 | null | null | 0.098 | 0.1 | null | null | null | null | null | 1.058 | null | null | has coordinates,has Fobs | Rolland, Marc; Kassem, Tarek; Rolland, Valérie; Martinez, Jean
Full stereochemical understanding in a new (2<i>R</i>,3<i>R</i>,4<i>R</i>)-4-hydroxyisoleucine synthesis
Acta Crystallographica Section C
57(12)
(2001)
1415-1417 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012378.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,379 | 14.977 | 0.002 | 19.832 | 0.007 | 11.326 | 0.002 | 90 | null | 90 | null | 90 | null | 3,364.1 | 1.4 | 173 | 1 | 173 | 1 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | ethyl 2-deoxy-4,5,6,8-tetra-O-benzyl-α-D-galacto-3,7-pyranoso-3-octulosonate | - C38 H42 O8 - | - C38 H42 O8 - | - C152 H168 O32 - | 4 | 1 | GG1083 | Linden, Anthony; Li, Xianfeng; Lee, C. Kuan | Two ethyl 2-deoxy-α-<small>D</small>-hexo-3,7-pyranoso-3-octulosonate derivatives | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1418 | 1420 | 10.1107/S0108270101014974 | 0.71069 | MoKα | 0.075 | 0.042 | null | null | 0.093 | 0.103 | null | null | null | null | null | 1.03 | null | null | has coordinates,has Fobs | Linden, Anthony; Li, Xianfeng; Lee, C. Kuan
Two ethyl 2-deoxy-α-<small>D</small>-hexo-3,7-pyranoso-3-octulosonate derivatives
Acta Crystallographica Section C
57(12)
(2001)
1418-1420 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012379.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,380 | 9.3164 | 0.0015 | 13.038 | 0.002 | 9.313 | 0.0015 | 90 | null | 106.224 | 0.012 | 90 | null | 1,086.2 | 0.3 | 173 | 1 | 173 | 1 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | ethyl 2-deoxy-4,5,6,8-tetra-O-acetyl-α-D-gluco-3,7-pyranoso-3-octulosonate | - C18 H26 O12 - | - C18 H26 O12 - | - C36 H52 O24 - | 2 | 1 | GG1083 | Linden, Anthony; Li, Xianfeng; Lee, C. Kuan | Two ethyl 2-deoxy-α-<small>D</small>-hexo-3,7-pyranoso-3-octulosonate derivatives | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1418 | 1420 | 10.1107/S0108270101014974 | 0.71073 | MoKα | 0.053 | 0.038 | null | null | 0.099 | 0.106 | null | null | null | null | null | 1.028 | null | null | has coordinates,has Fobs | Linden, Anthony; Li, Xianfeng; Lee, C. Kuan
Two ethyl 2-deoxy-α-<small>D</small>-hexo-3,7-pyranoso-3-octulosonate derivatives
Acta Crystallographica Section C
57(12)
(2001)
1418-1420 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012380.cif $
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2,012,381 | 12.106 | 0.002 | 7.708 | 0.002 | 15.776 | 0.002 | 90 | null | 93.997 | 0.01 | 90 | null | 1,468.5 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | 4,4,6,6-Tetrachloro-2,2-(2,2-dimethylpropane-1,3-diyldioxy)- 1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine | - C5 H10 Cl4 N3 O2 P3 - | - C5 H10 Cl4 N3 O2 P3 - | - C20 H40 Cl16 N12 O8 P12 - | 4 | 1 | GG1084 | Kumar, N. Satish; Kumara Swamy, K. C. | 4,4,6,6-Tetrachloro-2,2-(2,2-dimethylpropane-1,3-diyldioxy)-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1421 | 1422 | 10.1107/S0108270101015359 | 0.71073 | MoKα | 0.036 | 0.029 | null | null | 0.077 | 0.083 | null | null | null | null | null | 1.071 | null | null | has coordinates,has Fobs | Kumar, N. Satish; Kumara Swamy, K. C.
4,4,6,6-Tetrachloro-2,2-(2,2-dimethylpropane-1,3-diyldioxy)-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine
Acta Crystallographica Section C
57(12)
(2001)
1421-1422 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012381.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,382 | 11.653 | 0.002 | 7.3533 | 0.0012 | 13.443 | 0.002 | 90 | null | 106.19 | 0.012 | 90 | null | 1,106.2 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Catena-poly[[(acetonitrile-N)dichlorocopper(II)]-μ-2,5-dimethylpyrazine-N:N'] | - C8 H11 Cl2 Cu N3 - | - C8 H11 Cl2 Cu N3 - | - C32 H44 Cl8 Cu4 N12 - | 4 | 1 | JZ1473 | Näther, Christian; Greve, Jan | <i>catena</i>-Poly[[(acetonitrile-<i>N</i>)dichlorocopper(II)]-μ-2,5-dimethylpyrazine-κ^2^<i>N</i>:<i>N</i>'] | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1388 | 1390 | 10.1107/S0108270101015384 | 0.71073 | MoKα | 0.075 | 0.029 | null | null | 0.065 | 0.073 | null | null | null | null | null | 0.996 | null | null | has coordinates,has Fobs | Näther, Christian; Greve, Jan
<i>catena</i>-Poly[[(acetonitrile-<i>N</i>)dichlorocopper(II)]-μ-2,5-dimethylpyrazine-κ^2^<i>N</i>:<i>N</i>']
Acta Crystallographica Section C
57(12)
(2001)
1388-1390 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012382.cif $
#-------------------------------------------------------------------... | ||||||||||
2,012,383 | 13.566 | 0.009 | 9.617 | 0.002 | 22.025 | 0.011 | 90 | null | 101.73 | 0.04 | 90 | null | 2,813 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 4-ammonio-2,2,6,6-tétraméthylpipéridinium chromate dihydrate | - C9 H26 Cr N2 O6 - | - C9 H26 Cr N2 O6 - | - C72 H208 Cr8 N16 O48 - | 8 | 1 | LN1120 | Chebbi, Hammouda; Driss, Ahmed | 4-Ammonio-2,2,6,6-tétraméthylpipéridinium chromate dihydrate | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1369 | 1370 | 10.1107/S0108270101008447 | 0.71069 | MoKα | 0.064 | 0.044 | null | null | 0.119 | 0.132 | null | null | null | null | null | 1.045 | null | null | has coordinates,has Fobs | Chebbi, Hammouda; Driss, Ahmed
4-Ammonio-2,2,6,6-tétraméthylpipéridinium chromate dihydrate
Acta Crystallographica Section C
57(12)
(2001)
1369-1370 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012383.cif $
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2,012,384 | 8.0395 | 0.0003 | 16.7881 | 0.0005 | 14.8438 | 0.0005 | 90 | null | 96.954 | 0.001 | 90 | null | 1,988.7 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 3-[Benzoyl(4-methoxyphenyl)methylene]-2,3-dihydro-1H-indol-2-one | - C25 H19 N O4 - | - C25 H19 N O4 - | - C100 H76 N4 O16 - | 4 | 1 | LN1121 | Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu | 1-Acetyl-3-[benzoyl(4-methoxyphenyl)methylene]-2,3-dihydro-1<i>H</i>-indol-2-one | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1438 | 1440 | 10.1107/S0108270101016304 | 0.71073 | MoKα | 0.1123 | 0.0519 | null | null | 0.1133 | 0.1351 | null | null | null | null | null | 0.914 | null | null | has coordinates,has Fobs | Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu
1-Acetyl-3-[benzoyl(4-methoxyphenyl)methylene]-2,3-dihydro-1<i>H</i>-indol-2-one
Acta Crystallographica Section C
57(12)
(2001)
1438-1440 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012384.cif $
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2,012,385 | 7.1796 | 0.0018 | 23.238 | 0.003 | 6.5358 | 0.0016 | 90 | null | 113.069 | 0.018 | 90 | null | 1,003.2 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Poly[[aquacopper(I)-μ-bromo]-μ-(5-methylpyrazine-2-carboxylato)-N^4^:O,N^1^- [diaquacopper(II)]-μ-(5-methylpyrazine-2-carboxylato)-O,N^1^:N^4^- [aquacopper(I)]-μ-bromo] | - C12 H18 Br2 Cu3 N4 O8 - | - C12 H18 Br2 Cu3 N4 O8 - | - C24 H36 Br4 Cu6 N8 O16 - | 2 | 0.5 | LN1122 | Näther, Christian; Wriedt, Mario; Jeß, Inke | Poly[[aquacopper(I)-μ-bromo]-μ-(5-methylpyrazine-2-carboxylato)-κ^3^<i>N</i>^4^:<i>O</i>,<i>N</i>^1^-[diaquacopper(II)]-μ-(5-methylpyrazine-2-carboxylato)-κ^3^<i>O</i>,<i>N</i>^1^:<i>N</i>^4^-[aquacopper(I)-μ-bromo]] | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1395 | 1397 | 10.1107/S0108270101016250 | 0.71073 | MoKα | 0.0517 | 0.026 | null | null | 0.059 | 0.0637 | null | null | null | null | null | 1.023 | null | null | has coordinates | Näther, Christian; Wriedt, Mario; Jeß, Inke
Poly[[aquacopper(I)-μ-bromo]-μ-(5-methylpyrazine-2-carboxylato)-κ^3^<i>N</i>^4^:<i>O</i>,<i>N</i>^1^-[diaquacopper(II)]-μ-(5-methylpyrazine-2-carboxylato)-κ^3^<i>O</i>,<i>N</i>^1^:<i>N</i>^4^-[aquacopper(I)-μ-bromo]]
Acta Crystallographica Section C
57(12)
(2001)
1395-1397 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012385.cif $
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2,012,386 | 7.449 | 0.001 | 8.941 | 0.003 | 11.984 | 0.002 | 90 | null | 91.68 | 0.01 | 90 | null | 797.8 | 0.3 | 296.2 | null | null | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C4 H18 Cl4 N2 O2 Pd2 S2 - | - C4 H14 Cl4 N2 O2 Pd2 S2 - | - C8 H28 Cl8 N4 O4 Pd4 S4 - | 2 | 0.5 | OA1118 | Miyashita, Yoshitaro; Arai, Satoshi; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi | <i>anti</i>-Bis(μ-2-ammonioethanethiolato-κ^2^<i>S</i>:<i>S</i>)bis[dichloropalladium(II)] dihydrate | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1393 | 1394 | 10.1107/S0108270101015736 | 0.7107 | MoKα | null | 0.0437 | null | null | null | 0.1082 | null | null | null | null | null | 0.969 | null | null | has coordinates,has Fobs | Miyashita, Yoshitaro; Arai, Satoshi; Yamada, Yasunori; Fujisawa, Kiyoshi; Okamoto, Ken-ichi
<i>anti</i>-Bis(μ-2-ammonioethanethiolato-κ^2^<i>S</i>:<i>S</i>)bis[dichloropalladium(II)] dihydrate
Acta Crystallographica Section C
57(12)
(2001)
1393-1394 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012386.cif $
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2,012,387 | 10.304 | 0.002 | 19.557 | 0.006 | 6.4387 | 0.0013 | 90 | null | 90 | null | 90 | null | 1,297.5 | 0.5 | 298 | null | 298 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C11 H13 Cl N2 O5 - | - C11 H13 Cl N2 O5 - | - C44 H52 Cl4 N8 O20 - | 4 | 1 | OB1046 | Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo | Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1450 | 1453 | 10.1107/S0108270101016389 | 0.71073 | MoKα | 0.14 | 0.053 | null | null | 0.062 | 0.075 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo
Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate
Acta Crystallographica Section C
57(12)
(2001)
1450-1453 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/23/2012387.cif $
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2,012,388 | 18.68 | 0.006 | 10.498 | 0.003 | 13.125 | 0.003 | 90 | null | 93.35 | 0.02 | 90 | null | 2,569.4 | 1.3 | 298 | null | 298 | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C11 H13 Cl N2 O5 - | - C11 H13 Cl N2 O5 - | - C88 H104 Cl8 N16 O40 - | 8 | 1 | OB1046 | Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo | Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1450 | 1453 | 10.1107/S0108270101016389 | 0.71073 | MoKα | 0.111 | 0.046 | null | null | 0.101 | 0.121 | null | null | null | null | null | 1 | null | null | has coordinates,has Fobs | Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo
Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate
Acta Crystallographica Section C
57(12)
(2001)
1450-1453 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,012,389 | 19.76 | 0.02 | 10.085 | 0.007 | 13.639 | 0.005 | 90 | null | 109.09 | 0.04 | 90 | null | 2,569 | 3 | 296 | null | 296 | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C11 H13 Cl N2 O5 - | - C11 H13 Cl N2 O5 - | - C88 H104 Cl8 N16 O40 - | 8 | 1 | OB1046 | Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo | Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1450 | 1453 | 10.1107/S0108270101016389 | 0.71073 | MoKα | 0.098 | 0.047 | null | null | 0.098 | 0.116 | null | null | null | null | null | 1.03 | null | null | has coordinates,has Fobs | Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo
Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate
Acta Crystallographica Section C
57(12)
(2001)
1450-1453 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
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2,012,390 | 6.4233 | 0.0009 | 9.0728 | 0.0018 | 20.265 | 0.003 | 90 | null | 95.7 | 0.011 | 90 | null | 1,175.2 | 0.3 | 122 | null | 122 | 0.5 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | (2-Pyridylmethyl)ammonium pyridine-2-carboxylate | - C12 H13 N3 O2 - | - C12 H13 N3 O2 - | - C48 H52 N12 O8 - | 4 | 1 | OS1143 | Døssing, Anders; Skands, Martin C.; Madsen, Anders Østergaard | (2-Pyridylmethyl)ammonium pyridine-2-carboxylate: the product of oxidative degradation of bis(2-pyridylmethyl)amine | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1460 | 1461 | 10.1107/S0108270101015426 | 1.5418 | CuKα | 0.038 | 0.033 | null | null | 0.113 | 0.119 | null | null | null | null | null | 1.003 | null | null | has coordinates | Døssing, Anders; Skands, Martin C.; Madsen, Anders Østergaard
(2-Pyridylmethyl)ammonium pyridine-2-carboxylate: the product of oxidative degradation of bis(2-pyridylmethyl)amine
Acta Crystallographica Section C
57(12)
(2001)
1460-1461 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,391 | 7.861 | 0.0005 | 6.598 | 0.0004 | 14.4339 | 0.0009 | 90 | null | 94.915 | 0.001 | 90 | null | 745.89 | 0.08 | 300 | 2 | 300 | 2 | null | null | null | null | 4 | P 1 21/m 1 | -P 2yb | 11 | 3,5,7-triaza-1-azoniatricyclo[3.3.1.1^3,7^]decane 2,4-dinitrophenolate monohydrate | - C12 H18 N6 O6 - | - C12 H18 N6 O6 - | - C24 H36 N12 O12 - | 2 | 0.5 | SK1495 | Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun | The 143 and 300K polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1443 | 1446 | 10.1107/S0108270101016742 | 0.71073 | MoKα | 0.0743 | 0.0589 | null | null | 0.1374 | 0.1437 | null | null | null | null | null | 0.948 | null | null | has coordinates,has Fobs | Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun
The 143 and 300K polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate
Acta Crystallographica Section C
57(12)
(2001)
1443-1446 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,392 | 6.3877 | 0.0004 | 7.9017 | 0.0005 | 14.4042 | 0.0009 | 84.412 | 0.001 | 86.367 | 0.001 | 89.304 | 0.001 | 722.11 | 0.08 | 143 | 2 | 143 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Hexamethylenetetramine-2,4-dinitrophenol Hydrate | - C12 H18 N6 O6 - | - C12 H18 N6 O6 - | - C24 H36 N12 O12 - | 2 | 1 | SK1495 | Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun | The 143 and 300K polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1443 | 1446 | 10.1107/S0108270101016742 | 0.71073 | MoKα | 0.1015 | 0.0865 | null | null | 0.1971 | 0.2059 | null | null | null | null | null | 0.956 | null | null | has coordinates,has Fobs | Anwar Usman; Suchada Chantrapromma; Hoong-Kun Fun
The 143 and 300K polymorphs of hexamethylenetetraminium 2,4-dinitrophenolate monohydrate
Acta Crystallographica Section C
57(12)
(2001)
1443-1446 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,393 | 6.446 | 0.001 | 10.457 | 0.002 | 12.363 | 0.002 | 104.28 | 0.03 | 92.16 | 0.03 | 103.81 | 0.03 | 780.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | melaminium sulfate dihydrate | Bis(2,4,6-triamino-1,3,5-triazine-1-ium) sulfate dihydrate | - C6 H18 N12 O6 S - | - C6 H18 N12 O6 S - | - C12 H36 N24 O12 S2 - | 2 | 1 | SK1499 | Janczak, Jan; Perpétuo, Genivaldo Julio | Bis(melaminium) sulfate dihydrate | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1431 | 1433 | 10.1107/S0108270101016031 | 0.71073 | MoKα | 0.1037 | 0.0337 | null | null | 0.0314 | 0.0384 | null | null | null | null | null | 0.994 | null | null | has coordinates,has Fobs | Janczak, Jan; Perpétuo, Genivaldo Julio
Bis(melaminium) sulfate dihydrate
Acta Crystallographica Section C
57(12)
(2001)
1431-1433 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,394 | 8.0566 | 0.0016 | 17.754 | 0.004 | 13.083 | 0.003 | 90 | null | 94.2 | 0.03 | 90 | null | 1,866.4 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | cis-dichlorobis(triethylarsine)platinum(II) | - C12 H30 As2 Cl2 Pt - | - C12 H30 As2 Cl2 Pt - | - C48 H120 As8 Cl8 Pt4 - | 4 | 1 | Otto, Stefanus; Muller, Alfred Johannes | cis-Dichlorobis(triethylarsine)platinum(II) and cis-dichlorobis(triethylphosphine)platinum(II) | Acta Crystallographica, Section C: Crystal Structure Communications | 2,001 | 57 | 12 | 1405 | 1407 | 10.1107/S0108270101016043 | 0.71073 | MoKα | 0.0584 | 0.0343 | null | null | 0.0661 | 0.072 | null | null | null | null | null | 0.93 | null | null | has coordinates | Otto, Stefanus; Muller, Alfred Johannes
cis-Dichlorobis(triethylarsine)platinum(II) and cis-dichlorobis(triethylphosphine)platinum(II)
Acta Crystallographica, Section C: Crystal Structure Communications
57(12)
(2001)
1405-1407 | 209,639 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-08-13 01:26:53 +0300 (Mon, 13 Aug 2018) $
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2,012,395 | 19.773 | 0.004 | 7.531 | 0.0015 | 13.726 | 0.003 | 90 | null | 117.31 | 0.03 | 90 | null | 1,816.1 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 c 1 | C -2yc | 9 | cis-dichlorobis(triethylphosphine)platinum(II) | - C12 H30 Cl2 P2 Pt - | - C12 H30 Cl2 P2 Pt - | - C48 H120 Cl8 P8 Pt4 - | 4 | 1 | Otto, Stefanus; Muller, Alfred Johannes | cis-Dichlorobis(triethylarsine)platinum(II) and cis-dichlorobis(triethylphosphine)platinum(II) | Acta Crystallographica, Section C: Crystal Structure Communications | 2,001 | 57 | 12 | 1405 | 1407 | 10.1107/S0108270101016043 | 0.71073 | MoKα | 0.0363 | 0.0341 | null | null | 0.0906 | 0.0921 | null | null | null | null | null | 1.02 | null | null | has coordinates | Otto, Stefanus; Muller, Alfred Johannes
cis-Dichlorobis(triethylarsine)platinum(II) and cis-dichlorobis(triethylphosphine)platinum(II)
Acta Crystallographica, Section C: Crystal Structure Communications
57(12)
(2001)
1405-1407 | 209,639 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-08-13 01:26:53 +0300 (Mon, 13 Aug 2018) $
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2,012,396 | 12.4326 | 0.001 | 9.5414 | 0.0007 | 17.1682 | 0.0008 | 90 | null | 97.4 | 0.005 | 90 | null | 2,019.6 | 0.2 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 1-Ferrocenylmethyl-2-(4-methoxyphenyl)-1H-benzimidazole | - C25 H22 Fe N2 O - | - C25 H22 Fe N2 O - | - C100 H88 Fe4 N8 O4 - | 4 | 1 | SK1507 | Gallagher, John F.; Hanlon, Keith; Howarth, Joshua | Intermolecular interactions in two (ferrocenylmethyl)benzimidazoles incorporating the 4-MeOC~6~H~4~ and 3,4-(MeO)~2~C~6~H~3~ groups: analysis of MeO—C—C distortions from ideal 120{^i̧rc} geometry | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1410 | 1414 | 10.1107/S0108270101015591 | 0.71073 | MoKα | 0.056 | 0.04 | null | null | 0.099 | 0.11 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Gallagher, John F.; Hanlon, Keith; Howarth, Joshua
Intermolecular interactions in two (ferrocenylmethyl)benzimidazoles incorporating the 4-MeOC~6~H~4~ and 3,4-(MeO)~2~C~6~H~3~ groups: analysis of MeO—C—C distortions from ideal 120{^i̧rc} geometry
Acta Crystallographica Section C
57(12)
(2001)
1410-1414 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,012,397 | 11.7089 | 0.001 | 13.7888 | 0.0012 | 13.2441 | 0.0011 | 90 | null | 96.758 | 0.007 | 90 | null | 2,123.4 | 0.3 | 294 | 2 | 294 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | 2-(3,4-dimethoxyphenyl)-1-ferrocenylmethyl-1H-benzimidazole | - C26 H24 Fe N2 O2 - | - C26 H24 Fe N2 O2 - | - C104 H96 Fe4 N8 O8 - | 4 | 1 | SK1507 | Gallagher, John F.; Hanlon, Keith; Howarth, Joshua | Intermolecular interactions in two (ferrocenylmethyl)benzimidazoles incorporating the 4-MeOC~6~H~4~ and 3,4-(MeO)~2~C~6~H~3~ groups: analysis of MeO—C—C distortions from ideal 120{^i̧rc} geometry | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1410 | 1414 | 10.1107/S0108270101015591 | 0.71073 | MoKα | 0.064 | 0.039 | null | null | 0.086 | 0.096 | null | null | null | null | null | 1.01 | null | null | has coordinates,has Fobs | Gallagher, John F.; Hanlon, Keith; Howarth, Joshua
Intermolecular interactions in two (ferrocenylmethyl)benzimidazoles incorporating the 4-MeOC~6~H~4~ and 3,4-(MeO)~2~C~6~H~3~ groups: analysis of MeO—C—C distortions from ideal 120{^i̧rc} geometry
Acta Crystallographica Section C
57(12)
(2001)
1410-1414 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,012,398 | 9.656 | 0.0002 | 10.1195 | 0.0001 | 12.3126 | 0.0002 | 110.704 | 0.001 | 92.659 | 0.001 | 115.856 | 0.001 | 983.58 | 0.03 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Diethyl 1-(p-fluorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2,2-dicarboxylate | - C20 H20 F N O5 S - | - C20 H20 F N O5 S - | - C40 H40 F2 N2 O10 S2 - | 2 | 1 | SK1510 | Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Ray, Jayanta Kumar; Das Adhikari, Sujit; Datta, Bishnu Pada | Diethyl 1-(<i>p</i>-fluorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2,2-dicarboxylate | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1441 | 1442 | 10.1107/S010827010101681X | 0.71073 | MoKα | 0.0778 | 0.0586 | null | null | 0.1491 | 0.1608 | null | null | null | null | null | 0.945 | null | null | has coordinates,has disorder,has Fobs | Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada; Fun, Hoong-Kun; Ray, Jayanta Kumar; Das Adhikari, Sujit; Datta, Bishnu Pada
Diethyl 1-(<i>p</i>-fluorophenyl)-5-oxo-3-(2-thienyl)pyrrolidine-2,2-dicarboxylate
Acta Crystallographica Section C
57(12)
(2001)
1441-1442 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,399 | 12.44 | 0.003 | 12.44 | null | 14.851 | 0.007 | 90 | null | 90 | null | 90 | null | 2,298.2 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 42/n :2 | -P 4bc | 86 | - C24 H50 Cl4 Cu4 N12 O20.6 - | - C24 H48 Cl4 Cu4 N12 O20.6 - | - C48 H96 Cl8 Cu8 N24 O41.2 - | 2 | 0.25 | TA1319 | Tian-Huey Lu; Yung-Jan Lin; Hung Luh; Fen-Ling Liao; Chung-Sun Chung | A linear cyclic oximate-bridged tetracopper(II) complex | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1398 | 1399 | 10.1107/S0108270101016456 | 0.71073 | MoKα | 0.1249 | 0.066 | null | null | 0.1653 | 0.1834 | null | null | null | null | null | 1.087 | null | null | has coordinates | Tian-Huey Lu; Yung-Jan Lin; Hung Luh; Fen-Ling Liao; Chung-Sun Chung
A linear cyclic oximate-bridged tetracopper(II) complex
Acta Crystallographica Section C
57(12)
(2001)
1398-1399 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,012,400 | 8.1634 | 0.0009 | 8.572 | 0.001 | 10.171 | 0.001 | 87.079 | 0.005 | 75.833 | 0.004 | 75.233 | 0.006 | 667.24 | 0.13 | 296 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C10 H8 Co N2 O6 V2 - | - C10 H8 Co N2 O6 V2 - | - C20 H16 Co2 N4 O12 V4 - | 2 | 1 | TA1336 | Yang, Lan; Naruke, Haruo; Yamase, Toshihiro | A three-dimensional inorganic/organic hybrid vanadium oxide complex with pentacoordinate Co^II^, [CoV~2~O~6~(4,4'-bipy)] | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1378 | 1380 | 10.1107/S0108270101014822 | 0.7107 | MoKα | null | 0.044 | null | null | null | 0.174 | null | null | null | null | null | 1.924 | null | null | has coordinates | Yang, Lan; Naruke, Haruo; Yamase, Toshihiro
A three-dimensional inorganic/organic hybrid vanadium oxide complex with pentacoordinate Co^II^, [CoV~2~O~6~(4,4'-bipy)]
Acta Crystallographica Section C
57(12)
(2001)
1378-1380 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,012,401 | 8.671 | 0.0005 | 16.4284 | 0.0008 | 7.8287 | 0.0007 | 90 | null | 92.542 | 0.006 | 90 | null | 1,114.11 | 0.13 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | - C14 H11 N O2 - | - C14 H11 N O2 - | - C56 H44 N4 O8 - | 4 | 1 | TA1338 | Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Yoshimura, Kimihiro; Yagi, Mikio; Higuchi, Jiro | 4-Nitro-9,10-dihydrophenanthrene and a polymorphic form of 4-nitrophenanthrene | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1462 | 1464 | 10.1107/S0108270101017474 | 1.54178 | CuKα | 0.0465 | 0.0355 | null | 0.1004 | 0.0928 | null | null | null | 1.093 | 1.114 | 1.114 | null | null | null | has coordinates,has Fobs | Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Yoshimura, Kimihiro; Yagi, Mikio; Higuchi, Jiro
4-Nitro-9,10-dihydrophenanthrene and a polymorphic form of 4-nitrophenanthrene
Acta Crystallographica Section C
57(12)
(2001)
1462-1464 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,402 | 15.934 | 0.007 | 12.471 | 0.005 | 11.436 | 0.005 | 90 | null | 110.48 | 0.05 | 90 | null | 2,128.8 | 1.7 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H9 N O2 - | - C14 H9 N O2 - | - C112 H72 N8 O16 - | 8 | 2 | TA1338 | Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Yoshimura, Kimihiro; Yagi, Mikio; Higuchi, Jiro | 4-Nitro-9,10-dihydrophenanthrene and a polymorphic form of 4-nitrophenanthrene | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1462 | 1464 | 10.1107/S0108270101017474 | 0.71073 | MoKα | 0.0976 | 0.0539 | null | 0.1634 | 0.1395 | null | null | null | 1.038 | 1.117 | 1.117 | null | null | null | has coordinates,has Fobs | Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji; Yoshimura, Kimihiro; Yagi, Mikio; Higuchi, Jiro
4-Nitro-9,10-dihydrophenanthrene and a polymorphic form of 4-nitrophenanthrene
Acta Crystallographica Section C
57(12)
(2001)
1462-1464 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,403 | 12.802 | 0.007 | 7.0425 | 0.001 | 14.97 | 0.01 | 90 | null | 107.44 | 0.03 | 90 | null | 1,287.6 | 1.1 | 291 | null | 291 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C23 H36 N2 O11 - | - C23 H36 N2 O11 - | - C46 H72 N4 O22 - | 2 | 1 | TR1000 | Puliti, Raffaella; Mattia, Carlo A.; De Fazio, Alessia; Ghiara, Maria R.; Mazzarella, Lelio | Cinchoninium <small>L</small>-tartrate tetrahydrate | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1447 | 1449 | 10.1107/S0108270101016365 | 1.5418 | CuKα | 0.049 | 0.046 | null | null | null | 0.054 | null | null | null | null | null | 0.99 | null | null | has coordinates,has Fobs | Puliti, Raffaella; Mattia, Carlo A.; De Fazio, Alessia; Ghiara, Maria R.; Mazzarella, Lelio
Cinchoninium <small>L</small>-tartrate tetrahydrate
Acta Crystallographica Section C
57(12)
(2001)
1447-1449 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,404 | 10.268 | 0.004 | 9.529 | 0.003 | 15.315 | 0.005 | 90 | null | 101.023 | 0.006 | 90 | null | 1,470.8 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 1,3-Dichloro-1,1-dimethyl-3,3-diisopropyl distannoxane | - C16 H40 Cl4 O2 Sn4 - | - C16 H40 Cl4 O2 Sn4 - | - C32 H80 Cl8 O4 Sn8 - | 2 | 0.5 | VJ1147 | Lu, Yan; Leng, Xuebing; Wang, Honggen; Xie, Qinglan; Li, Jing | 1,3-Dichloro-1,1-dimethyl-3,3-diisopropyldistannoxane | Acta Crystallographica Section C | 2,001 | 57 | 12 | 1391 | 1392 | 10.1107/S0108270101015645 | 0.71073 | MoKα | 0.0494 | 0.0287 | null | null | 0.0616 | 0.0678 | null | null | null | null | null | 0.921 | null | null | has coordinates,has Fobs | Lu, Yan; Leng, Xuebing; Wang, Honggen; Xie, Qinglan; Li, Jing
1,3-Dichloro-1,1-dimethyl-3,3-diisopropyldistannoxane
Acta Crystallographica Section C
57(12)
(2001)
1391-1392 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,012,405 | 7.8444 | 0.0003 | 8.4654 | 0.0003 | 20.4378 | 0.0008 | 90 | null | 94.188 | 0.001 | 90 | null | 1,353.57 | 0.09 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | trans-Bis(diethanolamine-N,O)bis(saccharinato-N)cadmium(II) | - C22 H30 Cd N4 O10 S2 - | - C22 H30 Cd N4 O10 S2 - | - C44 H60 Cd2 N8 O20 S4 - | 2 | 0.5 | AV1092 | Andac, Omer; Topcu, Yildiray; Yilmaz, Veysel T.; Harrison, William T. A. | <i>trans</i>-Bis(diethanolamine-<i>N</i>,<i>O</i>)bis(saccharinato-<i>N</i>)cadmium(II) | Acta Crystallographica Section C | 2,002 | 58 | 1 | m14 | m16 | 10.1107/S0108270101018546 | 0.71073 | MoKα | 0.033 | 0.025 | null | null | 0.062 | 0.064 | null | null | null | null | null | 1.025 | null | null | has coordinates,has Fobs | Andac, Omer; Topcu, Yildiray; Yilmaz, Veysel T.; Harrison, William T. A.
<i>trans</i>-Bis(diethanolamine-<i>N</i>,<i>O</i>)bis(saccharinato-<i>N</i>)cadmium(II)
Acta Crystallographica Section C
58(1)
(2002)
m14-m16 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,406 | 20.781 | 0.002 | 10.7159 | 0.0012 | 17.8255 | 0.0019 | 90 | null | 90 | null | 90 | null | 3,969.5 | 0.7 | 170 | 2 | 170 | 2 | null | null | null | null | 7 | P c a 21 | P 2c -2ac | 29 | (4,4'-dimethyl-2,2'-bipyridyl)tris[3,3,3-trifluoro-1-(2-thenoyl)acetonato]- europium(III) | - C36 H24 Eu F9 N2 O6 S3 - | - C36 H24 Eu F9 N2 O6 S3 - | - C144 H96 Eu4 F36 N8 O24 S12 - | 4 | 1 | BK1611 | Zheng, Zhiping; Wang, Jiafu; Liu, Hui; Carducci, Michael D.; Peyghambarian, Nasser; Jabbourb, Ghassan E. | A triboluminescent europium(III) complex | Acta Crystallographica Section C | 2,002 | 58 | 1 | m50 | m52 | 10.1107/S0108270101016432 | 0.71073 | MoKα | 0.0347 | 0.0261 | null | null | 0.0573 | 0.0616 | null | null | null | null | null | 1.115 | null | null | has coordinates,has disorder,has Fobs | Zheng, Zhiping; Wang, Jiafu; Liu, Hui; Carducci, Michael D.; Peyghambarian, Nasser; Jabbourb, Ghassan E.
A triboluminescent europium(III) complex
Acta Crystallographica Section C
58(1)
(2002)
m50-m52 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,407 | 9.863 | 0.001 | 12.065 | 0.002 | 8.605 | 0.001 | 90 | null | 101.45 | 0.01 | 90 | null | 1,003.6 | 0.2 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | trans-Bis(benzoato-O)tetrakis(methanol-O)iron(II) | - C18 H26 Fe O8 - | - C18 H26 Fe O8 - | - C36 H52 Fe2 O16 - | 2 | 0.5 | BK1620 | McMullen, Sarah E.; Hagen, Karl S. | <i>trans</i>-Bis(benzoato-<i>O</i>)tetrakis(methanol-<i>O</i>)iron(II): ligand bulk is not structure-determining | Acta Crystallographica Section C | 2,002 | 58 | 1 | m48 | m49 | 10.1107/S010827010101873X | 0.71073 | MoKα | 0.029 | 0.027 | null | null | 0.077 | 0.078 | null | null | null | null | null | 1.078 | null | null | has coordinates,has Fobs | McMullen, Sarah E.; Hagen, Karl S.
<i>trans</i>-Bis(benzoato-<i>O</i>)tetrakis(methanol-<i>O</i>)iron(II): ligand bulk is not structure-determining
Acta Crystallographica Section C
58(1)
(2002)
m48-m49 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012407.cif $
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2,012,408 | 13.061 | 0.0007 | 6.8155 | 0.0004 | 20.7293 | 0.0011 | 90 | null | 99.677 | 0.001 | 90 | null | 1,819.01 | 0.17 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | Sodium p-nitrobenzoxasulfamate monohydrate | - C6 H5 N2 Na O6 S - | - C6 H5 N2 Na O6 S - | - C48 H40 N16 Na8 O48 S8 - | 8 | 1 | BM1465 | Yazicilar, Turan K.; Andac, Omer; Bekdemir, Yunus; Kutuk, Halil; Yilmaz, Veysel T.; Harrison, William T. A. | Sodium <i>p</i>-nitrobenzoxasulfamate monohydrate | Acta Crystallographica Section C | 2,002 | 58 | 1 | m21 | m22 | 10.1107/S0108270101017930 | 0.71069 | MoKα | 0.0371 | 0.03 | null | null | 0.0815 | 0.085 | null | null | null | null | null | 1.038 | null | null | has coordinates,has Fobs | Yazicilar, Turan K.; Andac, Omer; Bekdemir, Yunus; Kutuk, Halil; Yilmaz, Veysel T.; Harrison, William T. A.
Sodium <i>p</i>-nitrobenzoxasulfamate monohydrate
Acta Crystallographica Section C
58(1)
(2002)
m21-m22 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012408.cif $
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2,012,409 | 11.6695 | 0.0008 | 18.2129 | 0.0012 | 19.194 | 0.0013 | 90 | null | 106.42 | 0.004 | 90 | null | 3,913 | 0.5 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C36 H52 Cl2 N2 O4 U2 - | - C36 H52 Cl2 N2 O4 U2 - | - C144 H208 Cl8 N8 O16 U8 - | 4 | 1 | BM1473 | Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel | A dinuclear uranium(IV) complex of the chelating ligand 1,2,3,4-tetramethyl-5-(2-pyridyl)cyclopentadiene | Acta Crystallographica Section C | 2,002 | 58 | 1 | m8 | m9 | 10.1107/S0108270101016961 | 0.71073 | MoKα | 0.29 | 0.0866 | null | null | 0.117 | 0.184 | null | null | null | null | null | 0.917 | null | null | has coordinates | Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel
A dinuclear uranium(IV) complex of the chelating ligand 1,2,3,4-tetramethyl-5-(2-pyridyl)cyclopentadiene
Acta Crystallographica Section C
58(1)
(2002)
m8-m9 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012409.cif $
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2,012,410 | 10.8638 | 0.0007 | 9.6264 | 0.0005 | 15.9399 | 0.0009 | 90 | null | 94.27 | 0.003 | 90 | null | 1,662.36 | 0.17 | 100 | 2 | 100 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C17 H22 O6 - | - C17 H22 O6 - | - C68 H88 O24 - | 4 | 1 | BM1474 | Thuéry, Pierre; Nierlich, Martine; Masci, Bernardo | Bis[2-(2-hydroxyphenoxy)ethyl] ether methanol solvate | Acta Crystallographica Section C | 2,002 | 58 | 1 | o14 | o15 | 10.1107/S010827010101664X | 0.71073 | MoKα | 0.0771 | 0.0452 | null | null | 0.1033 | 0.1194 | null | null | null | null | null | 1.024 | null | null | has coordinates,has Fobs | Thuéry, Pierre; Nierlich, Martine; Masci, Bernardo
Bis[2-(2-hydroxyphenoxy)ethyl] ether methanol solvate
Acta Crystallographica Section C
58(1)
(2002)
o14-o15 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,411 | 7.521 | 0.0002 | 15.627 | 0.0004 | 8.3657 | 0.0003 | 90 | null | 105 | 0.001 | 90 | null | 949.72 | 0.05 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Bis[2-(pyrazol-3-yl)phenolato]copper(II) methanol disolvate | - C20 H22 Cu N4 O4 - | - C20 H22 Cu N4 O4 - | - C40 H44 Cu2 N8 O8 - | 2 | 0.5 | BM1476 | Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A. | Bis[2-(pyrazol-3-yl)phenolato-κ^2^<i>N</i>^2^,<i>O</i>]copper(II) dimethanol solvate | Acta Crystallographica Section C | 2,002 | 58 | 1 | m10 | m11 | 10.1107/S0108270101017656 | 0.71073 | MoKα | 0.0374 | 0.0336 | null | null | 0.0898 | 0.093 | null | null | null | null | null | 1.063 | null | null | has coordinates,has Fobs | Liu, Xiaoming; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.
Bis[2-(pyrazol-3-yl)phenolato-κ^2^<i>N</i>^2^,<i>O</i>]copper(II) dimethanol solvate
Acta Crystallographica Section C
58(1)
(2002)
m10-m11 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,412 | 10.899 | 0.0004 | 5.8759 | 0.0002 | 13.3784 | 0.0005 | 90 | null | 90 | null | 90 | null | 856.77 | 0.05 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P m n 21 | P 2ac -2 | 31 | Dicaesium silver zinc thiocyanate | dicaesium(I)-μ-thiocyanate-κ^2^N,S-zinc(II)-tetra-μ-thiocyanato-κ^2^S,N- argentate(I) | - C5 Ag Cs2 N5 S5 Zn - | - C5 Ag Cs2 N5 S5 Zn - | - C10 Ag2 Cs4 N10 S10 Zn2 - | 2 | 0.5 | BR1342 | Günes̨, Minna; Valkonen, Jussi | Dicaesium silver zinc thiocyanate, Cs~2~[AgZn(SCN)~5~] | Acta Crystallographica Section C | 2,002 | 58 | 1 | i1 | i2 | 10.1107/S0108270101015463 | 0.71073 | MoKα | 0.0483 | 0.0376 | null | null | 0.0829 | 0.0872 | null | null | null | null | null | 1.05 | null | null | has coordinates,has Fobs | Günes̨, Minna; Valkonen, Jussi
Dicaesium silver zinc thiocyanate, Cs~2~[AgZn(SCN)~5~]
Acta Crystallographica Section C
58(1)
(2002)
i1-i2 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012412.cif $
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2,012,413 | 5.08 | 0.0002 | 5.0748 | 0.0002 | 8.3009 | 0.0003 | 90 | null | 90 | null | 119.625 | 0.0002 | 186.023 | 0.012 | 473 | null | 473 | null | null | null | null | null | 3 | P 1 1 21 | P 2c | 4 | aluminium phosphate | - Al O4 P - | - Al O4 P - | - Al2 O8 P2 - | 2 | 1 | BR1343 | Graetsch, Heribert A. | Monoclinic AlPO~4~ tridymite at 473 and 463K from X-ray powder data | Acta Crystallographica Section C | 2,002 | 58 | 1 | i18 | i20 | 10.1107/S0108270101015773 | 1.54056 | CuKα | null | null | null | null | null | null | null | null | 1.36 | null | null | null | null | null | has coordinates | Graetsch, Heribert A.
Monoclinic AlPO~4~ tridymite at 473 and 463K from X-ray powder data
Acta Crystallographica Section C
58(1)
(2002)
i18-i20 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012413.cif $
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2,012,414 | 5.0803 | 0.0002 | 5.0703 | 0.0002 | 8.2992 | 0.0003 | 90 | null | 90 | null | 119.604 | 0.0003 | 185.87 | 0.012 | 463 | null | 473 | null | null | null | null | null | 3 | P 1 1 21 | P 2c | 4 | aluminium phosphate | - Al O4 P - | - Al O4 P - | - Al2 O8 P2 - | 2 | 1 | BR1343 | Graetsch, Heribert A. | Monoclinic AlPO~4~ tridymite at 473 and 463K from X-ray powder data | Acta Crystallographica Section C | 2,002 | 58 | 1 | i18 | i20 | 10.1107/S0108270101015773 | 1.54056 | CuKα | null | null | null | null | null | null | null | null | 1.38 | null | null | null | null | null | has coordinates | Graetsch, Heribert A.
Monoclinic AlPO~4~ tridymite at 473 and 463K from X-ray powder data
Acta Crystallographica Section C
58(1)
(2002)
i18-i20 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012414.cif $
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2,012,415 | 12.035 | 0.002 | 12.235 | 0.002 | 6.541 | 0.002 | 90 | null | 114.14 | 0.02 | 90 | null | 878.9 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Silver tricobalt phosphate bis(hydrogen phosphate) | - Ag Co3 H2 O12 P3 - | - Ag Co3 H2 O12 P3 - | - Ag4 Co12 H8 O48 P12 - | 4 | 0.5 | BR1345 | Guesmi, Abderrahmen; Driss, Ahmed | AgCo~3~PO~4~(HPO~4~)~2~ | Acta Crystallographica Section C | 2,002 | 58 | 1 | i16 | i17 | 10.1107/S0108270101017759 | 0.71069 | MoKα | 0.025 | 0.025 | null | null | 0.068 | 0.068 | null | null | null | null | null | 1.216 | null | null | has coordinates,has Fobs | Guesmi, Abderrahmen; Driss, Ahmed
AgCo~3~PO~4~(HPO~4~)~2~
Acta Crystallographica Section C
58(1)
(2002)
i16-i17 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012415.cif $
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2,012,416 | 12.736 | 0.0002 | 5.379 | 0.0004 | 8.166 | 0.0006 | 90 | 0.005 | 90 | 0.004 | 90 | 0.004 | 559.43 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | vanadium aluminium molybdate | - Al Mo O7 V - | - Al Mo O7 V - | - Al4 Mo4 O28 V4 - | 4 | 0.5 | BR1347 | Galy, Jean; Enjalbert, Renée; Rozier, Patrick; Millet, Patrice | The mixed oxide MoVAlO~7~ | Acta Crystallographica Section C | 2,002 | 58 | 1 | i6 | i8 | 10.1107/S010827010101767X | 0.71073 | MoKα | 0.0486 | 0.0348 | null | 0.0865 | null | 0.0825 | null | null | null | 1.106 | 1.106 | 1.052 | null | null | has coordinates,has Fobs | Galy, Jean; Enjalbert, Renée; Rozier, Patrick; Millet, Patrice
The mixed oxide MoVAlO~7~
Acta Crystallographica Section C
58(1)
(2002)
i6-i8 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012416.cif $
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2,012,417 | 7.8696 | 0.0001 | 19.091 | 0.0002 | 7.7411 | 0.0001 | 90 | null | 93.338 | 0.001 | 90 | null | 1,161.04 | 0.02 | 293 | 2 | 293 | 2 | null | null | null | null | 8 | P 1 21/c 1 | -P 2ybc | 14 | dicaesium calcium disilver thiocyanate dihydrate | dicaesium calcium disilver thiocyanate dihydrate | - C6 H4 Ag2 Ca Cs2 N6 O2 S6 - | - C6 H4 Ag2 Ca Cs2 N6 O2 S6 - | - C12 H8 Ag4 Ca2 Cs4 N12 O4 S12 - | 2 | 0.5 | BR1348 | Nättinen, Kalle; Günes̨, Minna; Valkonen, Jussi | Calcium dicaesium silver thiocyanate dihydrate | Acta Crystallographica Section C | 2,002 | 58 | 1 | i21 | i22 | 10.1107/S0108270101017413 | 0.71073 | MoKα | 0.0397 | 0.0332 | null | null | 0.057 | 0.0587 | null | null | null | null | null | 1.123 | null | null | has coordinates | Nättinen, Kalle; Günes̨, Minna; Valkonen, Jussi
Calcium dicaesium silver thiocyanate dihydrate
Acta Crystallographica Section C
58(1)
(2002)
i21-i22 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012417.cif $
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2,012,418 | 7.7004 | 0.0004 | 9.5777 | 0.0005 | 16.5825 | 0.0008 | 90 | null | 90 | null | 90 | null | 1,222.99 | 0.11 | 120 | 2 | 120 | 2 | null | null | null | null | 3 | P c a 21 | P 2c -2ac | 29 | Vanadyl pyrophosphate | Oxovanadium(IV) diphosphate | - O9 P2 V2 - | - O9 P2 V2 - | - O72 P16 V16 - | 8 | 2 | BR1349 | Geupel, Sandra; Pilz, Katrin; van Smaalen, Sander; Büllesfeld, Frank; Prokofiev, Andrei; Assmus, Wolf | Synchrotron-radiation study of the two-leg spin-ladder (VO)~2~P~2~O~7~ at 120K | Acta Crystallographica Section C | 2,002 | 58 | 1 | i9 | i13 | 10.1107/S0108270101017553 | 0.70843 | synchrotron | 0.0352 | 0.0306 | null | null | 0.0675 | 0.0684 | null | null | null | null | null | 0.877 | null | null | has coordinates,has Fobs | Geupel, Sandra; Pilz, Katrin; van Smaalen, Sander; Büllesfeld, Frank; Prokofiev, Andrei; Assmus, Wolf
Synchrotron-radiation study of the two-leg spin-ladder (VO)~2~P~2~O~7~ at 120K
Acta Crystallographica Section C
58(1)
(2002)
i9-i13 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012418.cif $
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2,012,419 | 9.9348 | 0.0015 | 11.5498 | 0.0017 | 11.9637 | 0.0017 | 71.806 | 0.003 | 75.622 | 0.003 | 66.844 | 0.002 | 1,186.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | [Cu2(tren)2Cl2](1,5-nds)2.5H2O | Di-μ-chloro-bis({2-[N,N-bis(2-aminoethyl)amino-κ^3^N]ethylaminium}copper(II)) bis(naphthalene-1,5-disulfonate) pentahydrate | - C32 H60 Cl2 Cu2 N8 O17 S4 - | - C32 H58 Cl2 Cu2 N8 O17.04 S4 - | - C32 H58 Cl2 Cu2 N8 O17.04 S4 - | 1 | 0.5 | DA1201 | Chen, Cai-Hong; Cai, Jiwen; Chen, Xiao-Ming | Di-μ-chloro-bis({2-[<i>N</i>,<i>N</i>-bis(2-aminoethyl)amino-κ^3^<i>N</i>]ethylaminium}copper(II)) bis(naphthalene-1,5-disulfonate) pentahydrate | Acta Crystallographica Section C | 2,002 | 58 | 1 | m59 | m60 | 10.1107/S010827010101561X | 0.71073 | MoKα | 0.045 | 0.041 | null | null | 0.114 | 0.118 | null | null | null | null | null | 1.014 | null | null | has coordinates | Chen, Cai-Hong; Cai, Jiwen; Chen, Xiao-Ming
Di-μ-chloro-bis({2-[<i>N</i>,<i>N</i>-bis(2-aminoethyl)amino-κ^3^<i>N</i>]ethylaminium}copper(II)) bis(naphthalene-1,5-disulfonate) pentahydrate
Acta Crystallographica Section C
58(1)
(2002)
m59-m60 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012419.cif $
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2,012,420 | 13.381 | 0.002 | 20.813 | 0.002 | 13.881 | 0.002 | 90 | null | 109.68 | 0.01 | 90 | null | 3,640 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | 4-[3-(3,4-Dimethoxyphenyl)prop-2-enoyl]phenyl methacrylate | - C21 H20 O5 - | - C21 H20 O5 - | - C168 H160 O40 - | 8 | 1 | DA1204 | Jeyabharathi, A.; Ponnuswamy, M. N.; Nanjundan, S.; Fun, Hoong-Kun; Suchada Chantrapromma; Usman, Anwar; Razak, Ibrahim Abdul | 4-[3-(3,4-Dimethoxyphenyl)prop-2-enoyl]phenyl methacrylate and 4-[3-(2-bromophenyl)prop-2-enoyl]phenyl methacrylate | Acta Crystallographica Section C | 2,002 | 58 | 1 | o26 | o28 | 10.1107/S0108270101018273 | 1.5418 | CuKα | 0.079 | 0.0536 | null | null | 0.1448 | 0.1628 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Jeyabharathi, A.; Ponnuswamy, M. N.; Nanjundan, S.; Fun, Hoong-Kun; Suchada Chantrapromma; Usman, Anwar; Razak, Ibrahim Abdul
4-[3-(3,4-Dimethoxyphenyl)prop-2-enoyl]phenyl methacrylate and 4-[3-(2-bromophenyl)prop-2-enoyl]phenyl methacrylate
Acta Crystallographica Section C
58(1)
(2002)
o26-o28 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,421 | 7.5272 | 0.0003 | 10.194 | 0.0004 | 11.578 | 0.0004 | 96.227 | 0.001 | 98.428 | 0.001 | 108.763 | 0.001 | 820.55 | 0.05 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 4-[3-(2-bromophenyl)prop-2-enoyl]phenyl methacrylate | - C19 H15 Br O3 - | - C19 H15 Br O3 - | - C38 H30 Br2 O6 - | 2 | 1 | DA1204 | Jeyabharathi, A.; Ponnuswamy, M. N.; Nanjundan, S.; Fun, Hoong-Kun; Suchada Chantrapromma; Usman, Anwar; Razak, Ibrahim Abdul | 4-[3-(3,4-Dimethoxyphenyl)prop-2-enoyl]phenyl methacrylate and 4-[3-(2-bromophenyl)prop-2-enoyl]phenyl methacrylate | Acta Crystallographica Section C | 2,002 | 58 | 1 | o26 | o28 | 10.1107/S0108270101018273 | 0.71073 | MoKα | 0.0629 | 0.056 | null | null | 0.1414 | 0.1455 | null | null | null | null | null | 0.992 | null | null | has coordinates,has Fobs | Jeyabharathi, A.; Ponnuswamy, M. N.; Nanjundan, S.; Fun, Hoong-Kun; Suchada Chantrapromma; Usman, Anwar; Razak, Ibrahim Abdul
4-[3-(3,4-Dimethoxyphenyl)prop-2-enoyl]phenyl methacrylate and 4-[3-(2-bromophenyl)prop-2-enoyl]phenyl methacrylate
Acta Crystallographica Section C
58(1)
(2002)
o26-o28 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,422 | 12.9519 | 0.0001 | 18.1406 | 0.0001 | 15.6117 | 0.0002 | 90 | null | 95.23 | 0.001 | 90 | null | 3,652.78 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C21 H17 Fe N3 O S - | - C21 H17 Fe N3 O S - | - C168 H136 Fe8 N24 O8 S8 - | 8 | 2 | DA1205 | Yang, Jia-Xiang; Tian, Yu-Peng; Liu, Qing-Liang; Xie, Yong-Shu; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul | <i>N</i>-(Ferrocenecarbonyl)-<i>N</i>'-(quinolin-8-yl)thiourea | Acta Crystallographica Section C | 2,002 | 58 | 1 | m43 | m44 | 10.1107/S0108270101018303 | 0.71073 | MoKα | 0.0866 | 0.046 | null | null | 0.0955 | 0.1049 | null | null | null | null | null | 0.965 | null | null | has coordinates,has Fobs | Yang, Jia-Xiang; Tian, Yu-Peng; Liu, Qing-Liang; Xie, Yong-Shu; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul
<i>N</i>-(Ferrocenecarbonyl)-<i>N</i>'-(quinolin-8-yl)thiourea
Acta Crystallographica Section C
58(1)
(2002)
m43-m44 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,012,423 | 10.2447 | 0.0001 | 10.3416 | 0.0001 | 16.9848 | 0.0002 | 90 | null | 103.482 | 0.001 | 90 | null | 1,749.89 | 0.03 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1,1'-diacetyl-3-hydroxy-1,1',3,3'-tetrahydro-3,3'-bisindole-2,2'-dione | - C20 H16 N2 O5 - | - C20 H16 N2 O5 - | - C80 H64 N8 O20 - | 4 | 1 | DA1206 | Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Xue, Jie; Xu, Jian-Hua | 1,1'-Diacetyl-3-hydroxy-2,2',3,3'-tetrahydro-3,3'-bi(1<i>H</i>-indole)-2,2'-dione | Acta Crystallographica Section C | 2,002 | 58 | 1 | o24 | o25 | 10.1107/S0108270101017875 | 0.71073 | MoKα | 0.0721 | 0.0529 | null | null | 0.1297 | 0.138 | null | null | null | null | null | 0.92 | null | null | has coordinates,has Fobs | Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Xue, Jie; Xu, Jian-Hua
1,1'-Diacetyl-3-hydroxy-2,2',3,3'-tetrahydro-3,3'-bi(1<i>H</i>-indole)-2,2'-dione
Acta Crystallographica Section C
58(1)
(2002)
o24-o25 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,424 | 8.676 | 0.005 | 11.843 | 0.008 | 12.279 | 0.008 | 80.81 | 0.01 | 71.74 | 0.01 | 84.6 | 0.01 | 1,181.4 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Diazido μ~1,3~-azidotetra(1,10-phenanthroline) diCopper(II) azide tetrahydrate | - C24 H20 Cu N10 O2 - | - C24 H20 Cu N10 O2 - | - C48 H40 Cu2 N20 O4 - | 2 | 1 | DE1175 | Cheng, Ya-Qian; Hu, Mao-Lin; Wang, Shun; Ye, Ming-De | μ~1,3~-Azido-diazidotetrakis(1,10-phenanthroline)dicopper(II) azide tetrahydrate | Acta Crystallographica Section C | 2,002 | 58 | 1 | m12 | m13 | 10.1107/S0108270101016948 | 0.71073 | MoKα | 0.065 | 0.0458 | null | null | 0.1078 | 0.1209 | null | null | null | null | null | 1.028 | null | null | has coordinates,has Fobs | Cheng, Ya-Qian; Hu, Mao-Lin; Wang, Shun; Ye, Ming-De
μ~1,3~-Azido-diazidotetrakis(1,10-phenanthroline)dicopper(II) azide tetrahydrate
Acta Crystallographica Section C
58(1)
(2002)
m12-m13 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,425 | 12.8651 | 0.0007 | 13.7422 | 0.0007 | 15.2642 | 0.0009 | 70.595 | 0.002 | 70.795 | 0.002 | 71.944 | 0.002 | 2,341.9 | 0.2 | 173 | 2 | 193 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C96 H88 Al4 F30 N2 Si2 Ti2 - | - C96 H88 Al4 F30 N2 Si2 Ti2 - | - C96 H88 Al4 F30 N2 Si2 Ti2 - | 1 | 0.5 | FR1315 | Abboud, Khalil A.; Nickias, Peter N.; Chen, Eugene Y.-X. | A dimeric constrained-geometry titanium complex linked by double Ti‒CH~2~‒Al‒CH~2~ heterocycles | Acta Crystallographica Section C | 2,002 | 58 | 1 | m41 | m42 | 10.1107/S0108270101016754 | 0.71073 | MoKα | 0.119 | 0.0518 | null | null | 0.0999 | 0.1225 | null | null | null | null | null | 0.959 | null | null | has coordinates,has Fobs | Abboud, Khalil A.; Nickias, Peter N.; Chen, Eugene Y.-X.
A dimeric constrained-geometry titanium complex linked by double Ti‒CH~2~‒Al‒CH~2~ heterocycles
Acta Crystallographica Section C
58(1)
(2002)
m41-m42 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012425.cif $
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2,012,426 | 25.0078 | 0.0008 | 6.7416 | 0.0001 | 14.3677 | 0.0004 | 90 | null | 92.495 | 0.001 | 90 | null | 2,419.99 | 0.11 | 120 | 2 | 120 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | catena-Poly[penta-aquabis{N-(6-amino-3,4-dihydro-3-methyl-5-nitroso- 4-oxopyrimidin-2-yl)glycinate}strontium monohydrate] | - C14 H28 N10 O14 Sr - | - C14 H28 N10 O14 Sr - | - C56 H112 N40 O56 Sr4 - | 4 | 1 | FR1349 | Glidewell, Christopher; Low, John N.; Arranz Mascarós, Paloma; Cuesta Martos, Rafael; Gutiérrez Valero, M^a^ Dolores | <i>catena</i>-Poly[[[{<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinato-<i>O</i>}pentaaquastrontium]-μ-<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinato-<i>O</i>:<i>O</i>'] monohydrate]: coordination polymer chains linked by hydrogen bonds into a three-dimension... | Acta Crystallographica Section C | 2,002 | 58 | 1 | m61 | m64 | 10.1107/S0108270101017887 | 0.71073 | MoKα | 0.0523 | 0.0395 | null | null | 0.0957 | 0.1021 | null | null | null | null | null | 1.063 | null | null | has coordinates,has Fobs | Glidewell, Christopher; Low, John N.; Arranz Mascarós, Paloma; Cuesta Martos, Rafael; Gutiérrez Valero, M^a^ Dolores
<i>catena</i>-Poly[[[{<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinato-<i>O</i>}pentaaquastrontium]-μ-<i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)gl... | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012426.cif $
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2,012,427 | 9.684 | 0.003 | 27.325 | 0.007 | 7.281 | 0.004 | 90 | null | 90 | null | 90 | null | 1,926.7 | 1.3 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | P 21 21 2 | P 2 2ab | 18 | (+)-4-Pregnen-3-one-20β-carboxylic acid | (+)-4-Pregnen-3-one-20β-carboxylic acid | - C22 H32 O3 - | - C22 H32 O3 - | - C88 H128 O12 - | 4 | 1 | FR1353 | Thompson, Hugh W.; Lalancette, Roger A. | (+)-3-Oxo-4-pregnene-20β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid | Acta Crystallographica Section C | 2,002 | 58 | 1 | o22 | o23 | 10.1107/S0108270101018601 | 0.71073 | MoKα | 0.078 | 0.05 | null | null | 0.103 | 0.114 | null | null | null | null | null | 1.06 | null | null | has coordinates,has Fobs | Thompson, Hugh W.; Lalancette, Roger A.
(+)-3-Oxo-4-pregnene-20β-carboxylic acid: catemeric hydrogen bonding in a steroidal keto acid
Acta Crystallographica Section C
58(1)
(2002)
o22-o23 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,012,428 | 32.84 | 0.005 | 32.84 | 0.005 | 13.918 | 0.003 | 90 | null | 90 | null | 120 | null | 12,999 | 4 | 150 | 2 | null | null | null | null | null | null | 3 | R -3 :H | -R 3 | 148 | - C34 H32 O8 - | - C34 H32 O8 - | - C612 H576 O144 - | 18 | 1 | FR1354 | Coles, Simon J.; Hall, Christopher W.; Hursthouse, Michael B. | 2,4-Dihydroxy-1,3-bis(methoxycarbonylmethoxy)calix[4]arene and 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene chloroform solvate | Acta Crystallographica Section C | 2,002 | 58 | 1 | o29 | o31 | 10.1107/S0108270101019163 | 0.71073 | MoKα | null | 0.0436 | null | null | null | 0.1136 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Coles, Simon J.; Hall, Christopher W.; Hursthouse, Michael B.
2,4-Dihydroxy-1,3-bis(methoxycarbonylmethoxy)calix[4]arene and 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene chloroform solvate
Acta Crystallographica Section C
58(1)
(2002)
o29-o31 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012428.cif $
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2,012,429 | 10.027 | 0.002 | 10.243 | 0.002 | 16.852 | 0.003 | 90 | null | 100.39 | 0.03 | 90 | null | 1,702.4 | 0.6 | 100 | 2 | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C37 H37 Cl3 O8 - | - C37 H37 Cl3 O8 - | - C74 H74 Cl6 O16 - | 2 | 1 | FR1354 | Coles, Simon J.; Hall, Christopher W.; Hursthouse, Michael B. | 2,4-Dihydroxy-1,3-bis(methoxycarbonylmethoxy)calix[4]arene and 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene chloroform solvate | Acta Crystallographica Section C | 2,002 | 58 | 1 | o29 | o31 | 10.1107/S0108270101019163 | 0.71073 | MoKα | null | 0.041 | null | null | null | 0.0995 | null | null | null | null | null | 0.95 | null | null | has coordinates,has Fobs | Coles, Simon J.; Hall, Christopher W.; Hursthouse, Michael B.
2,4-Dihydroxy-1,3-bis(methoxycarbonylmethoxy)calix[4]arene and 1,3-bis(ethoxycarbonylmethoxy)-2,4-dihydroxycalix[4]arene chloroform solvate
Acta Crystallographica Section C
58(1)
(2002)
o29-o31 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,012,430 | 24.41 | 0.02 | 14.479 | 0.006 | 7.63 | 0.004 | 90 | null | 90 | null | 90 | null | 2,697 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P c a 21 | P 2c -2ac | 29 | {5-(dimethylamino)-2-[N-(4-methoxyphenyl)iminomethyl]phenyl}[N-(4- methoxyphenyl)-4-nitrosalicylaldiminato]palladium(II) | - C30 H28 N4 O5 Pd - | - C30 H28 N4 O5 Pd - | - C120 H112 N16 O20 Pd4 - | 4 | 1 | GD1166 | Centore, Roberto; Roviello, Antonio; Tuzi, Angela; Panunzi, Barbara | Two orthopalladated chromophores | Acta Crystallographica Section C | 2,002 | 58 | 1 | m26 | m28 | 10.1107/S0108270101014147 | 0.71069 | MoKα | 0.1659 | 0.0553 | null | null | 0.0979 | 0.1237 | null | null | null | null | null | 0.96 | null | null | has coordinates,has Fobs | Centore, Roberto; Roviello, Antonio; Tuzi, Angela; Panunzi, Barbara
Two orthopalladated chromophores
Acta Crystallographica Section C
58(1)
(2002)
m26-m28 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012430.cif $
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2,012,431 | 31.582 | 0.01 | 7.5847 | 0.001 | 26.557 | 0.006 | 90 | null | 104.96 | 0.03 | 90 | null | 6,146 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | [4-(diethylamino)-N-(4-methoxyphenyl)salicylaldiminato]- {5-methoxy-2-[N-(4-methoxyphenyl)iminomethyl]phenyl}palladium(II), dichloromethane hemisolvate | - C32.5 H33 Cl N4 O5 Pd - | - C32.5 H33 Cl N4 O5 Pd - | - C260 H264 Cl8 N32 O40 Pd8 - | 8 | 1 | GD1166 | Centore, Roberto; Roviello, Antonio; Tuzi, Angela; Panunzi, Barbara | Two orthopalladated chromophores | Acta Crystallographica Section C | 2,002 | 58 | 1 | m26 | m28 | 10.1107/S0108270101014147 | 0.71069 | MoKα | 0.1764 | 0.0611 | null | null | 0.1171 | 0.1506 | null | null | null | null | null | 0.975 | null | null | has coordinates,has Fobs | Centore, Roberto; Roviello, Antonio; Tuzi, Angela; Panunzi, Barbara
Two orthopalladated chromophores
Acta Crystallographica Section C
58(1)
(2002)
m26-m28 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,012,432 | 5.2347 | 0.0006 | 5.2421 | 0.0002 | 19.4177 | 0.0019 | 90 | null | 90 | null | 90 | null | 532.84 | 0.08 | 298 | null | null | null | null | null | null | null | 3 | A 21 a m | A -2 2a | 36 | tricalcium dimanganese heptaoxide | - Ca3 Mn2 O7 - | - Ca3 Mn2 O7 - | - Ca12 Mn8 O28 - | 4 | 0.5 | GD1169 | Guiblin, Nicolas; Grebille, Dominique; Leligny, Henri; Martin, Christine | Ca~3~Mn~2~O~7~ | Acta Crystallographica, Section C: Crystal Structure Communications | 2,002 | 58 | 1 | i3 | i5 | 10.1107/S0108270101018492 | 0.71073 | MoKα | 0.092 | 0.023 | null | null | 0.014 | 0.015 | null | null | null | 1.98 | 1.98 | 1.45 | null | null | has coordinates,has Fobs | Guiblin, Nicolas; Grebille, Dominique; Leligny, Henri; Martin, Christine
Ca~3~Mn~2~O~7~
Acta Crystallographica, Section C: Crystal Structure Communications
58(1)
(2002)
i3-i5 | 210,900 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-09-12 23:03:46 +0300 (Wed, 12 Sep 2018) $
#$Revision: 210900 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012432.cif $
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2,012,433 | 23.5477 | 0.0004 | 4.9605 | 0.0001 | 14.2556 | 0.0008 | 90 | null | 100.702 | 0.001 | 90 | null | 1,636.21 | 0.1 | 150 | 1 | 150 | 1 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one | - C19 H19 N O6 - | - C19 H19 N O6 - | - C76 H76 N4 O24 - | 4 | 1 | GD1178 | Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Albornoz, Andrea; Abonia, Rodrigo | A comparison of the supramolecular structures of 1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and 1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(<i>N</i>,<i>N</i>-dimethylamino)phenyl]prop-2-en-1-one | Acta Crystallographica Section C | 2,002 | 58 | 1 | o42 | o45 | 10.1107/S0108270101018297 | 0.71073 | MoKα | 0.061 | 0.044 | null | null | 0.108 | 0.124 | null | null | null | null | null | 1.03 | null | null | has coordinates,has Fobs | Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Albornoz, Andrea; Abonia, Rodrigo
A comparison of the supramolecular structures of 1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and 1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(<i>N</i>,<i>N</i>-dimethylamino)phenyl]prop-2-en-1-one
Ac... | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,434 | 9.5849 | 0.0002 | 12.3218 | 0.0004 | 13.3304 | 0.0004 | 83.4617 | 0.0014 | 80.2411 | 0.0017 | 85.7271 | 0.0016 | 1,539.04 | 0.08 | 150 | 1 | 150 | 1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(N,N-dimethylamino)phenyl]prop-2-en-1-one | - C18 H18 N2 O3 - | - C18 H18 N2 O3 - | - C72 H72 N8 O12 - | 4 | 2 | GD1178 | Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Albornoz, Andrea; Abonia, Rodrigo | A comparison of the supramolecular structures of 1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and 1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(<i>N</i>,<i>N</i>-dimethylamino)phenyl]prop-2-en-1-one | Acta Crystallographica Section C | 2,002 | 58 | 1 | o42 | o45 | 10.1107/S0108270101018297 | 0.71073 | MoKα | 0.081 | 0.054 | null | null | 0.138 | 0.154 | null | null | null | null | null | 1.016 | null | null | has coordinates,has Fobs | Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Albornoz, Andrea; Abonia, Rodrigo
A comparison of the supramolecular structures of 1-(6-amino-1,3-benzodioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and 1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(<i>N</i>,<i>N</i>-dimethylamino)phenyl]prop-2-en-1-one
Ac... | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,435 | 7.544 | 0.001 | 9.085 | 0.001 | 9.302 | 0.001 | 89.84 | 0.01 | 84.03 | 0.01 | 87.98 | 0.01 | 633.68 | 0.13 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1-Methyl-4(1H)-pyridinethione | - C6 H7 N S - | - C6 H7 N S - | - C24 H28 N4 S4 - | 4 | 2 | GG1079 | Ziȩba, Andrzej; Maślankiewicz, Andrzej; Suwińska, Kinga | Azinyl Sulfides. LXVII. 1-Methylpyridine-4(1<i>H</i>)-thione | Acta Crystallographica Section C | 2,002 | 58 | 1 | o32 | o33 | 10.1107/S0108270101018029 | 1.54178 | CuKα | 0.0635 | 0.0459 | null | null | 0.1258 | 0.1349 | null | null | null | null | null | 1.036 | null | null | has coordinates,has Fobs | Ziȩba, Andrzej; Maślankiewicz, Andrzej; Suwińska, Kinga
Azinyl Sulfides. LXVII. 1-Methylpyridine-4(1<i>H</i>)-thione
Acta Crystallographica Section C
58(1)
(2002)
o32-o33 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,436 | 6.967 | 0.003 | 9.068 | 0.003 | 16.007 | 0.005 | 90 | null | 91.05 | 0.03 | 90 | null | 1,011.1 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | aquabromo(hydrogenpicolinato)mercury(II) | Aquabromo(6-carboxypyridine-2-carboxylato-O,N,O')mercury(II) | - C7 H6 Br Hg N O5 - | - C7 H6 Br Hg N O5 - | - C28 H24 Br4 Hg4 N4 O20 - | 4 | 1 | JZ1482 | Matković-Čalogović, Dubravka; Popović, Jasminka; Popović, Zora; Picek, Igor; Soldin, Željka | Aquabromo(6-carboxypyridine-2-carboxylato-<i>O</i>,<i>N</i>,<i>O</i>')mercury(II) | Acta Crystallographica Section C | 2,002 | 58 | 1 | m39 | m40 | 10.1107/S0108270101018613 | 0.71073 | MoKα | 0.06 | 0.028 | null | null | 0.058 | 0.066 | null | null | null | null | null | 0.992 | null | null | has coordinates,has Fobs | Matković-Čalogović, Dubravka; Popović, Jasminka; Popović, Zora; Picek, Igor; Soldin, Željka
Aquabromo(6-carboxypyridine-2-carboxylato-<i>O</i>,<i>N</i>,<i>O</i>')mercury(II)
Acta Crystallographica Section C
58(1)
(2002)
m39-m40 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,012,437 | 8.7517 | 0.0001 | 17.3654 | 0.0002 | 13.0543 | 0.0002 | 90 | null | 90.837 | 0.001 | 90 | null | 1,983.74 | 0.04 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Diacetatobis(trimethylenethiourea)zinc(II) Monohydrate | - C12 H24 N4 O5 S2 Zn - | - C12 H24 N4 O5 S2 Zn - | - C48 H96 N16 O20 S8 Zn4 - | 4 | 1 | LN1123 | Ibrahim Abdul Razak; Anwar Usman; Hoong-Kun Fun; Bohari M. Yamin; Goh Wooi Keat | Diacetatobis(trimethylenethiourea)zinc(II) monohydrate | Acta Crystallographica Section C | 2,002 | 58 | 1 | m31 | m33 | 10.1107/S0108270101017577 | 0.71073 | MoKα | 0.0674 | 0.0544 | null | null | 0.1324 | 0.1384 | null | null | null | null | null | 0.983 | null | null | has coordinates,has disorder,has Fobs | Ibrahim Abdul Razak; Anwar Usman; Hoong-Kun Fun; Bohari M. Yamin; Goh Wooi Keat
Diacetatobis(trimethylenethiourea)zinc(II) monohydrate
Acta Crystallographica Section C
58(1)
(2002)
m31-m33 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,012,438 | 12.4995 | 0.0002 | 6.6344 | 0.0001 | 18.6203 | 0.0002 | 90 | null | 107.022 | 0.001 | 90 | null | 1,476.48 | 0.04 | 183 | 2 | 183 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Hexamethylenetetramine-2,4,6-trinitrophenol | - C12 H15 N7 O7 - | - C12 H15 N7 O7 - | - C48 H60 N28 O28 - | 4 | 1 | LN1125 | Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok | Hexamethylenetetraminium 2,4,6-trinitrophenolate | Acta Crystallographica Section C | 2,002 | 58 | 1 | o46 | o47 | 10.1107/S0108270101018571 | 0.71073 | MoKα | 0.0689 | 0.058 | null | null | 0.1474 | 0.1539 | null | null | null | null | null | 0.951 | null | null | has coordinates,has Fobs | Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok
Hexamethylenetetraminium 2,4,6-trinitrophenolate
Acta Crystallographica Section C
58(1)
(2002)
o46-o47 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,012,439 | 27.1214 | 0.0003 | 7.1327 | 0.0001 | 7.4776 | 0.0001 | 90 | null | 90 | null | 90 | null | 1,446.53 | 0.03 | 183 | 2 | 183 | 2 | null | null | null | null | 4 | P c a 21 | P 2c -2ac | 29 | Hexamethylenetetramine-4-hydroxy-3-methoxybenzaldehyde | - C14 H20 N4 O3 - | - C14 H20 N4 O3 - | - C56 H80 N16 O12 - | 4 | 1 | LN1127 | Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok | A 1:1 adduct of hexamethylenetetramine and 4-hydroxy-3-methoxybenzaldehyde | Acta Crystallographica Section C | 2,002 | 58 | 1 | o48 | o50 | 10.1107/S0108270101020194 | 0.71073 | MoKα | 0.0631 | 0.0486 | null | null | 0.1071 | 0.1134 | null | null | null | null | null | 0.943 | null | null | has coordinates,has Fobs | Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun; Poh, Bo-Long; Karalai, Chatchanok
A 1:1 adduct of hexamethylenetetramine and 4-hydroxy-3-methoxybenzaldehyde
Acta Crystallographica Section C
58(1)
(2002)
o48-o50 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,440 | 15.963 | 0.003 | 16.051 | 0.003 | 16.552 | 0.003 | 88.59 | 0.03 | 62.54 | 0.03 | 69.16 | 0.03 | 3,466.9 | 1.8 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Antimony phthalocyanine - antimony iodide | Tetrakis(phthalocyaninato(2-)antimony(III) hexadecaiodotetraantimony(III) | - C128 H64 I16 N32 Sb8 - | - C128 H64 I16 N32 Sb8 - | - C128 H64 I16 N32 Sb8 - | 1 | 0.5 | NA1539 | Janczak, Jan; Idemori, Ynara Marina | Tetrakis[phthalocyaninato(2‒)antimony(III)] hexadecaiodotetraantimony(III) | Acta Crystallographica Section C | 2,002 | 58 | 1 | m23 | m25 | 10.1107/S0108270101017590 | 0.71073 | MoKα | 0.062 | 0.0365 | null | null | 0.0728 | 0.0785 | null | null | null | null | null | 1.007 | null | null | has coordinates,has Fobs | Janczak, Jan; Idemori, Ynara Marina
Tetrakis[phthalocyaninato(2‒)antimony(III)] hexadecaiodotetraantimony(III)
Acta Crystallographica Section C
58(1)
(2002)
m23-m25 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,012,441 | 10.083 | 0.002 | 12.77 | 0.003 | 25.816 | 0.005 | 95.64 | 0.03 | 96.98 | 0.03 | 92.07 | 0.03 | 3,279.6 | 1.2 | 120 | 2 | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C19 H26 Cl N6 P3 - | - C57 H78 Cl3 N18 P9 - | - C114 H156 Cl6 N36 P18 - | 2 | 1 | NA1540 | Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbi̇şoğlu, Hani̇fe; Kiliç, Adem; Shaw, Robert A. | Conformational polymorphism in a chiral spiro-<i>cis</i>-<i>ansa</i>-bridged cyclotriphosphazene derivative | Acta Crystallographica Section C | 2,002 | 58 | 1 | o51 | o54 | 10.1107/S010827010101770X | 0.71073 | MoKα | 0.115 | 0.0594 | null | null | 0.1375 | 0.1583 | null | null | null | null | null | 1.055 | null | null | has coordinates,has disorder,has Fobs | Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbi̇şoğlu, Hani̇fe; Kiliç, Adem; Shaw, Robert A.
Conformational polymorphism in a chiral spiro-<i>cis</i>-<i>ansa</i>-bridged cyclotriphosphazene derivative
Acta Crystallographica Section C
58(1)
(2002)
o51-o54 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,012,442 | 16.163 | 0.003 | 16.298 | 0.003 | 17.401 | 0.004 | 90 | null | 103.36 | 0.03 | 90 | null | 4,459.8 | 1.6 | 120 | 2 | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C19 H26 Cl N6 P3 - | - C19 H26 Cl N6 P3 - | - C152 H208 Cl8 N48 P24 - | 8 | 1 | NA1540 | Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbi̇şoğlu, Hani̇fe; Kiliç, Adem; Shaw, Robert A. | Conformational polymorphism in a chiral spiro-<i>cis</i>-<i>ansa</i>-bridged cyclotriphosphazene derivative | Acta Crystallographica Section C | 2,002 | 58 | 1 | o51 | o54 | 10.1107/S010827010101770X | 0.71073 | MoKα | null | 0.0542 | null | null | null | 0.1245 | null | null | null | null | null | 0.989 | null | null | has coordinates,has Fobs | Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbi̇şoğlu, Hani̇fe; Kiliç, Adem; Shaw, Robert A.
Conformational polymorphism in a chiral spiro-<i>cis</i>-<i>ansa</i>-bridged cyclotriphosphazene derivative
Acta Crystallographica Section C
58(1)
(2002)
o51-o54 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,443 | 16.524 | 0.004 | 5.2898 | 0.0009 | 17.021 | 0.003 | 90 | null | 111.229 | 0.017 | 90 | null | 1,386.8 | 0.5 | 293 | 2 | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C18 H13 N O2 - | - C18 H13 N O2 - | - C72 H52 N4 O8 - | 4 | 1 | NA1541 | Crispini, Alessandra; Neve, Francesco | 2,6-Diphenylpyridine-4-carboxylic acid | Acta Crystallographica Section C | 2,002 | 58 | 1 | o34 | o35 | 10.1107/S0108270101017693 | 0.71073 | MoKα | 0.1272 | 0.0448 | null | null | null | 0.0892 | null | null | null | null | null | 0.872 | null | null | has coordinates,has Fobs | Crispini, Alessandra; Neve, Francesco
2,6-Diphenylpyridine-4-carboxylic acid
Acta Crystallographica Section C
58(1)
(2002)
o34-o35 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,444 | 10.0709 | 0.0007 | 12.6595 | 0.0008 | 13.547 | 0.001 | 77.016 | 0.007 | 75.004 | 0.006 | 68.225 | 0.006 | 1,533.3 | 0.2 | 298 | 2 | 298 | 2 | null | null | null | null | 8 | P -1 | -P 1 | 2 | trans-bis(acetonitrile)-bis(di-2-pyridylsulfide-N,N')-ruthenium(ii) bis(tetrafluoroborate) monohydrate | - C24 H24 B2 F8 N6 O Ru S2 - | - C24 H24 B2 F8 N6 O Ru S2 - | - C48 H48 B4 F16 N12 O2 Ru2 S4 - | 2 | 1 | NA1542 | Bruno, Giuseppe; Nicoló, Francesco; Tresoldi, Giuseppe; Lanza, Santo | <i>trans</i>-Diacetonitrilebis(di-2-pyridyl sulfide-<i>N,N</i>')ruthenium(II) bis(tetrafluoroborate) monohydrate | Acta Crystallographica Section C | 2,002 | 58 | 1 | m56 | m58 | 10.1107/S0108270101018091 | 0.71073 | MoKα | 0.0443 | 0.0316 | null | null | 0.0772 | 0.0852 | null | null | null | null | null | 1.057 | null | null | has coordinates,has disorder,has Fobs | Bruno, Giuseppe; Nicoló, Francesco; Tresoldi, Giuseppe; Lanza, Santo
<i>trans</i>-Diacetonitrilebis(di-2-pyridyl sulfide-<i>N,N</i>')ruthenium(II) bis(tetrafluoroborate) monohydrate
Acta Crystallographica Section C
58(1)
(2002)
m56-m58 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,445 | 7.521 | 0.0007 | 10.6669 | 0.0009 | 13.3202 | 0.0009 | 80.185 | 0.006 | 82.009 | 0.007 | 75.147 | 0.007 | 1,012.69 | 0.15 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C7 H12 Hg Mn N10 O3 S4 - | - C7 H12 Hg Mn N10 O3 S4 - | - C14 H24 Hg2 Mn2 N20 O6 S8 - | 2 | 1 | OB1045 | Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong | Poly[[[tri(urea-κ<i>O</i>)manganese(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>-mercury(II)]-tri-μ-tetrathiocyanato] | Acta Crystallographica Section C | 2,002 | 58 | 1 | m36 | m38 | 10.1107/S010827010101719X | 0.71073 | MoKα | 0.0321 | 0.0274 | null | 0.0696 | null | 0.0646 | null | null | 1.023 | null | null | 1.038 | null | null | has coordinates,has disorder | Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong
Poly[[[tri(urea-κ<i>O</i>)manganese(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>-mercury(II)]-tri-μ-tetrathiocyanato]
Acta Crystallographica Section C
58(1)
(2002)
m36-m38 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/24/2012445.cif $
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2,012,446 | 12.6014 | 0.0014 | 3.7706 | 0.0004 | 6.274 | 0.0007 | 90 | null | 90 | null | 90 | null | 298.11 | 0.06 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | - Cl H2 O2 Sm - | - Cl H2 O2 Sm - | - Cl4 H8 O8 Sm4 - | 4 | 0.5 | OS1144 | Jouve, Cyril; Marrot, Jerome; Riou, Didier | β-Sm(OH)~2~Cl: a new lamellar variety | Acta Crystallographica Section C | 2,002 | 58 | 1 | i14 | i15 | 10.1107/S0108270101016882 | 0.71073 | MoKα | 0.0356 | 0.0254 | null | null | 0.0554 | 0.06 | null | null | null | null | null | 1.118 | null | null | has coordinates,has Fobs | Jouve, Cyril; Marrot, Jerome; Riou, Didier
β-Sm(OH)~2~Cl: a new lamellar variety
Acta Crystallographica Section C
58(1)
(2002)
i14-i15 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,012,447 | 8.1365 | 0.0004 | 12.5177 | 0.0006 | 15.7558 | 0.0008 | 93.054 | 0.001 | 97.494 | 0.001 | 98.03 | 0.001 | 1,571.24 | 0.13 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Bis(pyridine-2,6-dimethanol)cobalt(II) disaccharinate dihydrate | - C28 H30 Co N4 O12 S2 - | - C28 H30 Co N4 O12 S2 - | - C56 H60 Co2 N8 O24 S4 - | 2 | 1 | OS1148 | Andac, Omer; Guney, Serkan; Topcu, Yildiray; Yilmaz, Veysel T.; Harrison, William T. A. | Bis(pyridine-2,6-dimethanol-<i>N</i>,<i>O</i>,<i>O</i>')cobalt(II) and -copper(II) disaccharinate dihydrate: three-dimensional structures with extensive hydrogen bonds and aromatic π–π-stacking interactions | Acta Crystallographica Section C | 2,002 | 58 | 1 | m17 | m20 | 10.1107/S0108270101018807 | 0.71073 | MoKα | 0.051 | 0.035 | null | null | 0.088 | 0.094 | null | null | null | null | null | 1.002 | null | null | has coordinates,has Fobs | Andac, Omer; Guney, Serkan; Topcu, Yildiray; Yilmaz, Veysel T.; Harrison, William T. A.
Bis(pyridine-2,6-dimethanol-<i>N</i>,<i>O</i>,<i>O</i>')cobalt(II) and -copper(II) disaccharinate dihydrate: three-dimensional structures with extensive hydrogen bonds and aromatic π–π-stacking interactions
Acta Crystallographica Se... | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,448 | 8.1544 | 0.0004 | 12.4805 | 0.0005 | 15.751 | 0.0007 | 93.195 | 0.001 | 97.501 | 0.001 | 97.877 | 0.001 | 1,569.85 | 0.12 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Bis(pyridine-2,6-dimethanol)copper(II) disaccharinate dihydrate | - C28 H30 Cu N4 O12 S2 - | - C28 H30 Cu N4 O12 S2 - | - C56 H60 Cu2 N8 O24 S4 - | 2 | 1 | OS1148 | Andac, Omer; Guney, Serkan; Topcu, Yildiray; Yilmaz, Veysel T.; Harrison, William T. A. | Bis(pyridine-2,6-dimethanol-<i>N</i>,<i>O</i>,<i>O</i>')cobalt(II) and -copper(II) disaccharinate dihydrate: three-dimensional structures with extensive hydrogen bonds and aromatic π–π-stacking interactions | Acta Crystallographica Section C | 2,002 | 58 | 1 | m17 | m20 | 10.1107/S0108270101018807 | 0.71073 | MoKα | 0.056 | 0.035 | null | null | 0.083 | 0.09 | null | null | null | null | null | 0.944 | null | null | has coordinates,has Fobs | Andac, Omer; Guney, Serkan; Topcu, Yildiray; Yilmaz, Veysel T.; Harrison, William T. A.
Bis(pyridine-2,6-dimethanol-<i>N</i>,<i>O</i>,<i>O</i>')cobalt(II) and -copper(II) disaccharinate dihydrate: three-dimensional structures with extensive hydrogen bonds and aromatic π–π-stacking interactions
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2,012,449 | 7.2679 | 0.0003 | 15.0351 | 0.0007 | 13.3607 | 0.0006 | 90 | null | 91.921 | 0.001 | 90 | null | 1,459.15 | 0.11 | 183 | 2 | 183 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Barium(II)-2,4-dinitrophenolate-18-Crown-6 | - C24 H30 Ba N4 O16 - | - C24 H30 Ba N4 O16 - | - C48 H60 Ba2 N8 O32 - | 2 | 0.5 | SK1500 | Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun | Barium(II)–2,4-dinitrophenolate–18-crown-6 at 183K | Acta Crystallographica Section C | 2,002 | 58 | 1 | m45 | m47 | 10.1107/S0108270101018339 | 0.71073 | MoKα | 0.044 | 0.0381 | null | null | 0.1035 | 0.1206 | null | null | null | null | null | 1.036 | null | null | has coordinates,has Fobs | Usman, Anwar; Chantrapromma, Suchada; Fun, Hoong-Kun
Barium(II)–2,4-dinitrophenolate–18-crown-6 at 183K
Acta Crystallographica Section C
58(1)
(2002)
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2,012,450 | 10.3705 | 0.0018 | 14.903 | 0.002 | 20.375 | 0.004 | 90 | null | 90 | null | 90 | null | 3,149 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P b c n | -P 2n 2ab | 60 | μ~4~-oxo-hexa-μ-chloro-tetrakis[(2-methyl-2-thiazoline)copper(II)] | - C16 H28 Cl6 Cu4 N4 O S4 - | - C16 H28 Cl6 Cu4 N4 O S4 - | - C64 H112 Cl24 Cu16 N16 O4 S16 - | 4 | 0.5 | SK1502 | Bolos, C. A.; Christidis, P. C. | Hexa-μ-chloro-μ~4~-oxo-tetrakis[(4,5-dihydro-2-methyl-1,2-thiazole-κ<i>N</i>)copper(II)] | Acta Crystallographica Section C | 2,002 | 58 | 1 | m29 | m30 | 10.1107/S0108270101016870 | 0.7107 | MoKα | 0.1708 | 0.0635 | null | null | 0.1033 | 0.127 | null | null | null | null | null | 0.901 | null | null | has coordinates | Bolos, C. A.; Christidis, P. C.
Hexa-μ-chloro-μ~4~-oxo-tetrakis[(4,5-dihydro-2-methyl-1,2-thiazole-κ<i>N</i>)copper(II)]
Acta Crystallographica Section C
58(1)
(2002)
m29-m30 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,012,451 | 28.049 | 0.007 | 31.198 | 0.008 | 3.727 | 0.001 | 90 | null | 90 | null | 90 | null | 3,261.4 | 1.5 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | F d d 2 | F 2 -2d | 43 | nitroxoline | 8-hydroxy-5-nitroquinoline | - C9 H6 N2 O3 - | - C9 H6 N2 O3 - | - C144 H96 N32 O48 - | 16 | 1 | SK1513 | Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H. | Powder diffraction study of the hydrogen bonds in nitroxoline and its hydrochloride | Acta Crystallographica Section C | 2,002 | 58 | 1 | o19 | o21 | 10.1107/S0108270101018224 | 1.5418 | CuKα | null | null | null | null | null | null | null | null | 2.104 | null | null | null | null | null | has coordinates | Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H.
Powder diffraction study of the hydrogen bonds in nitroxoline and its hydrochloride
Acta Crystallographica Section C
58(1)
(2002)
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2,012,452 | 7.566 | 0.004 | 7.467 | 0.004 | 16.334 | 0.007 | 90 | null | 92.49 | 0.03 | 90 | null | 921.9 | 0.8 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 8-hydroxy-5-nitroquinolinium chloride | - C9 H7 Cl N2 O3 - | - C9 H7 Cl N2 O3 - | - C36 H28 Cl4 N8 O12 - | 4 | 1 | SK1513 | Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H. | Powder diffraction study of the hydrogen bonds in nitroxoline and its hydrochloride | Acta Crystallographica Section C | 2,002 | 58 | 1 | o19 | o21 | 10.1107/S0108270101018224 | 1.5418 | CuKα | null | null | null | null | null | null | null | null | 1.85 | null | null | null | null | null | has coordinates | Yatsenko, A. V.; Paseshnichenko, K. A.; Chernyshev, V. V.; Schenk, H.
Powder diffraction study of the hydrogen bonds in nitroxoline and its hydrochloride
Acta Crystallographica Section C
58(1)
(2002)
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2,012,453 | 10.619 | 0.002 | 16.605 | 0.003 | 11.966 | 0.002 | 90 | null | 104.67 | 0.03 | 90 | null | 2,041.2 | 0.7 | 193 | 2 | 193 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C29 H20 S2 - | - C29 H20 S2 - | - C116 H80 S8 - | 4 | 1 | SK1514 | Kansikas, Jarno; Sipilä, Kaija | An anthracene dimer with a fused 1,3-dithiole ring at 193K | Acta Crystallographica Section C | 2,002 | 58 | 1 | o16 | o18 | 10.1107/S0108270101016985 | 1.5418 | CuKα | 0.0495 | 0.0414 | null | null | 0.1073 | 0.1129 | null | null | null | null | null | 1.044 | null | null | has coordinates,has Fobs | Kansikas, Jarno; Sipilä, Kaija
An anthracene dimer with a fused 1,3-dithiole ring at 193K
Acta Crystallographica Section C
58(1)
(2002)
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2,012,454 | 9.6393 | 0.0004 | 11.4219 | 0.0005 | 17.7338 | 0.001 | 76.768 | 0.0018 | 87.458 | 0.0017 | 74.064 | 0.003 | 1,827.24 | 0.15 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,2-bis(4'-pyridyl)ethene (1/1) | - C48 H40 Fe N2 O2 - | - C48 H40 Fe N2 O2 - | - C96 H80 Fe2 N4 O4 - | 2 | 1 | SK1515 | Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher | Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and polymeric adducts with 1,2-bis(4-pyridyl)ethene and 1,6-diaminohexane | Acta Crystallographica Section C | 2,002 | 58 | 1 | m1 | m4 | 10.1107/S0108270101017152 | 0.71073 | MoKα | 0.0815 | 0.05 | null | null | 0.1107 | 0.1251 | null | null | null | null | null | 1.029 | null | null | has coordinates,has disorder,has Fobs | Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and polymeric adducts with 1,2-bis(4-pyridyl)ethene and 1,6-diaminohexane
Acta Crystallographica Section C
58(1)
(2002)
m1-m4 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,012,455 | 10.2027 | 0.0002 | 11.7067 | 0.0002 | 14.6172 | 0.0003 | 84.978 | 0.0009 | 70.2454 | 0.0008 | 70.3612 | 0.0008 | 1,546.88 | 0.05 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,6-diaminohexane | - C78 H76 Fe2 N2 O4 - | - C78 H76 Fe2 N2 O4 - | - C78 H76 Fe2 N2 O4 - | 1 | 0.5 | SK1515 | Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher | Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and polymeric adducts with 1,2-bis(4-pyridyl)ethene and 1,6-diaminohexane | Acta Crystallographica Section C | 2,002 | 58 | 1 | m1 | m4 | 10.1107/S0108270101017152 | 0.71073 | MoKα | 0.037 | 0.0315 | null | null | 0.078 | 0.0817 | null | null | null | null | null | 1.028 | null | null | has coordinates,has Fobs | Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and polymeric adducts with 1,2-bis(4-pyridyl)ethene and 1,6-diaminohexane
Acta Crystallographica Section C
58(1)
(2002)
m1-m4 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,012,456 | 10.2076 | 0.0002 | 10.6559 | 0.0002 | 10.9341 | 0.0002 | 100.992 | 0.0016 | 109.453 | 0.0014 | 101.67 | 0.0011 | 1,054.49 | 0.04 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1,2-Bis(4'-pyridyl)ethane–1,1,1-tris(4-hydroxyphenyl)ethane (1/2) | - C52 H48 N2 O6 - | - C52 H48 N2 O6 - | - C52 H48 N2 O6 - | 1 | 0.5 | SK1516 | Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher | Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with 1,2-bis(4-pyridyl)ethane and 1,2-bis(4-pyridyl)ethene: continuously interwoven structures in three dimensions | Acta Crystallographica Section C | 2,002 | 58 | 1 | o1 | o5 | 10.1107/S0108270101017139 | 0.71073 | MoKα | 0.0564 | 0.0439 | null | null | 0.1136 | 0.1226 | null | null | null | null | null | 1.094 | null | null | has coordinates,has Fobs | Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with 1,2-bis(4-pyridyl)ethane and 1,2-bis(4-pyridyl)ethene: continuously interwoven structures in three dimensions
Acta Crystallographica Section C
58(1)
(2002)
o1-o5 | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,457 | 11.8264 | 0.0009 | 14.2158 | 0.0009 | 16.8109 | 0.0012 | 90 | null | 90 | null | 90 | null | 2,826.3 | 0.3 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 1,2-Bis(4'-pyridyl)ethene–1,1,1-tris(4-hydroxyphenyl)ethane–methanol (1/1/1) | - C33 H32 N2 O4 - | - C33 H32 N2 O4 - | - C132 H128 N8 O16 - | 4 | 1 | SK1516 | Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher | Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with 1,2-bis(4-pyridyl)ethane and 1,2-bis(4-pyridyl)ethene: continuously interwoven structures in three dimensions | Acta Crystallographica Section C | 2,002 | 58 | 1 | o1 | o5 | 10.1107/S0108270101017139 | 0.71073 | MoKα | 0.1006 | 0.0566 | null | null | 0.1226 | 0.1486 | null | null | null | null | null | 1.075 | null | null | has coordinates,has Fobs | Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with 1,2-bis(4-pyridyl)ethane and 1,2-bis(4-pyridyl)ethene: continuously interwoven structures in three dimensions
Acta Crystallographica Section C
58(1)
(2002)
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2,012,458 | 7.2907 | 0.0003 | 8.3423 | 0.0004 | 8.4324 | 0.0004 | 96.406 | 0.002 | 106.359 | 0.002 | 90.43 | 0.003 | 488.63 | 0.04 | 150 | 2 | 150 | 12 | null | null | null | null | 4 | P -1 | -P 1 | 2 | N,N'-Dimethylpiperazine–tartaric acid–water (1/2/2) | - C14 H30 N2 O14 - | - C14 H30 N2 O14 - | - C14 H30 N2 O14 - | 1 | 0.5 | SK1517 | Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher | A structural hierarchy in the hydrogen-bonded adduct <i>N</i>,<i>N</i>'-dimethylpiperazine–tartaric acid–water (1/2/2): an <i>N</i>-component <i>N</i>-dimensional structure (<i>N</i>~= 3) with substructures having <i>N</i> = 1 and 2 | Acta Crystallographica Section C | 2,002 | 58 | 1 | o6 | o8 | 10.1107/S0108270101017449 | 0.71073 | MoKα | 0.0611 | 0.04 | null | null | 0.0974 | 0.1087 | null | null | null | null | null | 1.034 | null | null | has coordinates,has Fobs | Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
A structural hierarchy in the hydrogen-bonded adduct <i>N</i>,<i>N</i>'-dimethylpiperazine–tartaric acid–water (1/2/2): an <i>N</i>-component <i>N</i>-dimensional structure (<i>N</i>~= 3) with substructures having <i>N</i> = 1 and 2
Acta Cr... | 301,798 | 2025-08-19 | 6:41:50 | #------------------------------------------------------------------------------
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2,012,459 | 7.3982 | 0.0011 | 31.854 | 0.005 | 9.516 | 0.002 | 90 | null | 94.608 | 0.017 | 90 | null | 2,235.3 | 0.7 | 294 | 1 | 296 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | TCPI-TTF | 2-[3-(1-cyano-2-nitriloethylidene)-2-prop-2-enyl-2,3-dihydro- 1H-isoindol-1-yliden]propanedinitrile tetrathiafulvalene (1:1) | - C23 H13 N5 S4 - | - C23 H13 N5 S4 - | - C92 H52 N20 S16 - | 4 | 1 | SK1518 | Crean, Colm; Gallagher, John F.; Pratt, Albert C. | 2,2'-[2,3-Dihydro-2-(prop-2-enyl)-1<i>H</i>-isoindole-1,3-diylidene]bis(propanedinitrile)–tetrathiafulvalene (1/1), TCPI–TTF | Acta Crystallographica Section C | 2,002 | 58 | 1 | o36 | o38 | 10.1107/S0108270101017632 | 0.71073 | MolybdenumKα | 0.06 | 0.045 | null | null | 0.11 | 0.121 | null | null | null | null | null | 1.09 | null | null | has coordinates,has Fobs | Crean, Colm; Gallagher, John F.; Pratt, Albert C.
2,2'-[2,3-Dihydro-2-(prop-2-enyl)-1<i>H</i>-isoindole-1,3-diylidene]bis(propanedinitrile)–tetrathiafulvalene (1/1), TCPI–TTF
Acta Crystallographica Section C
58(1)
(2002)
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