file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,006,422 | 34.25 | 0.003 | 9.134 | 0.001 | 13.819 | 0.001 | 90 | null | 112.7 | 0.1 | 90 | null | 3,988 | 3 | 298 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C19 H31 N5 O2 - | - C19 H30 N5 O1.5 - | - C152 H240 N40 O12 - | 8 | 1 | PT1043 | Gunasekaran, K.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Rajendran, T. M.; Kandaswamy, M. | 4-Hydroxy-2,6-bis[(4-methylpiperazinyl)methyl]benzonitrile Monohydrate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1116 | 1117 | 10.1107/S010827019700214X | 1.5418 | CuKα | null | 0.06 | null | null | 0.082 | null | null | null | null | 0.878 | 0.878 | null | null | null | has coordinates | Gunasekaran, K.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Rajendran, T. M.; Kandaswamy, M.
4-Hydroxy-2,6-bis[(4-methylpiperazinyl)methyl]benzonitrile Monohydrate
Acta Crystallographica Section C
53(8)
(1997)
1116-1117 | 194,474 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-03-24 12:00:48 +0200 (Fri, 24 Mar 2017) $
#$Revision: 194474 $
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2,006,423 | 4.093 | 0.001 | 11.438 | 0.002 | 12.365 | 0.002 | 90 | null | 90.73 | 0.03 | 90 | null | 578.8 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C6 H14 N8 O4 - | - C6 H14 N8 O4 - | - C12 H28 N16 O8 - | 2 | 0.5 | QA0006 | Kolev, Tsonko; .; Glavcheva, Zornitza; .; Stahl, Rainer; .; Preut, Hans; .; Bleckmann, Paul; .; Radomirska, Valentina; . | Aminoguanidinium Squarate | Acta Crystallographica Section C | 1,997 | 53 | 8 | IUC9700010 | 10.1107/S0108270197099460 | 0.56086 | AgKα | 0.0559 | 0.034 | null | 0.0924 | 0.0819 | null | null | null | 1.033 | 1.097 | 1.097 | null | null | null | has coordinates | Kolev, Tsonko; .; Glavcheva, Zornitza; .; Stahl, Rainer; .; Preut, Hans; .; Bleckmann, Paul; .; Radomirska, Valentina; .
Aminoguanidinium Squarate
Acta Crystallographica Section C
53(8)
(1997)
IUC9700010 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006423.cif $
#-------------------------------------------------------------------... | ||||||||||||
2,006,424 | 12.015 | 0.003 | 9.8464 | 0.0015 | 14.912 | 0.002 | 90 | null | 90 | null | 90 | null | 1,764.2 | 0.6 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 4-Thia-5,11-dioxatricyclo[6.2.1.0^3.8^]undec-9-en-4,4-dione | - C8 H10 O4 S - | - C8 H10 O4 S - | - C64 H80 O32 S8 - | 8 | 1 | QA0008 | Ferguson, George; Schwan, Adrian L.; Kalin, Mark L.; Snelgrove, Jennifer L. | 5,11-Dioxa-4-thiatricyclo[6.2.1.0^3,8^]undec-9-ene 4,4-Dioxide | Acta Crystallographica Section C | 1,997 | 53 | 8 | IUC9700009 | 10.1107/S0108270197099472 | 0.7107 | MolybdenumKα | 0.1175 | 0.052 | null | null | 0.1128 | 0.129 | null | null | null | null | null | 0.958 | null | null | has coordinates,has Fobs | Ferguson, George; Schwan, Adrian L.; Kalin, Mark L.; Snelgrove, Jennifer L.
5,11-Dioxa-4-thiatricyclo[6.2.1.0^3,8^]undec-9-ene 4,4-Dioxide
Acta Crystallographica Section C
53(8)
(1997)
IUC9700009 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006424.cif $
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2,006,425 | 8.533 | 0.001 | 12.044 | 0.001 | 13.67 | 0.003 | 91.85 | 0.01 | 92.11 | 0.01 | 100.93 | 0.01 | 1,377.4 | 0.4 | 218 | null | 218 | null | null | null | null | null | 2 | P -1 | -P 1 | 2 | - C16 H24 - | - C16 H24 - | - C64 H96 - | 4 | 2 | SK1013 | Irngartinger, Hermann; Strack, Stefan; Gleiter, Rolf; Brand, Stefan | Octamethylcuneane and Octamethylcubane: the First X-ray Crystal Structure of a Cuneane | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1145 | 1148 | 10.1107/S0108270197003740 | 0.71073 | MoKα | 0.128 | 0.048 | null | null | 0.117 | null | null | null | null | 2.446 | 2.446 | null | null | null | has coordinates | Irngartinger, Hermann; Strack, Stefan; Gleiter, Rolf; Brand, Stefan
Octamethylcuneane and Octamethylcubane: the First X-ray Crystal Structure of a Cuneane
Acta Crystallographica Section C
53(8)
(1997)
1145-1148 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006425.cif $
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2,230,201 | 12.889 | 0.003 | 10.931 | 0.002 | 19.309 | 0.006 | 90 | null | 123.34 | 0.02 | 90 | null | 2,272.7 | 1.1 | 153 | 2 | 153 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Bis[(2-pyridyl)(2-pyridylamino)methanolato]manganese(III) nitrate | - C22 H20 Mn N7 O5 - | - C22 H20 Mn N7 O5 - | - C88 H80 Mn4 N28 O20 - | 4 | 1 | ZK2005 | Ding, Shuai; Xia, Congjun; Ji, Yufei; Liu, Zhiliang; Ding, Yong | Bis[(2-pyridyl)(2-pyridylamino)methanolato]manganese(III) nitrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m622 | m623 | 10.1107/S1600536811014371 | 0.71073 | MoKα | 0.0624 | 0.0512 | null | null | 0.1543 | 0.1664 | null | null | null | null | null | 1.066 | null | null | has coordinates,has Fobs | Ding, Shuai; Xia, Congjun; Ji, Yufei; Liu, Zhiliang; Ding, Yong
Bis[(2-pyridyl)(2-pyridylamino)methanolato]manganese(III) nitrate
Acta Crystallographica Section E
67(5)
(2011)
m622-m623 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/02/2230201.cif $
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2,006,426 | 8.562 | 0.001 | 8.562 | null | 16.833 | 0.001 | 90 | null | 90 | null | 120 | null | 1,068.67 | 0.14 | 238 | null | 238 | null | null | null | null | null | 2 | R -3 m :H | -R 3 2" | 166 | - C16 H24 - | - C16 H24 - | - C48 H72 - | 3 | 0.083333 | SK1013 | Irngartinger, Hermann; Strack, Stefan; Gleiter, Rolf; Brand, Stefan | Octamethylcuneane and Octamethylcubane: the First X-ray Crystal Structure of a Cuneane | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1145 | 1148 | 10.1107/S0108270197003740 | 0.71073 | MoKα | 0.0512 | 0.037 | null | 0.093 | 0.088 | null | null | null | 1.011 | 1.12 | 1.12 | null | null | null | has coordinates | Irngartinger, Hermann; Strack, Stefan; Gleiter, Rolf; Brand, Stefan
Octamethylcuneane and Octamethylcubane: the First X-ray Crystal Structure of a Cuneane
Acta Crystallographica Section C
53(8)
(1997)
1145-1148 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006426.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,427 | 9.3767 | 0.0014 | 10.6508 | 0.0008 | 15.825 | 0.002 | 90 | null | 90 | null | 90 | null | 1,580.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | methyl 2-O-α-D-mannopyranosyl-β-D-glucopyranoside. | - C13 H24 O11 - | - C13 H24 O11 - | - C52 H96 O44 - | 4 | 1 | SK1034 | Eriksson, Lars; Stenutz, Roland; Widmalm, Gőran | Methyl 2-<i>O</i>-α-<small>D</small>-Mannopyranosyl-β-<small>D</small>-glucopyranoside | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1105 | 1107 | 10.1107/S0108270197004769 | 1.54184 | CuKα | 0.036 | 0.0329 | null | 0.0801 | null | null | null | null | 1.05 | 1.05 | 1.05 | null | null | null | has coordinates | Eriksson, Lars; Stenutz, Roland; Widmalm, Gőran
Methyl 2-<i>O</i>-α-<small>D</small>-Mannopyranosyl-β-<small>D</small>-glucopyranoside
Acta Crystallographica Section C
53(8)
(1997)
1105-1107 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006427.cif $
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2,006,428 | 29.608 | 0.002 | 23.6935 | 0.0009 | 11.8195 | 0.0005 | 90 | null | 90 | null | 90 | null | 8,291.6 | 0.7 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | C m c a | -C 2ac 2 | 64 | Tetramethylammonium Bis(coumarin-3-carboxylato)triphenylstannate Ethanol Solvate | - C44 H43 N O9 Sn - | - C44 H44 N O9 Sn - | - C352 H352 N8 O72 Sn8 - | 8 | null | SK1052 | Ng, Seik Weng; Kumar Das, V.G. | Tetramethylammonium Bis(coumarin-3-carboxylato)triphenylstannate Ethanol Solvate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1034 | 1036 | 10.1107/S0108270197004307 | 0.71073 | MoKα | 0.0625 | 0.0355 | null | 0.0991 | 0.089 | null | null | null | 0.997 | 1.125 | 1.125 | null | null | null | has coordinates,has disorder | Ng, Seik Weng; Kumar Das, V.G.
Tetramethylammonium Bis(coumarin-3-carboxylato)triphenylstannate Ethanol Solvate
Acta Crystallographica Section C
53(8)
(1997)
1034-1036 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006428.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,429 | 9.349 | 0.002 | 11.853 | 0.003 | 13.548 | 0.004 | 77.92 | 0.02 | 69.7 | 0.02 | 68.38 | 0.02 | 1,303.3 | 0.6 | 294 | null | 294 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | [7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato]-bis(pyridine) nickel(II) | - C60 H42 N10 Ni O2 - | - C60 H42 N10 Ni O2 - | - C60 H42 N10 Ni O2 - | 1 | 0.5 | SK1059 | Duval, Hugues; Bulach, Véronique; Fischer, Jean; Weiss, Raymond | Bis(pyridine-<i>N</i>)(7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato)nickel(II) Dimethanol Solvate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1027 | 1029 | 10.1107/S0108270197003995 | 0.71073 | MoKα | 0.059 | 0.049 | null | null | 0.074 | null | null | null | null | 1.651 | 1.651 | null | null | null | has coordinates | Duval, Hugues; Bulach, Véronique; Fischer, Jean; Weiss, Raymond
Bis(pyridine-<i>N</i>)(7,8,17,18-tetracyano-5,10,15,20-tetraphenylporphyrinato)nickel(II) Dimethanol Solvate
Acta Crystallographica Section C
53(8)
(1997)
1027-1029 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006429.cif $
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2,230,200 | 14.745 | 0.002 | 6.796 | 0.0012 | 15.183 | 0.003 | 90 | null | 94.543 | 0.002 | 90 | null | 1,516.7 | 0.5 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | <i>catena</i>-Poly[[octaaquabis(μ~4~-benzene-1,3,5-tricarboxylato)trizinc] tetrahydrate] | - C18 H30 O24 Zn3 - | - C18 H30 O24 Zn3 - | - C36 H60 O48 Zn6 - | 2 | 0.5 | ZK2004 | Sun, Lin; Qiu, Tao Run; Deng, Hong | <i>catena</i>-Poly[[octaaquabis(μ~4~-benzene-1,3,5-tricarboxylato)trizinc] tetrahydrate] | Acta Crystallographica Section E | 2,011 | 67 | 5 | m630 | m631 | 10.1107/S160053681101436X | 0.71073 | MoKα | 0.0849 | 0.0642 | null | null | 0.21 | 0.2247 | null | null | null | null | null | 1.132 | null | null | has coordinates,has Fobs | Sun, Lin; Qiu, Tao Run; Deng, Hong
<i>catena</i>-Poly[[octaaquabis(μ~4~-benzene-1,3,5-tricarboxylato)trizinc] tetrahydrate]
Acta Crystallographica Section E
67(5)
(2011)
m630-m631 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/02/2230200.cif $
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2,006,430 | 15.7566 | 0.0009 | 15.9146 | 0.0009 | 9.5363 | 0.0007 | 90 | null | 106.854 | 0.005 | 90 | null | 2,288.6 | 0.3 | 200 | 2 | 200 | 2 | null | null | null | null | 5 | C 1 2 1 | C 2y | 5 | Carbazole-barium-pentakis(THF)-THF | - C48 H64 Ba N2 O6 - | - C48 H64 Ba N2 O6 - | - C96 H128 Ba2 N4 O12 - | 2 | 0.5 | SK1064 | Näther, Christian; Hauck, Tim; Bock, Hans | Pentakis(tetrahydrofuran)barium Bis(carbazolate) Tetrahydrofuran Solvate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1061 | 1063 | 10.1107/S0108270197003363 | 0.71073 | MoKα | 0.0233 | 0.0233 | null | 0.0564 | 0.0564 | null | null | null | 1.148 | 1.147 | 1.147 | null | null | null | has coordinates,has disorder | Näther, Christian; Hauck, Tim; Bock, Hans
Pentakis(tetrahydrofuran)barium Bis(carbazolate) Tetrahydrofuran Solvate
Acta Crystallographica Section C
53(8)
(1997)
1061-1063 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006430.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,431 | 4.934 | 0.002 | 7.422 | 0.001 | 48.561 | 0.001 | 90 | 0.01 | 90 | 0.02 | 90 | 0.02 | 1,778.3 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | N-Dodecanoyl-L-Serine | - C15 H31 N O5 - | - C15 H31 N O5 - | - C60 H124 N4 O20 - | 4 | 1 | SK1078 | Schade, Boris; Fuhrhop, Jürgen-Hinrich; Hubert, Vera; Weber, Manuela; Luger, Peter | Hydrogen-Bonding Networks Involving Water in Amphiphilic <i>N</i>-Dodecanoyl-<small>L</small>-serine Monohydrate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1070 | 1073 | 10.1107/S0108270197004903 | 1.5418 | Ni-filteredCuKα | 0.0558 | 0.0336 | null | 0.0883 | 0.0787 | null | null | null | 1.091 | 1.097 | 1.097 | null | null | null | has coordinates | Schade, Boris; Fuhrhop, Jürgen-Hinrich; Hubert, Vera; Weber, Manuela; Luger, Peter
Hydrogen-Bonding Networks Involving Water in Amphiphilic <i>N</i>-Dodecanoyl-<small>L</small>-serine Monohydrate
Acta Crystallographica Section C
53(8)
(1997)
1070-1073 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006431.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,432 | 10.3727 | 0.0008 | 16.812 | 0.002 | 9.496 | 0.005 | 90 | null | 92.585 | 0.014 | 90 | null | 1,654.3 | 0.9 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Authors naming system: catena-poly[{diaqua(furancarboxylato-O,O')lanthanum-bis-μ-furancarboxylato- O, O':O;O:O,O'-diaqua(furancarboxylato-O,O')lanthanum}-μ-furancarboxylato- O:O';O:O'] | - C15 H13 La O11 - | - C15 H9 La O11 - | - C60 H36 La4 O44 - | 4 | 1 | SK1088 | Li, Xia; Chen, Xue-An; Zhao, Ling; Chen, Ben-Ming | <i>catena</i>-Diaquatris(α-furancarboxylato)lanthanum(III) | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1015 | 1017 | 10.1107/S0108270197004022 | 0.71073 | MoKα | null | 0.0373 | null | null | 0.0997 | null | null | null | null | 1.149 | 1.149 | null | null | null | has coordinates | Li, Xia; Chen, Xue-An; Zhao, Ling; Chen, Ben-Ming
<i>catena</i>-Diaquatris(α-furancarboxylato)lanthanum(III)
Acta Crystallographica Section C
53(8)
(1997)
1015-1017 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006432.cif $
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2,006,433 | 10.0301 | 0.0006 | 11.7403 | 0.0007 | 11.766 | 0.0007 | 95.559 | 0.005 | 90.617 | 0.005 | 97.323 | 0.005 | 1,367.38 | 0.14 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea | - C14 H17 N3 O2 - | - C14 H17 N3 O2 - | - C56 H68 N12 O8 - | 4 | 2 | SK1102 | Frydenvang, Karla; Larsen, Ingrid Kjøller | 1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1091 | 1093 | 10.1107/S0108270197004617 | 1.54184 | CuKα | 0.0703 | 0.04 | null | 0.1171 | null | 0.1048 | null | null | 0.973 | null | null | 1.075 | null | null | has coordinates | Frydenvang, Karla; Larsen, Ingrid Kjøller
1-(1-Cyanocyclohexyl)-1-hydroxy-3-phenylurea
Acta Crystallographica Section C
53(8)
(1997)
1091-1093 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006433.cif $
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2,006,434 | 7.393 | 0.001 | 8.827 | 0.002 | 19.907 | 0.003 | 90 | null | 90 | null | 90 | null | 1,299.1 | 0.4 | 122 | 2 | 122 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | (-)(R)-5,5-Dimethylmorpholinyl-2-Acetic Acid Ethyl Ester Hydrochloride | - C10 H20 Cl N O3 - | - C10 H20 Cl N O3 - | - C40 H80 Cl4 N4 O12 - | 4 | 1 | SK1104 | Frydenvang, Karla; Enna, Sam J.; Krogsgaard-Larsen, Povl | ({-})-(<i>R</i>)-5,5-Dimethylmorpholinyl-2-acetic Acid Ethyl Ester Hydrochloride, C~10~H~20~NO~3~^+^.Cl^{-^} | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1088 | 1091 | 10.1107/S0108270197004290 | 1.5418 | CuKα | 0.0276 | 0.027 | null | 0.0758 | null | 0.0752 | null | null | 1.082 | null | null | 1.087 | null | null | has coordinates | Frydenvang, Karla; Enna, Sam J.; Krogsgaard-Larsen, Povl
({-})-(<i>R</i>)-5,5-Dimethylmorpholinyl-2-acetic Acid Ethyl Ester Hydrochloride, C~10~H~20~NO~3~^+^.Cl^{-^}
Acta Crystallographica Section C
53(8)
(1997)
1088-1091 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006434.cif $
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2,006,435 | 7.529 | 0.002 | 13.278 | 0.002 | 20.457 | 0.003 | 90 | null | 92.14 | 0.02 | 90 | null | 2,043.7 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C40 H52 Cl4 Cu2 N4 O4 - | - C40 H52 Cl4 Cu2 N4 O4 - | - C80 H104 Cl8 Cu4 N8 O8 - | 2 | 0.5 | TA1126 | Ahn, Tae-Ho; Lee, Sueg-Geun; Kim, Jeong; Kim, Si-Joong; Suh, Il-Hwan | Di-μ-chloro-bis[chloro(6,7,8,9,10,11,18,19-octahydro-5<i>H</i>,17<i>H</i>-dibenzo[<i>f</i>,<i>o</i>][1,5,9,13]dioxadiazacyclohexadecane)copper(II)] | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1020 | 1022 | 10.1107/S0108270197004496 | 0.71069 | MoKα | 0.0724 | 0.0495 | null | 0.0996 | 0.0893 | null | null | null | 1.062 | 1.103 | 1.103 | null | null | null | has coordinates | Ahn, Tae-Ho; Lee, Sueg-Geun; Kim, Jeong; Kim, Si-Joong; Suh, Il-Hwan
Di-μ-chloro-bis[chloro(6,7,8,9,10,11,18,19-octahydro-5<i>H</i>,17<i>H</i>-dibenzo[<i>f</i>,<i>o</i>][1,5,9,13]dioxadiazacyclohexadecane)copper(II)]
Acta Crystallographica Section C
53(8)
(1997)
1020-1022 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,230,199 | 10.2688 | 0.0003 | 14.7128 | 0.0004 | 25.08 | 0.0007 | 90 | null | 97.23 | 0.002 | 90 | null | 3,759.03 | 0.18 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Triethylammonium bis{2-[(2-oxido-5-nitrobenzylidene)amino]benzoato}ferrate(III) monohydrate | - C34 H32 Fe N5 O11 - | - C34 H32 Fe N5 O11 - | - C136 H128 Fe4 N20 O44 - | 4 | 1 | ZK2002 | Chygorin, Eduard N.; Petrusenko, Svetlana R.; Kokozay, Volodymyr N.; Smal, Yuri O.; Bon, Volodymyr V. | Triethylammonium bis{2-[(2-oxido-5-nitrobenzylidene)amino]benzoato}ferrate(III) monohydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m593 | m594 | 10.1107/S1600536811011196 | 0.71073 | MoKα | 0.0931 | 0.0814 | null | null | 0.2337 | 0.242 | null | null | null | null | null | 1.125 | null | null | has coordinates,has Fobs | Chygorin, Eduard N.; Petrusenko, Svetlana R.; Kokozay, Volodymyr N.; Smal, Yuri O.; Bon, Volodymyr V.
Triethylammonium bis{2-[(2-oxido-5-nitrobenzylidene)amino]benzoato}ferrate(III) monohydrate
Acta Crystallographica Section E
67(5)
(2011)
m593-m594 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230199.cif $
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2,006,436 | 7.0337 | 0.0002 | 8.3981 | 0.0002 | 37.9873 | 0.0011 | 90 | null | 90 | null | 90 | null | 2,243.9 | 0.11 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | estrone-3-glucuronide | 17-oxoestra-1,3,5(10)-triene-3-yl-b-D-glucopyranosiduronic acid hydrate | - C24 H32 O9 - | - C24 H29 O9 - | - C96 H116 O36 - | 4 | 1 | TA1138 | C. Mark Smales; Leonard F. Blackwell; Joyce M. Waters; Anthony K. Burrell | An Estrone‒Glucuronide Conjugate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1082 | 1084 | 10.1107/S0108270197004629 | 0.71073 | MoKα | 0.0636 | 0.0513 | null | 0.133 | 0.1135 | null | null | null | 1.132 | 1.156 | 1.156 | null | null | null | has coordinates | C. Mark Smales; Leonard F. Blackwell; Joyce M. Waters; Anthony K. Burrell
An Estrone‒Glucuronide Conjugate
Acta Crystallographica Section C
53(8)
(1997)
1082-1084 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
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2,006,437 | 8.364 | 0.002 | 12.684 | 0.003 | 12.224 | 0.002 | 90 | null | 92.36 | 0.03 | 90 | null | 1,295.7 | 0.5 | 294 | null | 294 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | S-methyl-(-N-(dimethylaminophenyl)-methylenedithiocarbazate | - C11 H15 N3 S2 - | - C11 H15 N3 S2 - | - C44 H60 N12 S8 - | 4 | 1 | TA1150 | Cun-Yuan Zhao; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Thomas C. W. Mak | <i>S</i>-Methyl β-<i>N</i>-[4-(Dimethylamino)benzylidene]dithiocarbazate | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1151 | 1153 | 10.1107/S0108270197004691 | 0.71073 | MoKα | 0.0561 | 0.0789 | null | 0.0803 | 0.0852 | null | null | null | 1.08 | null | null | null | null | null | has coordinates | Cun-Yuan Zhao; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Thomas C. W. Mak
<i>S</i>-Methyl β-<i>N</i>-[4-(Dimethylamino)benzylidene]dithiocarbazate
Acta Crystallographica Section C
53(8)
(1997)
1151-1153 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,438 | 9.28 | 0.05 | 9.83 | 0.04 | 15.24 | 0.1 | 90 | null | 93.24 | 0.1 | 90 | null | 1,388 | 13 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C16 H14 O2 S - | - C16 H14 O2 S - | - C64 H56 O8 S4 - | 4 | 1 | VJ1051 | Sriram, D.; Srinivasan, S.; Santhosh, K.C.; Balasubramanian, K.K. | 6-Methyl-3-phenylthiochroman-4-one and 6-Methoxy-3-phenylthiochroman-4-one: Configurational Preference of the Phenylthio Group at the Third Position due to Remote Substitution | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1073 | 1075 | 10.1107/S010827019700396X | 0.71073 | MoKα | 0.0608 | 0.0491 | null | 0.1305 | 0.1225 | null | null | null | 1.08 | 1.107 | 1.107 | null | null | null | has coordinates | Sriram, D.; Srinivasan, S.; Santhosh, K.C.; Balasubramanian, K.K.
6-Methyl-3-phenylthiochroman-4-one and 6-Methoxy-3-phenylthiochroman-4-one: Configurational Preference of the Phenylthio Group at the Third Position due to Remote Substitution
Acta Crystallographica Section C
53(8)
(1997)
1073-1075 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,198 | 10.4695 | 0.0016 | 9.0346 | 0.0011 | 28.361 | 0.003 | 90 | null | 90 | null | 90 | null | 2,682.6 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | Benzyl <i>N</i>-(3-chloro-4-fluorophenyl)carbamate | - C14 H11 Cl F N O2 - | - C14 H11 Cl F N O2 - | - C112 H88 Cl8 F8 N8 O16 - | 8 | 1 | ZJ2005 | Singh, Manavendra K.; Agarwal, Alka; Awasthi, Satish K. | Benzyl <i>N</i>-(3-chloro-4-fluorophenyl)carbamate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1137 | 10.1107/S1600536811012608 | 1.54184 | CuKα | 0.1109 | 0.0703 | null | null | 0.1739 | 0.2341 | null | null | null | null | null | 1.013 | null | null | has coordinates,has Fobs | Singh, Manavendra K.; Agarwal, Alka; Awasthi, Satish K.
Benzyl <i>N</i>-(3-chloro-4-fluorophenyl)carbamate
Acta Crystallographica Section E
67(5)
(2011)
o1137 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
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2,006,439 | 13.113 | 0.004 | 15.26 | 0.006 | 6.762 | 0.005 | 90 | null | 92.36 | 0.04 | 90 | null | 1,352 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C16 H14 O3 S - | - C16 H14 O3 S - | - C64 H56 O12 S4 - | 4 | 1 | VJ1051 | Sriram, D.; Srinivasan, S.; Santhosh, K.C.; Balasubramanian, K.K. | 6-Methyl-3-phenylthiochroman-4-one and 6-Methoxy-3-phenylthiochroman-4-one: Configurational Preference of the Phenylthio Group at the Third Position due to Remote Substitution | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1073 | 1075 | 10.1107/S010827019700396X | 0.71073 | MoKα | 0.059 | 0.0474 | null | 0.1306 | 0.1214 | null | null | null | 1.058 | 1.085 | 1.085 | null | null | null | has coordinates | Sriram, D.; Srinivasan, S.; Santhosh, K.C.; Balasubramanian, K.K.
6-Methyl-3-phenylthiochroman-4-one and 6-Methoxy-3-phenylthiochroman-4-one: Configurational Preference of the Phenylthio Group at the Third Position due to Remote Substitution
Acta Crystallographica Section C
53(8)
(1997)
1073-1075 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,440 | 7.8642 | 0.0013 | 9.423 | 0.004 | 14.008 | 0.004 | 90 | null | 90 | null | 90 | null | 1,038.1 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C8 H15 N O6 - | - C8 H15 N O6 - | - C32 H60 N4 O24 - | 4 | 1 | VJ1056 | Sriram, D.; Sreenivasan, H.; Srinivasan, S.; Priya, K.; Vishnu Thirtha, M.; Loganathan, D. | β-1-<i>N</i>-Acetamido-<small>D</small>-glucopyranose | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1075 | 1077 | 10.1107/S0108270197003600 | 0.71073 | MoKα | 0.0446 | 0.0328 | null | 0.076 | 0.0697 | null | null | null | 1.111 | 1.128 | 1.128 | null | null | null | has coordinates | Sriram, D.; Sreenivasan, H.; Srinivasan, S.; Priya, K.; Vishnu Thirtha, M.; Loganathan, D.
β-1-<i>N</i>-Acetamido-<small>D</small>-glucopyranose
Acta Crystallographica Section C
53(8)
(1997)
1075-1077 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,441 | 7.596 | 0.002 | 22.882 | 0.011 | 9.311 | 0.002 | 90 | null | 110.18 | 0.02 | 90 | null | 1,519 | 0.9 | 298 | null | 298 | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | trans-decahydroquinoline | N-Nitroso-3,3-dimethyl-2-phenyldecahydroquinolin-4-one | - C17 H22 N2 O2 - | - C17 H22 N2 O2 - | - C68 H88 N8 O8 - | 4 | 1 | VJ1058 | A.Thiruvalluvar; V.Parthasarathi; D.Natarajan; N.Bhavani; Mohan Bhadbhade | 3,3-Dimethyl-<i>N</i>-nitroso-2-phenyldecahydroquinolin-4-one | Acta Crystallographica Section C | 1,997 | 53 | 8 | 1086 | 1088 | 10.1107/S0108270197004770 | 1.5418 | CuKα | 0.0722 | 0.0587 | null | 0.1681 | 0.1588 | null | null | null | 1.076 | 1.148 | 1.148 | null | null | null | has coordinates | A.Thiruvalluvar; V.Parthasarathi; D.Natarajan; N.Bhavani; Mohan Bhadbhade
3,3-Dimethyl-<i>N</i>-nitroso-2-phenyldecahydroquinolin-4-one
Acta Crystallographica Section C
53(8)
(1997)
1086-1088 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006441.cif $
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2,006,442 | 9.4077 | 0.0012 | 10.1752 | 0.001 | 12.5542 | 0.0013 | 71.698 | 0.009 | 86.98 | 0.009 | 77.019 | 0.01 | 1,111.6 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 1,4-Methano-1,4,4a,9a-Tetrahydroanthracene-9,10-Dione | - C15 H12 O2 - | - C15 H12 O2 - | - C60 H48 O8 - | 4 | 2 | AB1411 | Günes̨, Bilal; Soylu, Hüseyin; Özbey, Süheyla; Kendi, Engin; Aydın, Ali | The 4:2 Diels–Alder Adduct of 1,3-Cyclopentadiene with 1,4-Naphthoquinone | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1301 | 1302 | 10.1107/S0108270197005830 | 0.71073 | MoKα | null | 0.0624 | null | 0.1292 | null | null | null | null | 1.481 | null | null | null | null | null | has coordinates | Günes̨, Bilal; Soylu, Hüseyin; Özbey, Süheyla; Kendi, Engin; Aydın, Ali
The 4:2 Diels–Alder Adduct of 1,3-Cyclopentadiene with 1,4-Naphthoquinone
Acta Crystallographica Section C
53(9)
(1997)
1301-1302 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,443 | 9.951 | 0.002 | 10.877 | 0.002 | 11.156 | 0.002 | 68.2 | 0.02 | 66.68 | 0.02 | 88.39 | 0.02 | 1,019.5 | 0.4 | 296 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C21 H30 Cu N2 O3 - | - C21 H30 Cu N2 O3 - | - C42 H60 Cu2 N4 O6 - | 2 | 1 | AB1436 | Hsueh-Hua Yao; Bor-Hann Chen; Jem-Mau Lo; Fen-Ling Liao | The Dimeric Complex {2,2'-[2,2-Dimethyl-1,3-propanediylbis(aminomethyl)]diphenolato-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}copper(II) Ethanol Solvate | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1222 | 1224 | 10.1107/S0108270197093980 | 0.71073 | MoKα | null | 0.0378 | null | null | 0.0475 | null | null | null | null | 1.47 | 1.47 | null | null | null | has coordinates | Hsueh-Hua Yao; Bor-Hann Chen; Jem-Mau Lo; Fen-Ling Liao
The Dimeric Complex {2,2'-[2,2-Dimethyl-1,3-propanediylbis(aminomethyl)]diphenolato-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}copper(II) Ethanol Solvate
Acta Crystallographica Section C
53(9)
(1997)
1222-1224 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,197 | 13.8603 | 0.0009 | 15.7746 | 0.001 | 16.2606 | 0.0011 | 88.004 | 0.001 | 84.949 | 0.001 | 87.6 | 0.001 | 3,536.6 | 0.4 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2-{2-[1,3-di-<i>tert</i>-butyl-4-(tert-butylamino)-2-(tert-butylimino)- 1,3,2λ^5^,4-diazadiphosphetidin-2-yl]-1-(4-methoxyphenyl)prop-2-en-1-yl}- 5,5-dimethyl-1,3,2λ^5^-dioxaphosphinan-2-one | - C31 H57 N4 O4 P3 - | - C31 H57 N4 O4 P3 - | - C124 H228 N16 O16 P12 - | 4 | 2 | ZJ2002 | Gangadhararao, G.; Venu, Srinivas | The Phospha–Michael addition product {(<i>t</i>-BuNH)P(μ-N-<i>t</i>-Bu)~2~P(=N-<i>t</i>-Bu)—C(=CH~2~)CH(<i>p</i>-CH~3~O—C~6~H~4~)-P(O)[(OCH~2~C(CH~3~)~2~CH~2~O)]} | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1212 | o1213 | 10.1107/S1600536811014127 | 0.71073 | MoKα | 0.0628 | 0.0487 | null | null | 0.1195 | 0.1277 | null | null | null | null | null | 1.012 | null | null | has coordinates,has Fobs | Gangadhararao, G.; Venu, Srinivas
The Phospha–Michael addition product {(<i>t</i>-BuNH)P(μ-N-<i>t</i>-Bu)~2~P(=N-<i>t</i>-Bu)—C(=CH~2~)CH(<i>p</i>-CH~3~O—C~6~H~4~)-P(O)[(OCH~2~C(CH~3~)~2~CH~2~O)]}
Acta Crystallographica Section E
67(5)
(2011)
o1212-o1213 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,006,444 | 11.081 | 0.003 | 15.147 | 0.008 | 15.668 | 0.008 | 90 | null | 96.14 | 0.03 | 90 | null | 2,615 | 2 | 203 | null | 203 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | anti-2,5-di(isopropyl)phenyldi(1-tricyclo[3.3.1.1^3,7^]decyl)methanol | - C33 H48 O - | - C33 H48 O - | - C132 H192 O4 - | 4 | 1 | AB1450 | Vaissermann, Jacqueline; Lomas, John S. | A Highly Strained Tertiary Alcohol: <i>anti</i>-Di(1-adamantyl)[2,5-di(isopropyl)phenyl]methanol | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1341 | 1343 | 10.1107/S010827019700629X | 0.71069 | MoKα | null | 0.0875 | null | null | null | 0.0892 | null | null | null | null | null | 1.1414 | null | null | has coordinates | Vaissermann, Jacqueline; Lomas, John S.
A Highly Strained Tertiary Alcohol: <i>anti</i>-Di(1-adamantyl)[2,5-di(isopropyl)phenyl]methanol
Acta Crystallographica Section C
53(9)
(1997)
1341-1343 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,445 | 13.228 | 0.003 | 12.805 | 0.002 | 16.817 | 0.006 | 90 | null | 119.35 | 0.02 | 90 | null | 2,482.9 | 1.2 | 288 | 2 | 288 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C26 H26 N2 O3 S2 - | - C26 H26 N2 O3 S2 - | - C104 H104 N8 O12 S8 - | 4 | 1 | AB1451 | Park, Koon Ha; Kang, Jin Soo; Oh, Mi-Ran; Suh, Il-Hwan | 4,4'-Bis(acetylamino)-2,2'-di(2-thienyl)biphenyl–Ethanol (1/1) | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1320 | 1322 | 10.1107/S0108270197006306 | 0.71069 | MoKα | 0.1478 | 0.05 | null | 0.1214 | 0.0881 | null | null | null | 0.737 | 1.041 | 1.041 | null | null | null | has coordinates | Park, Koon Ha; Kang, Jin Soo; Oh, Mi-Ran; Suh, Il-Hwan
4,4'-Bis(acetylamino)-2,2'-di(2-thienyl)biphenyl–Ethanol (1/1)
Acta Crystallographica Section C
53(9)
(1997)
1320-1322 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,446 | 8.1949 | 0.0008 | 13.754 | 0.0007 | 11.35 | 0.002 | 90.22 | 0.007 | 93.333 | 0.009 | 90.082 | 0.007 | 1,277.1 | 0.3 | 294 | 1 | 294 | 1 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 4,12,16,24-Tetrahydroxycalix[4]arene Methanol Solvate (1:2) | - C30 H32 O6 - | - C30 H32 O6 - | - C60 H64 O12 - | 2 | 1 | AB1469 | Böhmer, Volker; Ferguson, George; Frings, Michael | 4,12,16,24-Tetrahydroxycalix[4]arene–Methanol (1/2) | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1293 | 1295 | 10.1107/S0108270197003703 | 0.7107 | MolybdenumKα | 0.1032 | 0.0465 | null | 0.1493 | null | 0.133 | null | null | 0.957 | null | null | 1.19 | null | null | has coordinates | Böhmer, Volker; Ferguson, George; Frings, Michael
4,12,16,24-Tetrahydroxycalix[4]arene–Methanol (1/2)
Acta Crystallographica Section C
53(9)
(1997)
1293-1295 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006446.cif $
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2,006,447 | 5.9564 | 0.0008 | 7.883 | 0.0003 | 23.293 | 0.0003 | 90 | null | 97.18 | 0.01 | 90 | null | 1,085.13 | 0.15 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | CpCo(dmit) | (4,5-disulfanyl-1,3-dithiole-2-thionato)(η-cyclopentadienyl)cobalt(III) | - C8 H5 Co S5 - | - C8 H5 Co S5 - | - C32 H20 Co4 S20 - | 4 | 1 | AB1475 | Fourmigué, Marc; Perrocheau, Vincent | Two Heteroleptic Cobalt(III) Cyclopentadienyl/Dithiolene Complexes | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1213 | 1215 | 10.1107/S0108270197005544 | 0.71073 | MoKα | 0.0758 | 0.0316 | null | 0.0864 | 0.0733 | null | null | null | 1.075 | 1.106 | 1.106 | null | null | null | has coordinates | Fourmigué, Marc; Perrocheau, Vincent
Two Heteroleptic Cobalt(III) Cyclopentadienyl/Dithiolene Complexes
Acta Crystallographica Section C
53(9)
(1997)
1213-1215 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006447.cif $
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2,230,196 | 5.7326 | 0.0002 | 12.343 | 0.0003 | 16.7794 | 0.0004 | 90 | null | 90 | null | 90 | null | 1,187.27 | 0.06 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Benzyl(phenyl)phosphinic acid | - C13 H13 O2 P - | - C13 H13 O2 P - | - C52 H52 O8 P4 - | 4 | 1 | ZB2011 | Burrow, Robert A.; Siqueira da Silva, Rubia M. | Benzyl(phenyl)phosphinic acid | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1045 | 10.1107/S1600536811008245 | 0.71073 | MoKα | 0.0439 | 0.0388 | null | null | 0.1044 | 0.1076 | null | null | null | null | null | 1.05 | null | null | has coordinates,has Fobs | Burrow, Robert A.; Siqueira da Silva, Rubia M.
Benzyl(phenyl)phosphinic acid
Acta Crystallographica Section E
67(5)
(2011)
o1045 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230196.cif $
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2,006,448 | 12.14 | 0.002 | 11.488 | 0.002 | 12.698 | 0.003 | 90 | null | 110.91 | 0.02 | 90 | null | 1,654.3 | 0.6 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Cp^*^Co(dmit) | (4,5-disulfanyl-1,3-dithiole-2-thionato)(η-pentamethylcyclopentadienyl) cobalt(III) | - C13 H15 Co S5 - | - C13 H15 Co S5 - | - C52 H60 Co4 S20 - | 4 | 1 | AB1475 | Fourmigué, Marc; Perrocheau, Vincent | Two Heteroleptic Cobalt(III) Cyclopentadienyl/Dithiolene Complexes | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1213 | 1215 | 10.1107/S0108270197005544 | 0.71073 | MoKα | 0.09 | 0.05 | null | 0.064 | 0.055 | null | null | null | 1.11 | 1.193 | 1.193 | null | null | null | has coordinates | Fourmigué, Marc; Perrocheau, Vincent
Two Heteroleptic Cobalt(III) Cyclopentadienyl/Dithiolene Complexes
Acta Crystallographica Section C
53(9)
(1997)
1213-1215 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006448.cif $
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2,006,449 | 9.678 | 0.008 | 10.701 | 0.009 | 7.28 | 0.006 | 90.15 | 0.05 | 104.32 | 0.05 | 71.59 | 0.05 | 690.8 | 1 | 294 | null | 294 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | bis(8-aminoquinoline)dichlorodimethyltin(IV) | - C11 H14 Cl2 N2 Sn - | - C11 H14 Cl2 N2 Sn - | - C22 H28 Cl4 N4 Sn2 - | 2 | 1 | AB1483 | Alan Hazell; Kar Fong Thong; Jiexiang Ouyang; Lian Ee Khoo | (8-Aminoquinoline-<i>N</i>,<i>N</i>')dichlorodimethyltin(IV) | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1226 | 1228 | 10.1107/S0108270197006331 | 0.71073 | MoKα | null | 0.055 | null | null | 0.066 | null | null | null | null | 1.671 | 1.671 | null | null | null | has coordinates | Alan Hazell; Kar Fong Thong; Jiexiang Ouyang; Lian Ee Khoo
(8-Aminoquinoline-<i>N</i>,<i>N</i>')dichlorodimethyltin(IV)
Acta Crystallographica Section C
53(9)
(1997)
1226-1228 | 190,732 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-19 18:22:45 +0200 (Thu, 19 Jan 2017) $
#$Revision: 190732 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006449.cif $
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2,006,450 | 12.108 | 0.002 | 12.155 | 0.002 | 18.884 | 0.004 | 104.37 | 0.03 | 100.67 | 0.03 | 100.8 | 0.03 | 2,565 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | [Mo(CO)(dpepp)(dppm)] (dppm = Ph~2~PCH~2~PPh~2~, dpepp = Ph~2~PCH~2~CH~2~P(Ph)CH~2~CH~2~PPh~2~) | carbonyl[bis[2-(diphenylphosphino)ethyl)]phenylphosphine- P,P',P''][methylenebis(diphenylphosphino)- P,P']molybdenum(0) | - C60 H55 Mo O P5 - | - C60 H55 Mo O P5 - | - C120 H110 Mo2 O2 P10 - | 2 | 1 | BK1241 | George, T. Adrian; DeBord, Jeffrey R. D.; Heier, Kevin; Tisdale, Robert C.; Davies, Marcia C.; Haas, Eric J.; Ross II, Charles R.; Stezowski, John J. | [Mo(C~25~H~22~P~2~)(C~34~H~33~P~3~)(CO)] | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1251 | 1254 | 10.1107/S0108270196015806 | 0.71073 | MoKα | 0.0821 | 0.051 | null | 0.134 | 0.116 | null | null | null | 1.02 | 1.05 | 1.05 | null | null | null | has coordinates,has disorder | George, T. Adrian; DeBord, Jeffrey R. D.; Heier, Kevin; Tisdale, Robert C.; Davies, Marcia C.; Haas, Eric J.; Ross II, Charles R.; Stezowski, John J.
[Mo(C~25~H~22~P~2~)(C~34~H~33~P~3~)(CO)]
Acta Crystallographica Section C
53(9)
(1997)
1251-1254 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006450.cif $
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2,006,451 | 8.903 | 0.003 | 14.911 | 0.004 | 19.778 | 0.004 | 90 | null | 98.337 | 0.002 | 90 | null | 2,597.8 | 1.2 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | triphenylphosphine oxide.di-isopropyl azodicarboxylate | triphenylphosphine oxide . di-isopropyl azodicarboxylate adduct | - C26 H31 N2 O5 P - | - C26 H31 N2 O5 P - | - C104 H124 N8 O20 P4 - | 4 | 1 | BK1276 | Héroux, A.; Brisse, F. | Diisopropyl Hydrazocarboxylate–Triphenylphosphine Oxide Adduct | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1318 | 1320 | 10.1107/S0108270197005489 | 1.54018 | CopperKα | 0.05 | 0.047 | null | 0.056 | 0.056 | null | null | null | null | 4.22 | 4.22 | null | null | null | has coordinates | Héroux, A.; Brisse, F.
Diisopropyl Hydrazocarboxylate–Triphenylphosphine Oxide Adduct
Acta Crystallographica Section C
53(9)
(1997)
1318-1320 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006451.cif $
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2,230,195 | 6.9775 | 0.0003 | 12.4235 | 0.0005 | 39.148 | 0.0016 | 90 | null | 90 | null | 90 | null | 3,393.5 | 0.2 | 113 | 2 | 113 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 3β-Acetoxy-12-oxoolean-28-oic acid benzyl ester | - C39 H56 O5 - | - C39 H56 O5 - | - C156 H224 O20 - | 4 | 1 | YK2003 | Hu, Jun-yi; Xu, Ying-qian; Xu, Guo-bo; Wang, Kang; Lei, Peng | 3β-Acetoxy-12-oxoolean-28-oic acid benzyl ester | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1027 | 10.1107/S1600536811010968 | 0.71073 | MoKα | 0.0565 | 0.0498 | null | null | 0.1106 | 0.1143 | null | null | null | null | null | 1.094 | null | null | has coordinates,has Fobs | Hu, Jun-yi; Xu, Ying-qian; Xu, Guo-bo; Wang, Kang; Lei, Peng
3β-Acetoxy-12-oxoolean-28-oic acid benzyl ester
Acta Crystallographica Section E
67(5)
(2011)
o1027 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230195.cif $
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2,006,452 | 11.5 | 0.004 | 7.97 | 0.002 | 16.521 | 0.003 | 90 | null | 103.06 | 0.02 | 90 | null | 1,475.1 | 0.7 | 153.2 | null | 153.2 | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C10 H14 Cu F4 N2 O4 W - | - C10 H10 Cu0.67 F4.02 N2 O3.98 W0.67 - | - C40 H40 Cu2.68 F16.08 N8 O15.92 W2.68 - | 4 | 1 | BK1279 | Halasyamani, Shiv; Heier, Kevin R.; Stern, Charlotte L.; Poeppelmeier, Kenneth R. | CuW(py)~2~(H~2~ O)~2~O~2~F~4~ and CuW(py)~4~O~2~F~4~ | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1240 | 1244 | 10.1107/S0108270197005490 | 0.7107 | MoKα | null | 0.04 | null | null | 0.047 | null | null | null | null | 3.41 | 3.41 | null | null | null | has coordinates | Halasyamani, Shiv; Heier, Kevin R.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.
CuW(py)~2~(H~2~ O)~2~O~2~F~4~ and CuW(py)~4~O~2~F~4~
Acta Crystallographica Section C
53(9)
(1997)
1240-1244 | 176,342 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-11 00:55:37 +0200 (Thu, 11 Feb 2016) $
#$Revision: 176342 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006452.cif $
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2,006,453 | 10.45 | 0.002 | 13.396 | 0.003 | 16.067 | 0.007 | 90 | null | 97.33 | 0.02 | 90 | null | 2,230.8 | 1.2 | 153.2 | null | 153.2 | null | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | 15 | - C20 H20 Cu F4 N4 O2 W - | - C20 H20 Cu F4.02 N4 O1.98 W - | - C80 H80 Cu4 F16.08 N16 O7.92 W4 - | 4 | 0.5 | BK1279 | Halasyamani, Shiv; Heier, Kevin R.; Stern, Charlotte L.; Poeppelmeier, Kenneth R. | CuW(py)~2~(H~2~ O)~2~O~2~F~4~ and CuW(py)~4~O~2~F~4~ | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1240 | 1244 | 10.1107/S0108270197005490 | 0.7107 | MoKα | null | 0.038 | null | null | 0.05 | null | null | null | null | 4.45 | 4.45 | null | null | null | has coordinates | Halasyamani, Shiv; Heier, Kevin R.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.
CuW(py)~2~(H~2~ O)~2~O~2~F~4~ and CuW(py)~4~O~2~F~4~
Acta Crystallographica Section C
53(9)
(1997)
1240-1244 | 176,342 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-11 00:55:37 +0200 (Thu, 11 Feb 2016) $
#$Revision: 176342 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006453.cif $
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2,006,454 | 10.396 | 0.001 | 14.468 | 0.002 | 12.155 | 0.002 | 90 | null | 112.53 | 0.01 | 90 | null | 1,688.7 | 0.4 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | bis(2,2,6,6-tetramethyl-piperidinyl-1-oxy-O)bis(1,1,1,5,5,5- hexafluoroacetylacetonato-O,O")cobalt(II) | - C28 H38 Co F12 N2 O6 - | - C28 H38 Co F12 N2 O6 - | - C56 H76 Co2 F24 N4 O12 - | 2 | 0.5 | BK1320 | Dickman, Michael H. | Bis(1,1,1,5,5,5-hexafluoroacetylacetonato-<i>O</i>,<i>O</i>')bis(2,2,6,6-tetramethylpiperidinyl-1-oxy-<i>O</i>)cobalt(II) | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1192 | 1195 | 10.1107/S0108270197005945 | 0.71073 | MoKα | 0.0711 | 0.044 | null | 0.112 | 0.0989 | null | null | null | 1.03 | 1.089 | 1.089 | null | null | null | has coordinates | Dickman, Michael H.
Bis(1,1,1,5,5,5-hexafluoroacetylacetonato-<i>O</i>,<i>O</i>')bis(2,2,6,6-tetramethylpiperidinyl-1-oxy-<i>O</i>)cobalt(II)
Acta Crystallographica Section C
53(9)
(1997)
1192-1195 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006454.cif $
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2,006,455 | 6.9122 | 0.0006 | 13.1517 | 0.0011 | 7.8098 | 0.0007 | 90 | null | 93.324 | 0.001 | 90 | null | 708.77 | 0.11 | 293 | 2 | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 4-iodobenzaldehyde | - C7 H5 I O - | - C7 H5 I O - | - C28 H20 I4 O4 - | 4 | 2 | BK1329 | Britton, Doyle; Young Jr, Victor G. | <i>p</i>-Iodobenzaldehyde | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1359 | 1362 | 10.1107/S0108270197006288 | 0.71073 | MoKα | 0.025 | 0.025 | null | 0.0672 | 0.0671 | null | null | null | 1.09 | 1.085 | 1.085 | null | null | null | has coordinates | Britton, Doyle; Young Jr, Victor G.
<i>p</i>-Iodobenzaldehyde
Acta Crystallographica Section C
53(9)
(1997)
1359-1362 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006455.cif $
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2,006,456 | 11.217 | 0.001 | 8.1008 | 0.0003 | 14.4403 | 0.0008 | 90 | null | 104.34 | 0.01 | 90 | null | 1,271.26 | 0.15 | 297 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | 1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene | - C16 H10 Cl2 - | - C16 H10 Cl2 - | - C64 H40 Cl8 - | 4 | 1 | BK1334 | Benites, Maria del Rosario; Maverick, Andrew W.; Fronczek, Frank R. | 1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1334 | 1335 | 10.1107/S0108270197006355 | 1.54184 | Cu-Kα | null | 0.039 | null | null | null | 0.059 | null | null | null | null | null | 2.301 | null | null | has coordinates | Benites, Maria del Rosario; Maverick, Andrew W.; Fronczek, Frank R.
1,8-Dichloro-9,10-dihydro-9,10-ethenoanthracene
Acta Crystallographica Section C
53(9)
(1997)
1334-1335 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006456.cif $
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2,006,457 | 10.58 | 0.002 | 5.034 | 0.002 | 25.762 | 0.002 | 90 | null | 91.56 | 0.01 | 90 | null | 1,371.6 | 0.6 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | 4-(3-phenanthryl)butanoic acid | - C18 H16 O2 - | - C18 H16 O2 - | - C72 H64 O8 - | 4 | 1 | BK1335 | Gerkin, Roger E. | 4-(3-Phenanthryl)butanoic Acid | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1275 | 1278 | 10.1107/S0108270197006367 | 0.71073 | MoKα | null | 0.062 | null | null | null | 0.115 | null | null | null | null | null | 1.24 | null | null | has coordinates | Gerkin, Roger E.
4-(3-Phenanthryl)butanoic Acid
Acta Crystallographica Section C
53(9)
(1997)
1275-1278 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006457.cif $
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2,006,458 | 10.77 | 0.002 | 10.045 | 0.002 | 16.499 | 0.004 | 90 | null | 105.07 | 0.02 | 90 | null | 1,723.6 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 6a,7-dihydro-2,6-dimethyl-7-phenyl- 6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a] pyrimidine-6a-ol | - C20 H18 N4 O2 - | - C20 H18 N4 O2 - | - C80 H72 N16 O8 - | 4 | 1 | BM1134 | Kovalevsky, A. Yu.; Chebanov, V. A.; Desenko, S. M.; Komykhov, S. A.; Orlov, V. D.; Shishkin, O. V.; Meier, H. | 6a,7-Dihydro-2,6-dimethyl-7-phenyl-6<i>H</i>-chromeno[4,3-<i>d</i>]-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-6a-ol | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1356 | 1357 | 10.1107/S0108270197003569 | 0.71073 | MoKα | 0.091 | 0.043 | null | 0.201 | 0.108 | null | null | null | 1.152 | 1.149 | 1.149 | null | null | null | has coordinates | Kovalevsky, A. Yu.; Chebanov, V. A.; Desenko, S. M.; Komykhov, S. A.; Orlov, V. D.; Shishkin, O. V.; Meier, H.
6a,7-Dihydro-2,6-dimethyl-7-phenyl-6<i>H</i>-chromeno[4,3-<i>d</i>]-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-6a-ol
Acta Crystallographica Section C
53(9)
(1997)
1356-1357 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006458.cif $
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2,230,194 | 9.3782 | 0.0003 | 12.3467 | 0.0005 | 21.9651 | 0.0008 | 90 | null | 90 | null | 90 | null | 2,543.34 | 0.16 | 294 | 2 | 294 | 2 | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | Triethylammonium (<i>S</i>)-(-)-<i>O</i>-[1-(2-naphthyl)ethyl] (4-methoxyphenyl)dithiophosphonate | - C25 H34 N O2 P S2 - | - C25 H34 N O2 P S2 - | - C100 H136 N4 O8 P4 S8 - | 4 | 1 | XU5201 | Solak, Samet; Karakuş, Mehmet; Tercan, Barış; Hökelek, Tuncer | Triethylammonium (<i>S</i>)-({-})-<i>O</i>-[1-(2-naphthyl)ethyl] (4-methoxyphenyl)dithiophosphonate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1260 | o1261 | 10.1107/S1600536811015820 | 0.71073 | MoKα | 0.04 | 0.0356 | null | null | 0.0894 | 0.0937 | null | null | null | null | null | 1.063 | null | null | has coordinates,has Fobs | Solak, Samet; Karakuş, Mehmet; Tercan, Barış; Hökelek, Tuncer
Triethylammonium (<i>S</i>)-({-})-<i>O</i>-[1-(2-naphthyl)ethyl] (4-methoxyphenyl)dithiophosphonate
Acta Crystallographica Section E
67(5)
(2011)
o1260-o1261 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230194.cif $
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2,006,459 | 25.76 | 0.004 | 8.159 | 0.0018 | 27.156 | 0.004 | 90 | null | 116.257 | 0.012 | 90 | null | 5,118.6 | 1.7 | 160 | 2 | 160 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C7 H4 As Cl F6 N2 S2 - | - C7 H4 As Cl F6 N2 S2 - | - C112 H64 As16 Cl16 F96 N32 S32 - | 16 | 4 | BM1156 | Clegg, William; Elsegood, Mark R.J.; Banister, Arthur J.; Hibbert, Thomas G. | 5-(<i>o</i>-Chlorophenyl)-1,3-dithia-2,4-diazolylium Hexafluoroarsenate | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1208 | 1211 | 10.1107/S0108270197009165 | 0.71073 | MoKα | 0.0646 | 0.0413 | null | 0.1154 | 0.1001 | null | null | null | 1.075 | 1.091 | 1.091 | null | null | null | has coordinates,has disorder | Clegg, William; Elsegood, Mark R.J.; Banister, Arthur J.; Hibbert, Thomas G.
5-(<i>o</i>-Chlorophenyl)-1,3-dithia-2,4-diazolylium Hexafluoroarsenate
Acta Crystallographica Section C
53(9)
(1997)
1208-1211 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006459.cif $
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2,006,460 | 9.827 | 0.004 | 9.827 | 0.004 | 31.658 | 0.006 | 90 | null | 90 | null | 120 | null | 2,647.6 | 1.6 | 295 | 2 | 295 | null | null | null | null | null | 3 | R -3 c :H | -R 3 2"c | 167 | - Br4 Re6 Se7 - | - Br4 Re6 Se7 - | - Br24 Re36 Se42 - | 6 | 0.166667 | BR1146 | Pinheiro, Carlos Basílio; Speziali, Nivaldo Lúcio; Berger, Helmut | Re~6~Se~7~Br~4~ | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1178 | 1180 | 10.1107/S0108270197004666 | 0.56083 | AgKα | null | 0.026 | null | null | 0.037 | null | null | null | null | 3.304 | 3.304 | null | null | null | has coordinates | Pinheiro, Carlos Basílio; Speziali, Nivaldo Lúcio; Berger, Helmut
Re~6~Se~7~Br~4~
Acta Crystallographica Section C
53(9)
(1997)
1178-1180 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006460.cif $
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2,006,461 | 14.067 | 0.001 | 8.163 | 0.002 | 8.161 | 0.002 | 90 | null | 90 | null | 90 | null | 937.1 | 0.3 | 293 | null | null | null | null | null | null | null | 3 | C m c a | -C 2ac 2 | 64 | - Cs F5 Tb - | - Cs F5 Tb - | - Cs8 F40 Tb8 - | 8 | null | BR1167 | Gaumet, Vincent; Avignant, Daniel | Caesium Pentafluoroterbate, CsTbF~5~ | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1176 | 1178 | 10.1107/S0108270197005556 | 0.71073 | MoKα | null | 0.026 | null | null | 0.028 | null | null | null | null | 1.339 | 1.339 | null | null | null | has coordinates | Gaumet, Vincent; Avignant, Daniel
Caesium Pentafluoroterbate, CsTbF~5~
Acta Crystallographica Section C
53(9)
(1997)
1176-1178 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006461.cif $
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2,006,462 | 7.848 | 0.002 | 19.867 | 0.004 | 10.773 | 0.003 | 90 | null | 90 | null | 90 | null | 1,679.7 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C m c a | -C 2ac 2 | 64 | hydrated strontium iron (III) fluoride | - F10 Fe2 H2 O Sr2 - | - F10 Fe2 H2 O Sr2 - | - F80 Fe16 H16 O8 Sr16 - | 8 | 0.5 | Jean-Marc Le Meins; Annie Hemon-Ribaud; Georges Courbion | Sr~2~Fe~2~F~10~.H~2~O, the First Hydrated Strontium Iron(III) Fluoride | Acta Crystallographica Section C | 1,997 | 53 | 1165 | 1166 | null | null | 0.0321 | null | null | 0.0683 | null | null | null | null | null | null | null | null | null | has coordinates | Jean-Marc Le Meins; Annie Hemon-Ribaud; Georges Courbion
Sr~2~Fe~2~F~10~.H~2~O, the First Hydrated Strontium Iron(III) Fluoride
Acta Crystallographica Section C
53
(1997)
1165-1166 | 191,889 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-07 14:24:33 +0200 (Tue, 07 Feb 2017) $
#$Revision: 191889 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006462.cif $
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2,230,193 | 14.9151 | 0.0004 | 22.5593 | 0.0005 | 17.1642 | 0.0003 | 90 | null | 90 | null | 90 | null | 5,775.3 | 0.2 | 291 | 2 | 291 | 2 | null | null | null | null | 4 | I b c a | -I 2b 2c | 73 | 3-[(Cyclohexylidene)amino]-1-(4-methylphenyl)thiourea | - C14 H19 N3 S - | - C14 H19 N3 S - | - C224 H304 N48 S16 - | 16 | 1 | XU5197 | Zhang, Yan-Ling; Zhang, Xiao-Wei; Zhang, Fu-Juan | 3-[(Cyclohexylidene)amino]-1-(4-methylphenyl)thiourea | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1268 | 10.1107/S1600536811015510 | 1.54184 | CuKα | 0.0658 | 0.0526 | null | null | 0.1476 | 0.1616 | null | null | null | null | null | 1.024 | null | null | has coordinates,has Fobs | Zhang, Yan-Ling; Zhang, Xiao-Wei; Zhang, Fu-Juan
3-[(Cyclohexylidene)amino]-1-(4-methylphenyl)thiourea
Acta Crystallographica Section E
67(5)
(2011)
o1268 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230193.cif $
#-------------------------------------------------------------------... | |||||||||||
2,006,463 | 5.1636 | 0.001 | 8.0324 | 0.001 | 14.8009 | 0.0002 | 95.796 | 0.001 | 90.315 | 0.001 | 108.078 | 0.001 | 580.16 | 0.13 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | cesium trizinc phosphate bis(hydrogenphosphate) | - Cs H2 O12 P3 Zn3 - | - Cs O12 P3 Zn3 - | - Cs2 O24 P6 Zn6 - | 2 | 1 | BR1177 | Pingyun Feng; Xianhui Bu; Galen D. Stucky | A Caesium Zinc Phosphate Constructed from Ladder-Like Four-Ring Chains | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1170 | 1173 | 10.1107/S0108270197004423 | 0.71073 | MoKα | 0.0479 | 0.0384 | null | 0.11 | 0.0904 | null | null | null | 0.988 | 0.909 | 0.909 | null | null | null | has coordinates | Pingyun Feng; Xianhui Bu; Galen D. Stucky
A Caesium Zinc Phosphate Constructed from Ladder-Like Four-Ring Chains
Acta Crystallographica Section C
53(9)
(1997)
1170-1173 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006463.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,464 | 14.636 | 0.002 | 15.185 | 0.003 | 17.928 | 0.002 | 90 | null | 90 | null | 90 | null | 3,984.5 | 1.1 | 293 | null | 293 | null | null | null | null | null | 8 | P 21 21 21 | P 2ac 2ab | 19 | {2,6-bis[(4R,5R)-1,3-dimethyl-4,5-diphenylimidazolidin- 2-yl]pyridine-N^1^,N,N^1^'}chloro-copper(II) hexafluorophosphate methanol solvate | - C39.5 H43 Cl Cu F6 N5 O0.5 P - | - C39.5 H43 Cl Cu F6 N5 O0.5 P - | - C158 H172 Cl4 Cu4 F24 N20 O2 P4 - | 4 | 1 | CF1153 | Bohnen, Frank M.; Goddard, Richard; Minidis, Alexander B. E.; Alexakis, Alexandre; Pfaltz, Andreas | A Copper(II) Complex of a New Chiral Tridentate Imidazoline Ligand | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1236 | 1238 | 10.1107/S0108270197003673 | 0.71069 | MoKα | 0.196 | 0.059 | null | null | 0.139 | 0.179 | null | null | null | null | null | 1.007 | null | null | has coordinates | Bohnen, Frank M.; Goddard, Richard; Minidis, Alexander B. E.; Alexakis, Alexandre; Pfaltz, Andreas
A Copper(II) Complex of a New Chiral Tridentate Imidazoline Ligand
Acta Crystallographica Section C
53(9)
(1997)
1236-1238 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006464.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,465 | 12.201 | 0.002 | 12.8625 | 0.0014 | 18.571 | 0.002 | 90 | null | 90 | null | 90 | null | 2,914.4 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | Isoalangidiol monoacetate | (3α,18α)-B':A'-Neogammacerane-3,18-diol | - C32 H54 O3 - | - C32 H54 O3 - | - C128 H216 O12 - | 4 | 1 | DE1038 | Bhattacharyya, Kinkini; Chaudhuri, Siddhartha; Achari, Basudeb; Mazumdar, Biswanath; Mazumdar, Sunil Kumar | Isoalangidiol Monoacetate, a Triterpene Alcohol | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1299 | 1301 | 10.1107/S0108270196014126 | 0.71073 | MoKα | 0.0655 | 0.0525 | null | 0.1575 | 0.1353 | null | null | null | 0.981 | 1.05 | 1.05 | null | null | null | has coordinates | Bhattacharyya, Kinkini; Chaudhuri, Siddhartha; Achari, Basudeb; Mazumdar, Biswanath; Mazumdar, Sunil Kumar
Isoalangidiol Monoacetate, a Triterpene Alcohol
Acta Crystallographica Section C
53(9)
(1997)
1299-1301 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006465.cif $
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2,006,466 | 18.033 | 0.009 | 14.019 | 0.009 | 8.973 | 0.005 | 90 | null | 90 | null | 90 | null | 2,268 | 2 | 293 | null | 293 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | α-(4–Hydroxy phenyl)-N-Phenyl nitrone | N-(p-Hydroxy Benzylidene)phenylamine N-oxide | - C13 H11 N O2 - | - C13 H11 N O2 - | - C104 H88 N8 O16 - | 8 | 1 | DE1054 | Vijayalakshmi, L.; Parthasarathi, V.; Manishanker, P. | <i>N</i>-(<i>p</i>-Hydroxybenzylidene)phenylamine <i>N</i>-Oxide | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1343 | 1344 | 10.1107/S010827019700560X | 0.7071 | MoKα | 0.146 | 0.035 | null | 0.115 | 0.079 | null | null | null | 0.972 | 1.043 | 1.043 | null | null | null | has coordinates | Vijayalakshmi, L.; Parthasarathi, V.; Manishanker, P.
<i>N</i>-(<i>p</i>-Hydroxybenzylidene)phenylamine <i>N</i>-Oxide
Acta Crystallographica Section C
53(9)
(1997)
1343-1344 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006466.cif $
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2,006,467 | 12.555 | 0.002 | 6.258 | 0.002 | 10.554 | 0.002 | 90 | null | 90 | null | 90 | null | 829.2 | 0.3 | 110 | 3 | 110 | 3 | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | Sodium titanyl phosphate | NaTP | - Na O5 P Ti - | - K0.008 Na0.992 O5 P Ti - | - K0.064 Na7.936 O40 P8 Ti8 - | 8 | 2 | DU1171 | Dahaoui, Slimane; Hansen, Niels K.; Menaert, Bertrand | NaTiOPO~4~ and KTiOPO~4~ at 110 K | Acta Crystallographica, Section C: Crystal Structure Communications | 1,997 | 53 | 9 | 1173 | 1176 | 10.1107/s0108270197004265 | 0.56087 | AgKα | null | 0.013 | null | null | 0.012 | null | null | null | null | 1.06 | 1.06 | null | 1,008,807 | null | has coordinates,has Fobs | Dahaoui, Slimane; Hansen, Niels K.; Menaert, Bertrand
NaTiOPO~4~ and KTiOPO~4~ at 110 K
Acta Crystallographica, Section C: Crystal Structure Communications
53(9)
(1997)
1173-1176 | 287,519 | 2023-11-10 | 19:29:21 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006467.cif $
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2,230,192 | 18.6927 | 0.0005 | 6.0646 | 0.0002 | 15.6262 | 0.0005 | 90 | null | 107.212 | 0.002 | 90 | null | 1,692.11 | 0.09 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2-(Naphthalen-1-yl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5(4<i>H</i>)-one | - C24 H15 N O2 - | - C24 H15 N O2 - | - C96 H60 N4 O8 - | 4 | 1 | XU5196 | Gündoğdu, Cevher; Alp, Serap; Ergün, Yavuz; Tercan, Barış; Hökelek, Tuncer | 2-(Naphthalen-1-yl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5(4<i>H</i>)-one | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1258 | o1259 | 10.1107/S1600536811015340 | 0.71073 | MoKα | 0.078 | 0.0439 | null | null | 0.1098 | 0.1359 | null | null | null | null | null | 1.068 | null | null | has coordinates,has Fobs | Gündoğdu, Cevher; Alp, Serap; Ergün, Yavuz; Tercan, Barış; Hökelek, Tuncer
2-(Naphthalen-1-yl)-4-(naphthalen-1-ylmethylidene)-1,3-oxazol-5(4<i>H</i>)-one
Acta Crystallographica Section E
67(5)
(2011)
o1258-o1259 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230192.cif $
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2,006,468 | 12.7982 | 0.0009 | 6.3937 | 0.0007 | 10.5853 | 0.0009 | 90 | null | 90 | null | 90 | null | 866.2 | 0.1 | 110 | 3 | 110 | 3 | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | Potassium titanyl phosphate | Potassium oxotitanium phosphate(V) | - K O5 P Ti - | - K O5 P Ti - | - K8 O40 P8 Ti8 - | 8 | 2 | DU1171 | Dahaoui, Slimane; Hansen, Niels K.; Menaert, Bertrand | NaTiOPO~4~ and KTiOPO~4~ at 110 K | Acta Crystallographica, Section C: Crystal Structure Communications | 1,997 | 53 | 9 | 1173 | 1176 | 10.1107/s0108270197004265 | 0.56087 | AgKα | 0.0123 | 0.0123 | null | null | 0.0119 | null | null | null | null | 1 | 1 | null | null | null | has coordinates,has Fobs | Dahaoui, Slimane; Hansen, Niels K.; Menaert, Bertrand
NaTiOPO~4~ and KTiOPO~4~ at 110 K
Acta Crystallographica, Section C: Crystal Structure Communications
53(9)
(1997)
1173-1176 | 180,689 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-04-01 16:15:04 +0300 (Fri, 01 Apr 2016) $
#$Revision: 180689 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006468.cif $
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2,006,469 | 8.619 | 0.001 | 13.983 | 0.001 | 7.344 | 0.001 | 94.17 | 0.01 | 68.69 | 0.01 | 102.14 | 0.01 | 806.13 | 0.17 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Sodium 1,6-diammoniumhexane cyclotriphosphate dihydrate | - C6 H22 N2 Na O11 P3 - | - C6 H22 N2 Na O11 P3 - | - C12 H44 N4 Na2 O22 P6 - | 2 | 1 | DU1172 | Thabet, Hédi; Jouini, Amor | Sodium 1,6-Hexanediammonium Cyclotriphosphate Dihydrate | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1182 | 1184 | 10.1107/S0108270197005623 | 0.71069 | MoKα | 0.0357 | 0.0259 | null | 0.0754 | 0.0696 | null | null | null | 1.05 | 1.066 | 1.066 | null | null | null | has coordinates | Thabet, Hédi; Jouini, Amor
Sodium 1,6-Hexanediammonium Cyclotriphosphate Dihydrate
Acta Crystallographica Section C
53(9)
(1997)
1182-1184 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006469.cif $
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2,006,470 | 22.822 | 0.003 | 7.667 | 0.001 | 14.697 | 0.001 | 90 | null | 106.31 | 0.01 | 90 | null | 2,468.1 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 3-benzoyl-2-methylindole | - C16 H13 N O - | - C16 H13 N O - | - C128 H104 N8 O8 - | 8 | 1 | FG1244 | M. Paz Martinez-Alcazar; Isabel Fonseca; Felix H. Cano; J. Gonzalo Rodriguez; Anahi Urrutia | 3-Benzoyl-2-methylindole | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1345 | 1347 | 10.1107/S0108270197005180 | 1.5418 | CuKα | 0.0701 | 0.0644 | null | 0.1547 | 0.1503 | null | null | null | 1.13 | 1.203 | 1.203 | null | null | null | has coordinates | M. Paz Martinez-Alcazar; Isabel Fonseca; Felix H. Cano; J. Gonzalo Rodriguez; Anahi Urrutia
3-Benzoyl-2-methylindole
Acta Crystallographica Section C
53(9)
(1997)
1345-1347 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,471 | 11.38 | 0.002 | 11.541 | 0.002 | 17.111 | 0.003 | 104.95 | 0.02 | 98.2 | 0.02 | 91.1 | 0.02 | 2,145.3 | 0.7 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Triphenylsilyl(pentacarbonyl)manganese(I) | - C23 H15 Mn O5 Si - | - C23 H15 Mn O5 Si - | - C92 H60 Mn4 O20 Si4 - | 4 | 2 | FG1256 | Anne-Marie Lebuis; Dharamdat Christendat; Denis F. R. Gilson; Ian S. Butler | Pentacarbonyl(triphenylsilyl)manganese(I) | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1206 | 1208 | 10.1107/S0108270197005192 | 0.7107 | MoKα | 0.1542 | 0.069 | null | 0.1078 | 0.0863 | null | null | null | 0.918 | 1.054 | 1.054 | null | null | null | has coordinates | Anne-Marie Lebuis; Dharamdat Christendat; Denis F. R. Gilson; Ian S. Butler
Pentacarbonyl(triphenylsilyl)manganese(I)
Acta Crystallographica Section C
53(9)
(1997)
1206-1208 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006471.cif $
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2,006,472 | 13.847 | 0.003 | 9.232 | 0.002 | 14.681 | 0.003 | 90 | null | 108.57 | 0.03 | 90 | null | 1,779 | 0.7 | 296 | 2 | 296 | 2 | null | null | null | null | 7 | P 1 2/c 1 | -P 2yc | 13 | bis(triphenylphosphinesulfide-S)gold(I) difluorophosphate(V) | - C36 H30 Au F2 O2 P3 S2 - | - C36 H30 Au F2.024 O2.024 P3 S2 - | - C72 H60 Au2 F4.048 O4.048 P6 S4 - | 2 | 0.5 | FG1269 | LeBlanc, Daren J.; Britten, James F.; Lock, Colin J.L. | Bis(triphenylphosphine sulfide-<i>S</i>)gold(I) Difluorophosphate(V) | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1204 | 1206 | 10.1107/S0108270197005209 | 0.56086 | AgKα | 0.0728 | 0.0496 | null | 0.1164 | 0.1095 | null | null | null | 0.912 | 1.025 | 1.025 | null | null | null | has coordinates,has disorder | LeBlanc, Daren J.; Britten, James F.; Lock, Colin J.L.
Bis(triphenylphosphine sulfide-<i>S</i>)gold(I) Difluorophosphate(V)
Acta Crystallographica Section C
53(9)
(1997)
1204-1206 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006472.cif $
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2,006,473 | 15.266 | 0.002 | 16.262 | 0.003 | 14.1071 | 0.0015 | 90 | null | 90 | null | 90 | null | 3,502.2 | 0.9 | 294 | null | 294 | null | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | - C24 H18 O2 - | - C24 H18 O2 - | - C192 H144 O16 - | 8 | 1 | FG1285 | Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James | Methyl 8c-Phenyl-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1262 | 1263 | 10.1107/S0108270197005258 | 1.5418 | CuKα | 0.0569 | 0.0406 | null | null | null | 0.1178 | null | null | null | null | null | 2.22 | null | null | has coordinates | Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James
Methyl 8c-Phenyl-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b-carboxylate
Acta Crystallographica Section C
53(9)
(1997)
1262-1263 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,474 | 8.766 | 0.002 | 17.885 | 0.002 | 12.612 | 0.002 | 90 | null | 103.661 | 0.011 | 90 | null | 1,921.4 | 0.6 | 294 | null | 294 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C23 H24 N2 O2 - | - C23 H24 N2 O2 - | - C92 H96 N8 O8 - | 4 | 1 | FG1286 | Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James | <i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-methyl-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b,8c-dicarboxamide | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1263 | 1265 | 10.1107/S010827019700526X | 1.5418 | CuKα | 0.072 | 0.043 | null | null | null | 0.119 | null | null | null | null | null | 1.78 | null | null | has coordinates | Jones, Ray; Rattray, A. Graham M.; Scheffer, John R.; Trotter, James
<i>N</i>,<i>N</i>-Diethyl-<i>N</i>'-methyl-4b,8b,8c,8d-tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b,8c-dicarboxamide
Acta Crystallographica Section C
53(9)
(1997)
1263-1265 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006474.cif $
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2,230,191 | 8.2382 | 0.0005 | 19.1223 | 0.0012 | 9.2209 | 0.0006 | 90 | null | 114.623 | 0.001 | 90 | null | 1,320.51 | 0.14 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 1-(9-Methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca- 2,4,6-trien-13-yl)ethan-1-one | - C13 H14 N2 O2 S - | - C13 H14 N2 O2 S - | - C52 H56 N8 O8 S4 - | 4 | 1 | XU5193 | Kurbanova, Malahat M.; Maharramov, Abel M.; Novruzova, Aysel B.; Gurbanov, Atash V.; Ng, Seik Weng | 1-(9-Methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2,4,6-trien-13-yl)ethanone | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1156 | 10.1107/S1600536811013699 | 0.71073 | MoKα | 0.1118 | 0.0786 | null | null | 0.1911 | 0.2109 | null | null | null | null | null | 0.988 | null | null | has coordinates,has Fobs | Kurbanova, Malahat M.; Maharramov, Abel M.; Novruzova, Aysel B.; Gurbanov, Atash V.; Ng, Seik Weng
1-(9-Methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2,4,6-trien-13-yl)ethanone
Acta Crystallographica Section E
67(5)
(2011)
o1156 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230191.cif $
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2,006,475 | 7.4058 | 0.0009 | 8.7129 | 0.001 | 6.0114 | 0.0006 | 94.915 | 0.01 | 102.386 | 0.01 | 114.847 | 0.008 | 336.96 | 0.07 | 296 | null | 296 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2-bromosenecioic acid | 2-bromo-3-methyl-2-butenoic acid | - C5 H7 Br O2 - | - C5 H7 Br O2 - | - C10 H14 Br2 O4 - | 2 | 1 | FG1293 | Gerkin, Roger E. | 2-Bromo-3-methyl-2-butenoic Acid (2-Bromosenecioic Acid) | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1278 | 1280 | 10.1107/S0108270197005647 | 0.71073 | MoKα | null | 0.043 | null | null | null | 0.029 | null | null | null | null | null | 1.81 | null | null | has coordinates | Gerkin, Roger E.
2-Bromo-3-methyl-2-butenoic Acid (2-Bromosenecioic Acid)
Acta Crystallographica Section C
53(9)
(1997)
1278-1280 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006475.cif $
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2,006,476 | 19.604 | 0.002 | 9.7659 | 0.0012 | 17.8787 | 0.0018 | 90 | null | 105.524 | 0.008 | 90 | null | 3,298 | 0.6 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | 2,13-Dithia[3]metacyclo[3](2,3)-naphthalenophane | - C20 H18 S2 - | - C20 H18 S2 - | - C160 H144 S16 - | 8 | 1 | FG1295 | Jones, Peter G.; Kuś, Piotr | 2,13-Dithia[3]metacyclo[3](2,3)naphthalenophane and 2,13-Dithia[3]metacyclo[3](1,7)naphthalenophane | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1307 | 1310 | 10.1107/S0108270197003946 | 0.71073 | MoKα | 0.0476 | 0.0354 | null | 0.0976 | 0.0934 | null | null | null | 1.025 | 1.119 | 1.119 | null | null | null | has coordinates | Jones, Peter G.; Kuś, Piotr
2,13-Dithia[3]metacyclo[3](2,3)naphthalenophane and 2,13-Dithia[3]metacyclo[3](1,7)naphthalenophane
Acta Crystallographica Section C
53(9)
(1997)
1307-1310 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006476.cif $
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2,006,477 | 8.846 | 0.002 | 13.178 | 0.003 | 13.876 | 0.003 | 90 | null | 101.28 | 0.02 | 90 | null | 1,586.3 | 0.6 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 2,13-Dithia[3]metacyclo[3](1,7)-naphthalenophane | - C20 H18 S2 - | - C20 H18 S2 - | - C80 H72 S8 - | 4 | 1 | FG1295 | Jones, Peter G.; Kuś, Piotr | 2,13-Dithia[3]metacyclo[3](2,3)naphthalenophane and 2,13-Dithia[3]metacyclo[3](1,7)naphthalenophane | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1307 | 1310 | 10.1107/S0108270197003946 | 0.71073 | MoKα | 0.09 | 0.0513 | null | 0.1273 | 0.1147 | null | null | null | 0.921 | 1.064 | 1.064 | null | null | null | has coordinates | Jones, Peter G.; Kuś, Piotr
2,13-Dithia[3]metacyclo[3](2,3)naphthalenophane and 2,13-Dithia[3]metacyclo[3](1,7)naphthalenophane
Acta Crystallographica Section C
53(9)
(1997)
1307-1310 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,478 | 20.12 | 0.004 | 13.075 | 0.004 | 6.149 | 0.004 | 90 | null | 90 | null | 90 | null | 1,617.6 | 1.2 | 294 | null | 294 | null | null | null | null | null | 3 | P n a 21 | P 2c -2n | 33 | - C18 H26 O - | - C18 H26 O - | - C72 H104 O4 - | 4 | 1 | FG1298 | Fu, Tai Y.; Leibovitch, Mordechai; Scheffer, John R.; Trotter, James | (<i>Z</i>)-1-Benzoyl-4-<i>tert</i>-butyl-1-methylcyclohexane and (<i>Z</i>)-4-<i>tert</i>-Butyl-1-methyl-1-thiobenzoylcyclohexane | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1255 | 1256 | 10.1107/S0108270197005283 | 1.5418 | CuKα | 0.0627 | 0.0368 | null | null | null | 0.1104 | null | null | null | null | null | 1.12 | null | null | has coordinates | Fu, Tai Y.; Leibovitch, Mordechai; Scheffer, John R.; Trotter, James
(<i>Z</i>)-1-Benzoyl-4-<i>tert</i>-butyl-1-methylcyclohexane and (<i>Z</i>)-4-<i>tert</i>-Butyl-1-methyl-1-thiobenzoylcyclohexane
Acta Crystallographica Section C
53(9)
(1997)
1255-1256 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,479 | 12.853 | 0.001 | 32.252 | 0.003 | 7.945 | 0.001 | 90 | null | 90 | null | 90 | null | 3,293.5 | 0.6 | 294 | null | 294 | null | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | - C18 H26 S - | - C18 H26 S - | - C144 H208 S8 - | 8 | 1 | FG1298 | Fu, Tai Y.; Leibovitch, Mordechai; Scheffer, John R.; Trotter, James | (<i>Z</i>)-1-Benzoyl-4-<i>tert</i>-butyl-1-methylcyclohexane and (<i>Z</i>)-4-<i>tert</i>-Butyl-1-methyl-1-thiobenzoylcyclohexane | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1255 | 1256 | 10.1107/S0108270197005283 | 1.5418 | CuKα | 0.0641 | 0.0472 | null | null | null | 0.1189 | null | null | null | null | null | 2.36 | null | null | has coordinates | Fu, Tai Y.; Leibovitch, Mordechai; Scheffer, John R.; Trotter, James
(<i>Z</i>)-1-Benzoyl-4-<i>tert</i>-butyl-1-methylcyclohexane and (<i>Z</i>)-4-<i>tert</i>-Butyl-1-methyl-1-thiobenzoylcyclohexane
Acta Crystallographica Section C
53(9)
(1997)
1255-1256 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,230,190 | 10.6685 | 0.0004 | 16.819 | 0.0005 | 14.126 | 0.0005 | 90 | null | 106.303 | 0.003 | 90 | null | 2,432.76 | 0.15 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxypropyl)-3,3,6,6-tetramethyl- 1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione | - C26 H32 Br N O4 - | - C26 H32 Br N O4 - | - C104 H128 Br4 N4 O16 - | 4 | 1 | XU5192 | Khalilov, Ali N.; Abdelhamid, Antar A.; Gurbanov, Atash V.; Ng, Seik Weng | 9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxypropyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1146 | 10.1107/S1600536811013481 | 0.71073 | MoKα | 0.0812 | 0.0533 | null | null | 0.1196 | 0.1352 | null | null | null | null | null | 1.033 | null | null | has coordinates,has disorder,has Fobs | Khalilov, Ali N.; Abdelhamid, Antar A.; Gurbanov, Atash V.; Ng, Seik Weng
9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxypropyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
Acta Crystallographica Section E
67(5)
(2011)
o1146 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230190.cif $
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2,006,480 | 23.91 | 0.003 | 5.492 | 0.004 | 16.831 | 0.003 | 90 | null | 112.208 | 0.012 | 90 | null | 2,046.2 | 1.6 | 200 | 1 | 200 | 1 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Diethyl-bis-thiophenyl propenoato tin complex | - C18 H20 O4 S2 Sn - | - C18 H20 O4 S2 Sn - | - C72 H80 O16 S8 Sn4 - | 4 | 0.5 | FG1299 | Parvez, Masood; Ali, Saqib; Masood, Tariq M.; Mazhar, Muhammad; Danish, Muhammad | Diethylbis[3-(2-thienyl)-2-propenoato-<i>O</i>,<i>O</i>']tin(IV) | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1211 | 1213 | 10.1107/S0108270197005210 | 0.71069 | MoKα | 0.0582 | 0.0334 | null | 0.211 | 0.0839 | null | null | null | 1.215 | 1.204 | 1.204 | null | null | null | has coordinates | Parvez, Masood; Ali, Saqib; Masood, Tariq M.; Mazhar, Muhammad; Danish, Muhammad
Diethylbis[3-(2-thienyl)-2-propenoato-<i>O</i>,<i>O</i>']tin(IV)
Acta Crystallographica Section C
53(9)
(1997)
1211-1213 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006480.cif $
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2,006,481 | 11.65 | 0.003 | 8.53 | 0.007 | 26.837 | 0.003 | 90 | null | 97.6 | 0.01 | 90 | null | 2,643 | 2 | 294 | null | 294 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C28 H37 N O5 - | - C28 H37 N O5 - | - C112 H148 N4 O20 - | 4 | 2 | FG1301 | Fu, Tai Y.; Scheffer, John R.; Trotter, James | 4-[2,4,6-Tris(1-methylethyl)benzoyl]benzoic Acid (<i>S</i>)-({-})-Proline | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1259 | 1262 | 10.1107/S0108270197005295 | 1.5418 | CuKα | 0.089 | 0.053 | null | null | null | 0.149 | null | null | null | null | null | 1.66 | null | null | has coordinates | Fu, Tai Y.; Scheffer, John R.; Trotter, James
4-[2,4,6-Tris(1-methylethyl)benzoyl]benzoic Acid (<i>S</i>)-({-})-Proline
Acta Crystallographica Section C
53(9)
(1997)
1259-1262 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006481.cif $
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2,006,482 | 12.9397 | 0.0012 | 4.9019 | 0.0004 | 23.18 | 0.0003 | 90 | null | 90.703 | 0.009 | 90 | null | 1,470.18 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2,6,7-Trimethyl-3-(2'-pyridine)-3,4-dihydro-4-oxoquinazoline-8-carboxylic Acid | - C17 H15 N3 O3 - | - C17 H15 N3 O3 - | - C68 H60 N12 O12 - | 4 | 1 | FG1307 | Kubicki, Maciej; Szkaradzińska, Maria B.; Codding, Penelope W. | 3,4-Dihydro-2,6,7-trimethyl-4-oxo-3-(2-pyridyl)quinazoline-8-carboxylic Acid | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1291 | 1293 | 10.1107/S0108270197005659 | 1.54178 | CuKα | 0.0934 | 0.0534 | null | 0.1949 | 0.1214 | null | null | null | 1.307 | 0.993 | 0.993 | null | null | null | has coordinates | Kubicki, Maciej; Szkaradzińska, Maria B.; Codding, Penelope W.
3,4-Dihydro-2,6,7-trimethyl-4-oxo-3-(2-pyridyl)quinazoline-8-carboxylic Acid
Acta Crystallographica Section C
53(9)
(1997)
1291-1293 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006482.cif $
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2,006,483 | 9.751 | 0.001 | 12.133 | 0.0002 | 13.9205 | 0.0009 | 90 | null | 105.654 | 0.008 | 90 | null | 1,585.8 | 0.2 | 293 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H26 O2 - | - C18 H26 O2 - | - C72 H104 O8 - | 4 | 1 | FG1311 | Caracelli, I.; Iulek, J.; Neves, Ademir; Vencato, Ivo; Silva Jr, F.; Brocksom, Timothy John; Zukerman-Schpector, J. | Intermediates in the Synthesis of Cembrane Diterpenes. I | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1282 | 1284 | 10.1107/S0108270197005325 | 0.71073 | MoKα | 0.1147 | 0.0574 | null | 0.1824 | 0.1378 | null | null | null | 1.1 | 1.101 | 1.101 | null | null | null | has coordinates | Caracelli, I.; Iulek, J.; Neves, Ademir; Vencato, Ivo; Silva Jr, F.; Brocksom, Timothy John; Zukerman-Schpector, J.
Intermediates in the Synthesis of Cembrane Diterpenes. I
Acta Crystallographica Section C
53(9)
(1997)
1282-1284 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,230,189 | 12.5739 | 0.0009 | 22.0375 | 0.0012 | 10.7453 | 0.0008 | 90 | null | 110.342 | 0.008 | 90 | null | 2,791.8 | 0.4 | 100 | 2 | 100 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 3-Acetyl-5-hydroxy-2-methylanthra[1,2-<i>b</i>]furan-6,11-dione | - C19 H12 O5 - | - C19 H12 O5 - | - C152 H96 O40 - | 8 | 2 | XU5188 | Ahmad, Rohaya; Jeinie, Mohamad Faiz; Ismail, Nor Hadiani; Hazni, Hazrina; Ng, Seik Weng | 3-Acetyl-5-hydroxy-2-methylanthra[1,2-<i>b</i>]furan-6,11-dione | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1144 | 10.1107/S1600536811013389 | 0.71073 | MoKα | 0.1632 | 0.0678 | null | null | 0.11 | 0.1494 | null | null | null | null | null | 0.948 | null | null | has coordinates,has Fobs | Ahmad, Rohaya; Jeinie, Mohamad Faiz; Ismail, Nor Hadiani; Hazni, Hazrina; Ng, Seik Weng
3-Acetyl-5-hydroxy-2-methylanthra[1,2-<i>b</i>]furan-6,11-dione
Acta Crystallographica Section E
67(5)
(2011)
o1144 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230189.cif $
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2,006,484 | 12.038 | 0.002 | 5.506 | 0.001 | 13.087 | 0.001 | 90 | null | 94.576 | 0.009 | 90 | null | 864.7 | 0.2 | 208 | null | 208 | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | (+)-trans-2-phenylcyclopropanecarboxylic acid | (+)-trans-(1S,2S)-2-phenylcyclopropanecarboxylic acid | - C10 H10 O2 - | - C10 H10 O2 - | - C40 H40 O8 - | 4 | 2 | FG1312 | Gerkin, Roger E. | Hydrogen Bonding and Ring Asymmetry in a Substituted Cyclopropane: (+)-<i>trans</i>-(1<i>S</i>,2<i>S</i>)-2-Phenylcyclopropanecarboxylic Acid at 208K | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1280 | 1282 | 10.1107/S0108270197005660 | 0.71073 | MoKα | null | 0.058 | null | null | null | 0.068 | null | null | null | null | null | 1.6 | null | null | has coordinates | Gerkin, Roger E.
Hydrogen Bonding and Ring Asymmetry in a Substituted Cyclopropane: (+)-<i>trans</i>-(1<i>S</i>,2<i>S</i>)-2-Phenylcyclopropanecarboxylic Acid at 208K
Acta Crystallographica Section C
53(9)
(1997)
1280-1282 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006484.cif $
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2,006,485 | 10.5549 | 0.001 | 14.3979 | 0.0014 | 18.135 | 0.0002 | 96.474 | 0.008 | 90.053 | 0.006 | 96.379 | 0.008 | 2,721.2 | 0.4 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C45 H54 Cl13 O4 P3 - | - C45 H54 Cl13 O4 P3 - | - C90 H108 Cl26 O8 P6 - | 2 | 1 | FG1315 | Thönnessen, Holger; Jones, Peter G.; Schmutzler, Reinhard; Gloede, Jörg | An Unusual Calix[4]arene Derivative Containing Phosphorus with Coordination Numbers 4, 5 and 6 | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1310 | 1312 | 10.1107/S0108270197004721 | 0.71073 | MoKα | 0.0835 | 0.0575 | null | 0.1818 | 0.1587 | null | null | null | 1.049 | 1.172 | 1.172 | null | null | null | has coordinates,has disorder | Thönnessen, Holger; Jones, Peter G.; Schmutzler, Reinhard; Gloede, Jörg
An Unusual Calix[4]arene Derivative Containing Phosphorus with Coordination Numbers 4, 5 and 6
Acta Crystallographica Section C
53(9)
(1997)
1310-1312 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,486 | 9.218 | 0.002 | 16.055 | 0.004 | 13.804 | 0.002 | 90 | null | 94.89 | 0.02 | 90 | null | 2,035.5 | 0.7 | 294 | null | 294 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C22 H28 S - | - C22 H28 S - | - C88 H112 S4 - | 4 | 1 | FG1319 | Fu, Tai Y.; Scheffer, John R.; Trotter, James | Phenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione and 4-Methoxyphenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1257 | 1259 | 10.1107/S0108270197005246 | 0.7107 | MoKα | null | 0.0513 | null | null | null | 0.1553 | null | null | null | null | null | 1.31 | null | null | has coordinates | Fu, Tai Y.; Scheffer, John R.; Trotter, James
Phenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione and 4-Methoxyphenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione
Acta Crystallographica Section C
53(9)
(1997)
1257-1259 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006486.cif $
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2,006,487 | 11.336 | 0.001 | 13.136 | 0.002 | 14.24 | 0.002 | 90 | null | 96.667 | 0.009 | 90 | null | 2,106.1 | 0.5 | 294 | null | 294 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C23 H30 O S - | - C23 H30 O S - | - C92 H120 O4 S4 - | 4 | 1 | FG1319 | Fu, Tai Y.; Scheffer, John R.; Trotter, James | Phenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione and 4-Methoxyphenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1257 | 1259 | 10.1107/S0108270197005246 | 1.5418 | CuKα | null | 0.0472 | null | null | null | 0.1445 | null | null | null | null | null | 2.03 | null | null | has coordinates | Fu, Tai Y.; Scheffer, John R.; Trotter, James
Phenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione and 4-Methoxyphenyl[2,4,6-tris(1-methylethyl)phenyl]methanethione
Acta Crystallographica Section C
53(9)
(1997)
1257-1259 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,488 | 7.8306 | 0.0008 | 10.0242 | 0.0008 | 9.5404 | 0.0012 | 90 | null | 92.282 | 0.01 | 90 | null | 748.28 | 0.14 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | N-chlorodimesylamine | - C2 H6 Cl N O4 S2 - | - C2 H6 Cl N O4 S2 - | - C8 H24 Cl4 N4 O16 S8 - | 4 | 1 | FG1321 | Moers, Oliver; Blaschette, Armand; Jones, Peter G. | Polysulfonylamines. LXXXV. <i>N</i>-Chlorodimesylamine | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1305 | 1307 | 10.1107/S0108270197005301 | 0.71073 | MoKα | 0.0222 | 0.0207 | null | 0.0555 | 0.0549 | null | null | null | 1.07 | 1.09 | 1.09 | null | null | null | has coordinates | Moers, Oliver; Blaschette, Armand; Jones, Peter G.
Polysulfonylamines. LXXXV. <i>N</i>-Chlorodimesylamine
Acta Crystallographica Section C
53(9)
(1997)
1305-1307 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,230,188 | 8.74 | 0.003 | 12.464 | 0.004 | 12.464 | 0.004 | 76.103 | 0.004 | 81.491 | 0.006 | 81.491 | 0.006 | 1,294.6 | 0.7 | 296 | 2 | 296 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | 1-(2-Fluorobenzyl)quinolinium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>,<i>S</i>')\ nickelate(III) | - C22 H13 F N Ni S10 - | - C22 H13 F N Ni S10 - | - C44 H26 F2 N2 Ni2 S20 - | 2 | 1 | XU5187 | Shan, Wen-Wen; Zhang, Peng; Hu, Xi-Ying | 1-(2-Fluorobenzyl)quinolinium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m634 | 10.1107/S1600536811014899 | 0.71073 | MoKα | 0.0849 | 0.0519 | null | null | 0.0757 | 0.0823 | null | null | null | null | null | 0.985 | null | null | has coordinates,has Fobs | Shan, Wen-Wen; Zhang, Peng; Hu, Xi-Ying
1-(2-Fluorobenzyl)quinolinium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III)
Acta Crystallographica Section E
67(5)
(2011)
m634 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230188.cif $
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2,006,489 | 16.84 | 0.004 | 10.859 | 0.003 | 10.039 | 0.002 | 90 | null | 90 | null | 90 | null | 1,835.8 | 0.8 | 178 | 2 | 178 | 2 | null | null | null | null | 5 | C m c 21 | C 2c -2 | 36 | (Acetonitrilo)(η^5^-1,3-di-t-butylcyclopentadienyl)trichloromolybdenum(IV) | - C15 H24 Cl3 Mo N - | - C15 H24 Cl3 Mo N - | - C60 H96 Cl12 Mo4 N4 - | 4 | 0.5 | FG1323 | Scheer, Manfred; Jones, Peter G. | (Acetonitrile-<i>N</i>)trichloro(η^5^-1,3-di-<i>tert</i>-butylcyclopentadienyl)molybdenum(IV) | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1198 | 1199 | 10.1107/S0108270197005313 | 0.71073 | MoKα | 0.0176 | 0.0173 | null | 0.0435 | 0.0433 | null | null | null | 1.123 | 1.127 | 1.127 | null | null | null | has coordinates | Scheer, Manfred; Jones, Peter G.
(Acetonitrile-<i>N</i>)trichloro(η^5^-1,3-di-<i>tert</i>-butylcyclopentadienyl)molybdenum(IV)
Acta Crystallographica Section C
53(9)
(1997)
1198-1199 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006489.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,490 | 6.0389 | 0.0004 | 32.772 | 0.003 | 7.3695 | 0.0008 | 90 | null | 97.75 | 0.008 | 90 | null | 1,445.2 | 0.2 | 173 | 2 | 173 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | Silver(I) Di(4-fluorobenzenesulfonyl)amide Monohydrate | - C12 H10 Ag F2 N O5 S2 - | - C12 H10 Ag F2 N O5 S2 - | - C48 H40 Ag4 F8 N4 O20 S8 - | 4 | 1 | FG1325 | Weitze, Achim; Blaschette, Armand; Jones, Peter G. | Polysulfonylamines. LXXXVI. Silver(I) Bis(4-fluorobenzenesulfonyl)amide Monohydrate | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1195 | 1197 | 10.1107/S0108270197005672 | 0.71073 | MoKα | 0.0382 | 0.0274 | null | 0.0661 | 0.0628 | null | null | null | 1.045 | 1.113 | 1.113 | null | null | null | has coordinates | Weitze, Achim; Blaschette, Armand; Jones, Peter G.
Polysulfonylamines. LXXXVI. Silver(I) Bis(4-fluorobenzenesulfonyl)amide Monohydrate
Acta Crystallographica Section C
53(9)
(1997)
1195-1197 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006490.cif $
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2,006,491 | 9.941 | 0.002 | 12.084 | 0.003 | 14.001 | 0.003 | 90 | null | 110.14 | 0.02 | 90 | null | 1,579.1 | 0.6 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | bis[1-(β-naphthyliminomethyl)-2-naphtholato-N,O]nickel(II) | - C42 H28 N2 Ni O2 - | - C42 H28 N2 Ni O2 - | - C84 H56 N4 Ni2 O4 - | 2 | 0.5 | FG1334 | Gavranić, Marijana; Kaitner, Branko; Meštrović, Ernest | Bis[<i>N</i>-(β-naphthyl)-2-oxy-1-naphthaldiminato]nickel(II) | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1232 | 1234 | 10.1107/S0108270197007038 | 0.71069 | MolybdenumKα | null | 0.034 | null | null | 0.054 | null | null | null | null | 1.05 | 1.05 | null | null | null | has coordinates | Gavranić, Marijana; Kaitner, Branko; Meštrović, Ernest
Bis[<i>N</i>-(β-naphthyl)-2-oxy-1-naphthaldiminato]nickel(II)
Acta Crystallographica Section C
53(9)
(1997)
1232-1234 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006491.cif $
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2,006,492 | 11.697 | 0.006 | 12.788 | 0.007 | 14.138 | 0.007 | 99.72 | 0.04 | 100.14 | 0.04 | 109.04 | 0.03 | 1,908.8 | 1.8 | 143 | 2 | 143 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C45 H41 N5 O7 - | - C45 H41 N5 O7 - | - C90 H82 N10 O14 - | 2 | 1 | FG1339 | Johannes, Hans-Hermann; Grahn, Walter; Dix, Ina; Jones, Peter G. | 1,3,3-Trimethyl-5-styryl-2-[(1,3,3-trimethyl-5-styryl-2-indolinylidene)methyl]-3<i>H</i>-indolinium Picrate: an Extended Trichromophoric System | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1363 | 1366 | 10.1107/S0108270197007609 | 0.71073 | MoKα | 0.158 | 0.071 | null | 0.145 | 0.11 | null | null | null | 1.041 | 1.123 | 1.123 | null | null | null | has coordinates | Johannes, Hans-Hermann; Grahn, Walter; Dix, Ina; Jones, Peter G.
1,3,3-Trimethyl-5-styryl-2-[(1,3,3-trimethyl-5-styryl-2-indolinylidene)methyl]-3<i>H</i>-indolinium Picrate: an Extended Trichromophoric System
Acta Crystallographica Section C
53(9)
(1997)
1363-1366 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006492.cif $
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2,006,493 | 7.946 | 0.002 | 7.19 | 0.003 | 13.593 | 0.002 | 90 | null | 94.58 | 0.01 | 90 | null | 774.1 | 0.4 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C9 H6 N2 O2 - | - C9 H6 N2 O2 - | - C36 H24 N8 O8 - | 4 | 1 | FR1032 | Okabe, Nobuo; Akita, Mayumi | 5-Hydroxyimino-8-quinolone | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1324 | 1325 | 10.1107/S0108270197006227 | 0.71069 | MoKα | null | 0.063 | null | null | 0.058 | null | null | null | null | 1.46 | 1.46 | null | null | null | has coordinates | Okabe, Nobuo; Akita, Mayumi
5-Hydroxyimino-8-quinolone
Acta Crystallographica Section C
53(9)
(1997)
1324-1325 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,230,187 | 14.6313 | 0.0011 | 8.1579 | 0.0006 | 16.4455 | 0.0012 | 90 | null | 109.04 | 0.001 | 90 | null | 1,855.6 | 0.2 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 3-[2-Hydroxy-3-(2,4,6-trimethylphenyl)propyl]-3-methyl-1-phenylthiourea | - C20 H26 N2 O S - | - C20 H26 N2 O S - | - C80 H104 N8 O4 S4 - | 4 | 1 | XU5185 | Maharramov, Abel M.; Khalilov, Ali N.; Sadikhova, Nurlana D.; Gurbanov, Atash V.; Ng, Seik Weng | 3-[2-Hydroxy-3-(2,4,6-trimethylphenyl)propyl]-3-methyl-1-phenylthiourea | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1087 | 10.1107/S1600536811012736 | 0.71073 | MoKα | 0.0471 | 0.0393 | null | null | 0.1062 | 0.112 | null | null | null | null | null | 1.036 | null | null | has coordinates,has Fobs | Maharramov, Abel M.; Khalilov, Ali N.; Sadikhova, Nurlana D.; Gurbanov, Atash V.; Ng, Seik Weng
3-[2-Hydroxy-3-(2,4,6-trimethylphenyl)propyl]-3-methyl-1-phenylthiourea
Acta Crystallographica Section E
67(5)
(2011)
o1087 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230187.cif $
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2,006,494 | 7.6381 | 0.0002 | 8.0844 | 0.0001 | 12.5955 | 0.0004 | 99.042 | 0.001 | 93.042 | 0.002 | 92.225 | 0.002 | 766.14 | 0.03 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C14 H18 Cl N3 O4 - | - C14 H18 Cl N3 O4 - | - C28 H36 Cl2 N6 O8 - | 2 | 1 | FR1045 | Abboud, Khalil A.; Ortiz, Carlos G.; Palenik, Ruth C.; Palenik, Gus J. | 2-[1-(Salicyloylhydrazono)ethyl]pyridinium Chloride Dihydrate at 173K | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1322 | 1323 | 10.1107/S0108270197004745 | 0.71073 | MoKα | 0.043 | 0.036 | null | 0.108 | 0.09 | null | null | null | 1.094 | 1.092 | 1.092 | null | null | null | has coordinates | Abboud, Khalil A.; Ortiz, Carlos G.; Palenik, Ruth C.; Palenik, Gus J.
2-[1-(Salicyloylhydrazono)ethyl]pyridinium Chloride Dihydrate at 173K
Acta Crystallographica Section C
53(9)
(1997)
1322-1323 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006494.cif $
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2,006,495 | 19.824 | 0.002 | 5.373 | 0.002 | 21.638 | 0.001 | 90 | null | 113.308 | 0.006 | 90 | null | 2,116.7 | 0.8 | 296 | null | 296 | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | phenanthrene-9-carboxylic acid | phenanthrene-9-carboxylic acid | - C15 H10 O2 - | - C15 H10 O2 - | - C120 H80 O16 - | 8 | 1 | FR1046 | Fitzgerald, Lawrence J.; Gerkin, Roger E. | Phenanthrene-9-carboxylic Acid | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1265 | 1267 | 10.1107/S0108270197005787 | 0.71073 | MoKα | null | 0.044 | null | null | null | 0.048 | null | null | null | null | null | 1.64 | null | null | has coordinates | Fitzgerald, Lawrence J.; Gerkin, Roger E.
Phenanthrene-9-carboxylic Acid
Acta Crystallographica Section C
53(9)
(1997)
1265-1267 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,496 | 11.497 | 0.002 | 12.507 | 0.002 | 11.789 | 0.002 | 90 | null | 101.64 | 0.02 | 90 | null | 1,660.3 | 0.5 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | benzophenone-3,3',4,4'-tetracarboxylic acid dihydrate | - C17 H14 O11 - | - C17 H14 O11 - | - C68 H56 O44 - | 4 | 1 | FR1049 | Fitzgerald, Lawrence J.; Gerkin, Roger E. | Benzophenone-3,3',4,4'-tetracarboxylic Acid Dihydrate | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1267 | 1270 | 10.1107/S0108270197006069 | 0.71073 | MoKα | null | 0.054 | null | null | null | 0.049 | null | null | null | null | null | 1.49 | null | null | has coordinates | Fitzgerald, Lawrence J.; Gerkin, Roger E.
Benzophenone-3,3',4,4'-tetracarboxylic Acid Dihydrate
Acta Crystallographica Section C
53(9)
(1997)
1267-1270 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,497 | 6.686 | 0.003 | 11.304 | 0.009 | 6.399 | 0.002 | 95.46 | 0.04 | 113.56 | 0.03 | 83.54 | 0.05 | 439.8 | 0.4 | 293 | null | 293 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | 4,4-dimethyl-5-iodo-2-oxazineone | - C6 H10 I N O2 - | - C6 H9 I N O2 - | - C12 H18 I2 N2 O4 - | 2 | 1 | FR1050 | Mague, Joel T.; Ensley, Harry E.; Ling, Jing | Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1347 | 1350 | 10.1107/S0108270197006070 | 0.71073 | MoKα | 0.08 | 0.064 | null | null | 0.082 | null | null | null | null | 2.216 | 2.216 | null | null | null | has coordinates | Mague, Joel T.; Ensley, Harry E.; Ling, Jing
Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates
Acta Crystallographica Section C
53(9)
(1997)
1347-1350 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006497.cif $
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2,006,498 | 6.165 | 0.0009 | 6.762 | 0.001 | 11.761 | 0.001 | 102.81 | 0.01 | 90.09 | 0.01 | 117.05 | 0.01 | 422.82 | 0.11 | 293 | null | 293 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | 1-methyl-1-(1-iodoethyl)-2-oxazolidinone | - C6 H10 I N O2 - | - C6 H10 I N O2 - | - C12 H20 I2 N2 O4 - | 2 | 1 | FR1050 | Mague, Joel T.; Ensley, Harry E.; Ling, Jing | Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1347 | 1350 | 10.1107/S0108270197006070 | 0.71073 | MoKα | 0.032 | 0.025 | null | null | 0.037 | null | null | null | null | 1.39 | 1.39 | null | null | null | has coordinates | Mague, Joel T.; Ensley, Harry E.; Ling, Jing
Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates
Acta Crystallographica Section C
53(9)
(1997)
1347-1350 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/64/2006498.cif $
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2,006,499 | 42.768 | 0.009 | 11.338 | 0.002 | 10.123 | 0.001 | 90 | null | 102.16 | 0.01 | 90 | null | 4,798.5 | 1.4 | 293 | null | 293 | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 5-iodo-6-(n-pentyl)-2-oxazineone | - C9 H16 I N O2 - | - C9 H16 I N O2 - | - C144 H256 I16 N16 O32 - | 16 | 2 | FR1050 | Mague, Joel T.; Ensley, Harry E.; Ling, Jing | Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1347 | 1350 | 10.1107/S0108270197006070 | 0.71073 | MoKα | 0.086 | 0.039 | null | null | 0.05 | null | null | null | null | 1.86 | 1.86 | null | null | null | has coordinates,has Fobs | Mague, Joel T.; Ensley, Harry E.; Ling, Jing
Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates
Acta Crystallographica Section C
53(9)
(1997)
1347-1350 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
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2,006,500 | 9.07 | 0.001 | 9.734 | 0.001 | 9.779 | 0.002 | 117.86 | 0.01 | 112.16 | 0.01 | 92.36 | 0.01 | 681.5 | 0.2 | 300 | 2 | 300 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Tetrakis(3-picoline)palladium(II) chloride trihydrate | - C24 H32 Cl2 N4 O2 Pd - | - C24 H36 Cl2 N4 O2 Pd - | - C24 H36 Cl2 N4 O2 Pd - | 1 | 0.5 | JZ1170 | Chen, Wei; Liu, Cai-ming; Xiong, Ren-gen; You, Xiao-zeng | 4:1 Lewis Base Adducts of Palladium Dichloride: [Pd(3-picoline)~4~]Cl~2~.2H~2~O | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1218 | 1220 | 10.1107/S0108270197002576 | 0.71073 | MoKα | 0.032 | 0.032 | null | 0.083 | 0.083 | null | null | null | 1.109 | 1.113 | 1.113 | null | null | null | has coordinates | Chen, Wei; Liu, Cai-ming; Xiong, Ren-gen; You, Xiao-zeng
4:1 Lewis Base Adducts of Palladium Dichloride: [Pd(3-picoline)~4~]Cl~2~.2H~2~O
Acta Crystallographica Section C
53(9)
(1997)
1218-1220 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,230,186 | 7.2244 | 0.0005 | 9.3201 | 0.0008 | 14.9422 | 0.0009 | 98.449 | 0.002 | 99.183 | 0.004 | 99.478 | 0.004 | 964.01 | 0.12 | 294 | 2 | 294 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | (2<i>E</i>)-3-[4-(1<i>H</i>-Benzimidazol-2-ylmethoxy)phenyl]- 1-(4-methoxyphenyl)prop-2-en-1-one | - C24 H20 N2 O3 - | - C24 H20 N2 O3 - | - C48 H40 N4 O6 - | 2 | 1 | XU5184 | Akkurt, Mehmet; Baktır, Zeliha; Samshuddin, S.; Narayana, B.; Yathirajan, H. S. | (2<i>E</i>)-3-[4-(1<i>H</i>-Benzimidazol-2-ylmethoxy)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1088 | o1089 | 10.1107/S1600536811012645 | 0.71073 | MoKα | 0.111 | 0.0587 | null | null | 0.1234 | 0.1619 | null | null | null | null | null | 1.072 | null | null | has coordinates,has Fobs | Akkurt, Mehmet; Baktır, Zeliha; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.
(2<i>E</i>)-3-[4-(1<i>H</i>-Benzimidazol-2-ylmethoxy)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
Acta Crystallographica Section E
67(5)
(2011)
o1088-o1089 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,006,501 | 13.869 | 0.001 | 12.606 | 0.002 | 19.699 | 0.005 | 90 | null | 96.94 | 0.01 | 90 | null | 3,418.8 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | Carbonylchloro[2-(diphenylphosphanyl)thiophenolato-P,S]hydridotriphenyl phosphaneiridium(III)-Dichloromethane-(4:1)-Solvate | - C37.25 H30.5 Cl1.5 Ir O P2 S - | - C37.25 H30.5 Cl1.5 Ir O P2 S - | - C149 H122 Cl6 Ir4 O4 P8 S4 - | 4 | 1 | JZ1186 | Dahlenburg, Lutz | Carbonylchloro[2-(diphenylphosphino)thiophenolato-<i>P</i>,<i>S</i>]hydrido(triphenylphosphine-<i>P</i>)iridium(III)‒Dichloromethane Solvate (4/1) | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1190 | 1192 | 10.1107/S0108270197005167 | 0.7107 | MoKα | 0.0846 | 0.0555 | null | 0.1672 | 0.1462 | null | null | null | 1.068 | 1.123 | 1.123 | null | null | null | has coordinates | Dahlenburg, Lutz
Carbonylchloro[2-(diphenylphosphino)thiophenolato-<i>P</i>,<i>S</i>]hydrido(triphenylphosphine-<i>P</i>)iridium(III)‒Dichloromethane Solvate (4/1)
Acta Crystallographica Section C
53(9)
(1997)
1190-1192 | 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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2,006,502 | 14.4318 | 0.0014 | 10.2646 | 0.001 | 17.997 | 0.002 | 90 | null | 103.689 | 0.001 | 90 | null | 2,590.3 | 0.5 | 123 | 2 | 123 | 2 | null | null | null | null | 6 | P 1 n 1 | P -2yac | 7 | (±)-tert-Butyl 3-Hydroxy-4-methyl-2-[(toluolsulfonyl)amino]butanoate | - C23 H31 Cl2 N O5 S - | - C23 H31 Cl2 N O5 S - | - C92 H124 Cl8 N4 O20 S4 - | 4 | 2 | JZ1189 | Görbitz, Carl Henrik; Kazmaier, Uli; Grandel, Roland | (±)-<i>tert</i>-Butyl 3-Hydroxy-4-phenyl-2-(<i>p</i>-toluenesulfonylamino)pentanoate–Dichloromethane (1/1): a Pseudo Centre of Symmetry in an Enantiomeric Pair | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1302 | 1305 | 10.1107/S0108270197006033 | 0.71073 | MoKα | 0.0466 | 0.0412 | null | 0.0982 | 0.0937 | null | null | null | 1.086 | 1.08 | 1.08 | null | null | null | has coordinates,has disorder,has Fobs | Görbitz, Carl Henrik; Kazmaier, Uli; Grandel, Roland
(±)-<i>tert</i>-Butyl 3-Hydroxy-4-phenyl-2-(<i>p</i>-toluenesulfonylamino)pentanoate–Dichloromethane (1/1): a Pseudo Centre of Symmetry in an Enantiomeric Pair
Acta Crystallographica Section C
53(9)
(1997)
1302-1305 | 301,791 | 2025-08-18 | 23:15:28 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,503 | 7.875 | 0.003 | 24.756 | 0.01 | 14.582 | 0.006 | 90 | null | 104.26 | 0.03 | 90 | null | 2,755.2 | 1.9 | 126 | 2 | 126 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | compound (1) | 13^1^-Deoxo-17-depropionic acid-17-propionyl-phytochlorin | - C33 H40 N4 - | - C33 H40 N4 - | - C132 H160 N16 - | 4 | 2 | JZ1193 | Senge, Mathias O.; Smith, Kevin M. | Structure and Conformation of Photosynthetic Pigments and Related Compounds. 10. Comparison of a Phytochlorin and Phytoporphyrin Derived from Chlorophyll <i>a</i> | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1314 | 1318 | 10.1107/S0108270197003648 | 0.71073 | MoKα | 0.0824 | 0.0576 | null | 0.1397 | 0.1257 | null | null | null | 1.022 | 1.069 | 1.069 | null | null | null | has coordinates | Senge, Mathias O.; Smith, Kevin M.
Structure and Conformation of Photosynthetic Pigments and Related Compounds. 10. Comparison of a Phytochlorin and Phytoporphyrin Derived from Chlorophyll <i>a</i>
Acta Crystallographica Section C
53(9)
(1997)
1314-1318 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,230,185 | 7.712 | 0.0005 | 9.2713 | 0.0006 | 13.2452 | 0.0009 | 75.529 | 0.001 | 76.216 | 0.001 | 78.117 | 0.001 | 879.73 | 0.1 | 294 | null | 294 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | Poly[[octaaquatetrakis(μ~3~-pyridine-2,5- dicarboxylato)copper(II)diytterbium(III)] monohydrate] | - C28 H30 Cu N4 O25 Yb2 - | - C28 H30 Cu N4 O25 Yb2 - | - C28 H30 Cu N4 O25 Yb2 - | 1 | 0.5 | XU5183 | Lush, Shie Fu; Shen, Fwu Ming | Poly[[octaaquatetrakis(μ~3~-pyridine-2,5-dicarboxylato)copper(II)diytterbium(III)] monohydrate] | Acta Crystallographica Section E | 2,011 | 67 | 5 | m615 | m616 | 10.1107/S1600536811014048 | 0.71073 | MoKα | 0.0482 | 0.0439 | null | null | 0.0936 | 0.0954 | null | null | null | null | null | 1.179 | null | null | has coordinates,has Fobs | Lush, Shie Fu; Shen, Fwu Ming
Poly[[octaaquatetrakis(μ~3~-pyridine-2,5-dicarboxylato)copper(II)diytterbium(III)] monohydrate]
Acta Crystallographica Section E
67(5)
(2011)
m615-m616 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
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2,006,504 | 9.703 | 0.003 | 11.906 | 0.002 | 13.685 | 0.003 | 99.11 | 0.02 | 107.84 | 0.02 | 106.67 | 0.02 | 1,388.1 | 0.7 | 126 | 2 | 126 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | compound (2) | Phytoporphyrin methyl ester | - C34 H36 N4 O3 - | - C34 H36 N4 O3 - | - C68 H72 N8 O6 - | 2 | 1 | JZ1193 | Senge, Mathias O.; Smith, Kevin M. | Structure and Conformation of Photosynthetic Pigments and Related Compounds. 10. Comparison of a Phytochlorin and Phytoporphyrin Derived from Chlorophyll <i>a</i> | Acta Crystallographica Section C | 1,997 | 53 | 9 | 1314 | 1318 | 10.1107/S0108270197003648 | 0.71073 | MoKα | 0.0909 | 0.0654 | null | 0.1985 | 0.1742 | null | null | null | 1.037 | 1.075 | 1.075 | null | null | null | has coordinates | Senge, Mathias O.; Smith, Kevin M.
Structure and Conformation of Photosynthetic Pigments and Related Compounds. 10. Comparison of a Phytochlorin and Phytoporphyrin Derived from Chlorophyll <i>a</i>
Acta Crystallographica Section C
53(9)
(1997)
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