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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,006,920 | 15.865 | 0.004 | 11.886 | 0.006 | 20.252 | 0.004 | 90 | null | 112.438 | 0.014 | 90 | null | 3,530 | 2 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 9-(o-tert-butylphenyl)-9-fluorenol | - C23 H22 O - | - C23 H22 O - | - C184 H176 O8 - | 8 | 2 | FG1380 | Robinson, Paul D.; Hou, Yuqing; Lutfi, Hisham G.; Meyers, Cal Y. | Exclusivity of the <i>sp</i> Rotamers of 9-(<i>o</i>-<i>tert</i>-Butylphenyl)fluorene and 9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol in Solution and the Crystalline State | Acta Crystallographica Section C | 1,998 | 54 | 1 | 73 | 77 | 10.1107/S0108270197012638 | 0.71069 | MoKα | 0.1362 | 0.0424 | null | 0.149 | null | 0.1074 | null | null | 1.012 | 1.111 | 1.111 | null | null | null | has coordinates | Robinson, Paul D.; Hou, Yuqing; Lutfi, Hisham G.; Meyers, Cal Y.
Exclusivity of the <i>sp</i> Rotamers of 9-(<i>o</i>-<i>tert</i>-Butylphenyl)fluorene and 9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol in Solution and the Crystalline State
Acta Crystallographica Section C
54(1)
(1998)
73-77 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006920.cif $
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2,230,115 | 6.7892 | 0.0006 | 10.1823 | 0.0009 | 24.267 | 0.002 | 90 | null | 92.901 | 0.001 | 90 | null | 1,675.4 | 0.3 | 297 | 2 | 297 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 1-(4,6-Dimethylpyrimidin-2-yl)-3-(3,5-dinitrobenzoyl)thiourea monohydrate | - C14 H14 N6 O6 S - | - C14 H14 N6 O6 S - | - C56 H56 N24 O24 S4 - | 4 | 1 | PV2402 | Saeed, Sohail; Rashid, Naghmana; Wong, Wing-Tak; Hussain, Rizwan | 1-(4,6-Dimethylpyrimidin-2-yl)-3-(3,5-dinitrobenzoyl)thiourea monohydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1094 | 10.1107/S1600536811012323 | 0.71073 | MoKα | 0.0444 | 0.0375 | null | null | 0.0996 | 0.1045 | null | null | null | null | null | 1.056 | null | null | has coordinates,has Fobs | Saeed, Sohail; Rashid, Naghmana; Wong, Wing-Tak; Hussain, Rizwan
1-(4,6-Dimethylpyrimidin-2-yl)-3-(3,5-dinitrobenzoyl)thiourea monohydrate
Acta Crystallographica Section E
67(5)
(2011)
o1094 | 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/2/23/01/2230115.cif $
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2,006,921 | 10.7211 | 0.0011 | 15.186 | 0.002 | 10.4816 | 0.0008 | 90 | null | 90 | null | 90 | null | 1,706.5 | 0.3 | 296 | null | 296 | null | null | null | null | null | 2 | P 21 21 21 | P 2ac 2ab | 19 | sp-9-(o-tert-butylphenyl)fluorene | - C23 H22 - | - C23 H22 - | - C92 H88 - | 4 | 1 | FG1380 | Robinson, Paul D.; Hou, Yuqing; Lutfi, Hisham G.; Meyers, Cal Y. | Exclusivity of the <i>sp</i> Rotamers of 9-(<i>o</i>-<i>tert</i>-Butylphenyl)fluorene and 9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol in Solution and the Crystalline State | Acta Crystallographica Section C | 1,998 | 54 | 1 | 73 | 77 | 10.1107/S0108270197012638 | 0.71069 | MoKα | 0.1041 | 0.038 | null | 0.1225 | null | 0.096 | null | null | 1.003 | 1.09 | 1.09 | null | null | null | has coordinates | Robinson, Paul D.; Hou, Yuqing; Lutfi, Hisham G.; Meyers, Cal Y.
Exclusivity of the <i>sp</i> Rotamers of 9-(<i>o</i>-<i>tert</i>-Butylphenyl)fluorene and 9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol in Solution and the Crystalline State
Acta Crystallographica Section C
54(1)
(1998)
73-77 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006921.cif $
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2,006,922 | 10.7794 | 0.001 | 7.8301 | 0.0008 | 11.8317 | 0.0012 | 90 | null | 97.505 | 0.008 | 90 | null | 990.09 | 0.17 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | 5-Amino-1-phenylsulfonyl-pyrazolin-3-one | - C9 H9 N3 O3 S - | - C9 H9 N3 O3 S - | - C36 H36 N12 O12 S4 - | 4 | 2 | FG1382 | Elgemeie, Galal E.H.; Hanfy, Nadia; Hopf, Henning; Jones, Peter G. | 5-Amino-1-phenylsulfonyl-4-pyrazolin-3-one | Acta Crystallographica Section C | 1,998 | 54 | 1 | 136 | 138 | 10.1107/S0108270197012420 | 0.71073 | MoKα | 0.0417 | 0.0328 | null | 0.0839 | 0.081 | null | null | null | 1.04 | 1.108 | 1.108 | null | null | null | has coordinates | Elgemeie, Galal E.H.; Hanfy, Nadia; Hopf, Henning; Jones, Peter G.
5-Amino-1-phenylsulfonyl-4-pyrazolin-3-one
Acta Crystallographica Section C
54(1)
(1998)
136-138 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006922.cif $
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2,006,923 | 4.71 | 0.001 | 14.5119 | 0.0015 | 12.212 | 0.0008 | 90 | null | 100.151 | 0.01 | 90 | null | 821.6 | 0.2 | 296 | null | 296 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C8 H9 B N2 O - | - C8 H9 B N2 O - | - C32 H36 B4 N8 O4 - | 4 | 1 | FG1385 | Robinson, Paul D.; Groziak, Michael P.; Chen, Liya | A 2-Alkyl Substituted 2,3,1-Benzodiazaborine | Acta Crystallographica Section C | 1,998 | 54 | 1 | 71 | 73 | 10.1107/S0108270197012432 | 0.71069 | MoKα | 0.0911 | 0.0343 | null | 0.1031 | null | 0.0819 | null | null | 1.006 | 1.086 | 1.086 | null | null | null | has coordinates | Robinson, Paul D.; Groziak, Michael P.; Chen, Liya
A 2-Alkyl Substituted 2,3,1-Benzodiazaborine
Acta Crystallographica Section C
54(1)
(1998)
71-73 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006923.cif $
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2,230,114 | 5.979 | 0.0012 | 18.396 | 0.004 | 16.801 | 0.003 | 90 | null | 98.83 | 0.03 | 90 | null | 1,826 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 c 1 | C -2yc | 9 | Bis[2-bromo-4-(2-hydroxyethyl)phenol] monohydrate | - C16 H20 Br2 O5 - | - C16 H20 Br2 O5 - | - C64 H80 Br8 O20 - | 4 | 1 | PV2391 | Zhu, Jing; Yang, Wen-ge; Wang, Lu-lu; Wang, Kai; Hu, Yong-hong | Bis[2-bromo-4-(2-hydroxyethyl)phenol] monohydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1109 | 10.1107/S160053681101066X | 0.71073 | MoKα | 0.077 | 0.0446 | null | null | 0.0881 | 0.0954 | null | null | null | null | null | 1.005 | null | null | has coordinates,has Fobs | Zhu, Jing; Yang, Wen-ge; Wang, Lu-lu; Wang, Kai; Hu, Yong-hong
Bis[2-bromo-4-(2-hydroxyethyl)phenol] monohydrate
Acta Crystallographica Section E
67(5)
(2011)
o1109 | 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/2/23/01/2230114.cif $
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2,006,924 | 6.2591 | 0.0013 | 14.616 | 0.003 | 14.054 | 0.003 | 90 | null | 96.71 | 0.03 | 90 | null | 1,276.9 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Dicholoro-bis(1,3-imidazolidine-2-thione)cadmium(II) | - C6 H12 Cd Cl2 N4 S2 - | - C6 H12 Cd Cl2 N4 S2 - | - C24 H48 Cd4 Cl8 N16 S8 - | 4 | 1 | FR1043 | Al-Arfaj, A. R.; Reibenspies, J. H.; Isab, A. A.; Hussain, M. Sakhawat | Dichlorobis(1,3-imidazolidine-2-thione-<i>S</i>)cadmium(II) | Acta Crystallographica Section C | 1,998 | 54 | 1 | 51 | 53 | 10.1107/S0108270197012092 | 0.71073 | MoKα | 0.0568 | 0.0417 | null | 0.1073 | 0.097 | null | null | null | 1.051 | 1.083 | 1.083 | null | null | null | has coordinates | Al-Arfaj, A. R.; Reibenspies, J. H.; Isab, A. A.; Hussain, M. Sakhawat
Dichlorobis(1,3-imidazolidine-2-thione-<i>S</i>)cadmium(II)
Acta Crystallographica Section C
54(1)
(1998)
51-53 | 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/2/00/69/2006924.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,925 | 9.538 | 0.002 | 9.603 | 0.002 | 9.769 | 0.002 | 82.46 | 0.03 | 64 | 0.03 | 61.59 | 0.03 | 704 | 0.4 | 293 | 2 | 296 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | N,N'-Bis(1-methylimidazole-2yl-methyl)-1,3-diaminopropan-2-ol | - C13 H18 N6 O - | - C13 H18 N6 O - | - C26 H36 N12 O2 - | 2 | 1 | FR1056 | Vencato, Ivo; Neves, Ademir; Scarpellini, Marciela; Correia, Valdir R. | <i>N</i>,<i>N</i>'-Bis(1-methylimidazol-2-ylmethylidene)-1,3-diaminopropan-2-ol, HBIMPNOL | Acta Crystallographica Section C | 1,998 | 54 | 1 | 97 | 99 | 10.1107/S0108270197010202 | 0.71073 | MoKα | 0.0573 | 0.0409 | null | 0.1909 | 0.1059 | null | null | null | 1.093 | 1.022 | 1.022 | null | null | null | has coordinates | Vencato, Ivo; Neves, Ademir; Scarpellini, Marciela; Correia, Valdir R.
<i>N</i>,<i>N</i>'-Bis(1-methylimidazol-2-ylmethylidene)-1,3-diaminopropan-2-ol, HBIMPNOL
Acta Crystallographica Section C
54(1)
(1998)
97-99 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006925.cif $
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2,006,926 | 7.126 | 0.001 | 8.795 | 0.001 | 15.082 | 0.001 | 73.41 | 0.01 | 85.82 | 0.01 | 76.78 | 0.01 | 881.85 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C12 H22 Cl2 Hg N2 S2 - | - C12 H22 Cl2 Hg N2 S2 - | - C24 H44 Cl4 Hg2 N4 S4 - | 2 | 1 | FR1061 | Nuñez Gaytán, María Elena; Bernès, Sylvain; Rodríguez de San Miguel Guerrero, Eduardo; Bernal U., Juan Pablo; De Gyves, Josefina | First Hg^II^‒ω-Thiocaprolactam Complex | Acta Crystallographica Section C | 1,998 | 54 | 1 | 49 | 51 | 10.1107/S0108270197012444 | 0.71073 | MoKα | 0.056 | 0.038 | null | 0.087 | 0.08 | null | null | null | 1.03 | 1.053 | 1.053 | null | null | null | has coordinates | Nuñez Gaytán, María Elena; Bernès, Sylvain; Rodríguez de San Miguel Guerrero, Eduardo; Bernal U., Juan Pablo; De Gyves, Josefina
First Hg^II^‒ω-Thiocaprolactam Complex
Acta Crystallographica Section C
54(1)
(1998)
49-51 | 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/2/00/69/2006926.cif $
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2,006,927 | 9.279 | 0.001 | 17.633 | 0.002 | 15.505 | 0.001 | 90 | null | 106.35 | 0.01 | 90 | null | 2,434.3 | 0.4 | 294 | null | 294 | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C22 H31 Co N6 O4 - | - C22 H29 Co N6 O4 - | - C88 H116 Co4 N24 O16 - | 4 | 2 | FR1066 | Gage, Jennifer L.; Weakley, Timothy J.R.; Branchaud, Bruce P. | Bis[2,3-butanedione dioximato(1‒)-<i>N</i>,<i>N</i>'](pyridine){[(<i>R</i>)-5,6,7,8-tetrahydro-8-indolizinyl]methyl}cobalt(III) | Acta Crystallographica Section C | 1,998 | 54 | 1 | 22 | 24 | 10.1107/S0108270197012663 | 0.71073 | MolybdenumKα | 0.06 | 0.039 | null | null | null | 0.082 | null | null | null | null | null | 1.33 | null | null | has coordinates | Gage, Jennifer L.; Weakley, Timothy J.R.; Branchaud, Bruce P.
Bis[2,3-butanedione dioximato(1‒)-<i>N</i>,<i>N</i>'](pyridine){[(<i>R</i>)-5,6,7,8-tetrahydro-8-indolizinyl]methyl}cobalt(III)
Acta Crystallographica Section C
54(1)
(1998)
22-24 | 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/2/00/69/2006927.cif $
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2,006,928 | 12.602 | 0.002 | 13.0428 | 0.001 | 19.074 | 0.003 | 90 | null | 94.289 | 0.007 | 90 | null | 3,126.3 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Bis(η^5^-Pentamethylcyclopentadienyl)chromium(III) (η^5^- Pentamethylcyclopentadienyl)trichlorochromium(III) | - C30 H45 Cl3 Cr2 - | - C30 H45 Cl3 Cr2 - | - C120 H180 Cl12 Cr8 - | 4 | 1 | FR1067 | Aldridge, Simon; Shang, Maoyu; Fehlner, Thomas P. | Structure of the Chromium(III) Salt [Cp^*^~2~Cr]^+^[Cp^*^CrCl~3~]^{-^} | Acta Crystallographica Section C | 1,998 | 54 | 1 | 47 | 49 | 10.1107/S0108270197011256 | 0.71073 | MoKα | 0.0738 | 0.0528 | null | 0.1467 | 0.129 | null | null | null | 1.153 | 1.167 | 1.167 | null | null | null | has coordinates | Aldridge, Simon; Shang, Maoyu; Fehlner, Thomas P.
Structure of the Chromium(III) Salt [Cp^*^~2~Cr]^+^[Cp^*^CrCl~3~]^{-^}
Acta Crystallographica Section C
54(1)
(1998)
47-49 | 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/2/00/69/2006928.cif $
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2,006,929 | 11.1567 | 0.0005 | 25.439 | 0.002 | 11.7631 | 0.0006 | 90 | null | 90 | null | 90 | null | 3,338.5 | 0.3 | 294.2 | null | 294.2 | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | Cobalt(3,5-di-t-butylsaltmen) | Bis[N,N,N',N'-tetramethyl-1,2-diaminoethane-1,2-bis(3,5-di-t-butyl- salicylideneiminato)]cobalt(II) | - C36 H54 Co N2 O2 - | - C36 H51 Co N2 O2 - | - C144 H204 Co4 N8 O8 - | 4 | 0.5 | FR1070 | Lyon, David K.; Miller, Brian E.; Miller, Warren K.; Tyler, David R.; Weakley, Timothy J. R. | [<i>N</i>,<i>N</i>'-(1,1,2,2-Tetramethylethylene)bis(3,5-di-<i>tert</i>-butylsalicylideneiminato)]cobalt(II) | Acta Crystallographica Section C | 1,998 | 54 | 1 | 20 | 22 | 10.1107/S010827019701264X | 0.71073 | MoKα | null | 0.04 | null | null | 0.045 | null | null | null | null | 2.33 | 2.33 | null | null | null | has coordinates,has Fobs | Lyon, David K.; Miller, Brian E.; Miller, Warren K.; Tyler, David R.; Weakley, Timothy J. R.
[<i>N</i>,<i>N</i>'-(1,1,2,2-Tetramethylethylene)bis(3,5-di-<i>tert</i>-butylsalicylideneiminato)]cobalt(II)
Acta Crystallographica Section C
54(1)
(1998)
20-22 | 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/2/00/69/2006929.cif $
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2,230,113 | 8.3927 | 0.0007 | 12.1388 | 0.0014 | 8.586 | 0.0009 | 90 | null | 97.045 | 0.001 | 90 | null | 868.11 | 0.15 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/m 1 | -P 2yb | 11 | Bis(2-ethyl-5-methyl-1<i>H</i>-imidazole)-4,4'-methanediyl Co(II)chloride monohydrate | Dichlorido[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl- κ<i>N</i>^3^)methane]cobalt(II) monohydrate | - C13 H22 Cl2 Co N4 O - | - C13 H22 Cl2 Co N4 O - | - C26 H44 Cl4 Co2 N8 O2 - | 2 | 0.5 | PV2382 | Qian, Xiao-Min; Luo, Yang-Hui; Li, Jin-Feng; Mao, Shu-Lin; Gao, Ge | Dichlorido[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)methane]cobalt(II) monohydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m575 | 10.1107/S1600536811011032 | 0.71073 | MoKα | 0.0649 | 0.0404 | null | null | 0.0976 | 0.1143 | null | null | null | null | null | 1.025 | null | null | has coordinates,has disorder,has Fobs | Qian, Xiao-Min; Luo, Yang-Hui; Li, Jin-Feng; Mao, Shu-Lin; Gao, Ge
Dichlorido[bis(2-ethyl-5-methyl-1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)methane]cobalt(II) monohydrate
Acta Crystallographica Section E
67(5)
(2011)
m575 | 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/2/23/01/2230113.cif $
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2,006,930 | 13.979 | 0.002 | 12.608 | 0.007 | 8.024 | 0.002 | 90 | null | 90 | null | 90 | null | 1,414.2 | 0.9 | 294 | null | 294 | null | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | - C20 H12 O2 - | - C20 H12 O2 - | - C80 H48 O8 - | 4 | 0.5 | FR1071 | Fu, Tai Y.; Gamlin, Janet N.; Olovsson, Gunnar; Scheffer, John R.; Trotter, James; Young, Dean T. | Photochemistry of Triptycene-1,4-quinone | Acta Crystallographica Section C | 1,998 | 54 | 1 | 116 | 119 | 10.1107/S0108270197012109 | 0.7107 | MoKα | null | 0.058 | null | null | null | 0.177 | null | null | null | null | null | 1.087 | null | null | has coordinates | Fu, Tai Y.; Gamlin, Janet N.; Olovsson, Gunnar; Scheffer, John R.; Trotter, James; Young, Dean T.
Photochemistry of Triptycene-1,4-quinone
Acta Crystallographica Section C
54(1)
(1998)
116-119 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006930.cif $
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2,006,931 | 12.274 | 0.003 | 7.957 | 0.003 | 15.444 | 0.003 | 90 | null | 90 | null | 90 | null | 1,508.3 | 0.7 | 294 | null | 294 | null | null | null | null | null | 3 | P n a 21 | P 2c -2n | 33 | - C20 H12 O3 - | - C20 H12 O3 - | - C80 H48 O12 - | 4 | 1 | FR1071 | Fu, Tai Y.; Gamlin, Janet N.; Olovsson, Gunnar; Scheffer, John R.; Trotter, James; Young, Dean T. | Photochemistry of Triptycene-1,4-quinone | Acta Crystallographica Section C | 1,998 | 54 | 1 | 116 | 119 | 10.1107/S0108270197012109 | 0.7107 | MoKα | null | 0.037 | null | null | null | 0.103 | null | null | null | null | null | 1.078 | null | null | has coordinates | Fu, Tai Y.; Gamlin, Janet N.; Olovsson, Gunnar; Scheffer, John R.; Trotter, James; Young, Dean T.
Photochemistry of Triptycene-1,4-quinone
Acta Crystallographica Section C
54(1)
(1998)
116-119 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,932 | 28.019 | 0.005 | 5.432 | 0.001 | 8.055 | 0.005 | 90 | null | 95.37 | 0.06 | 90 | null | 1,220.6 | 0.8 | 295 | null | 295 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | bis(4-butoxyphenyl)terephthalate | - C28 H30 O6 - | - C28 H30 O6 - | - C56 H60 O12 - | 2 | 0.5 | HA1195 | Centore, Roberto; Tuzi, Angela | Bis(4-butoxyphenyl) Terephthalate | Acta Crystallographica Section C | 1,998 | 54 | 1 | 107 | 109 | 10.1107/S0108270197010640 | 1.54178 | CuKα | 0.065 | 0.046 | null | null | 0.068 | null | null | null | null | 1.895 | 1.895 | null | null | null | has coordinates | Centore, Roberto; Tuzi, Angela
Bis(4-butoxyphenyl) Terephthalate
Acta Crystallographica Section C
54(1)
(1998)
107-109 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006932.cif $
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2,006,933 | 8.545 | 0.001 | 9.643 | 0.001 | 10.807 | 0.001 | 88.8 | 0.01 | 67.61 | 0.01 | 82.98 | 0.01 | 816.87 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | N-Benzyl-3- Benzylidene Isoindolin-1- one | N-Benzyl-3- Benzylidene Isoindolin-1- one | - C22 H17 N O - | - C22 H17 N O - | - C44 H34 N2 O2 - | 2 | 1 | HA1197 | M. Wahab Khan; Subhadra Guha; Alok K. Mukherjee; Nitya G. Kundu | <i>N</i>-Benzyl-3-benzylideneisoindolin-1-one | Acta Crystallographica Section C | 1,998 | 54 | 1 | 119 | 120 | 10.1107/S0108270197011979 | 1.5418 | CuKα | 0.0463 | 0.0438 | null | 0.1206 | 0.1184 | null | null | null | 1.112 | 1.137 | 1.137 | null | null | null | has coordinates | M. Wahab Khan; Subhadra Guha; Alok K. Mukherjee; Nitya G. Kundu
<i>N</i>-Benzyl-3-benzylideneisoindolin-1-one
Acta Crystallographica Section C
54(1)
(1998)
119-120 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,230,112 | 30.945 | 0.007 | 8.0964 | 0.0018 | 16.032 | 0.003 | 90 | null | 94.711 | 0.005 | 90 | null | 4,003.1 | 1.5 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 4,4'-[4,4'-Sulfonylbis(<i>p</i>-phenyleneoxy)]dibutanoic acid | - C20 H22 O8 S - | - C20 H22 O8 S - | - C160 H176 O64 S8 - | 8 | 1 | PK2315 | Fu, Chun-Yan; Liu, Yong-Hui; Zhou, Zhong-Liu; Tang, Hong | 4,4'-[4,4'-Sulfonylbis(<i>p</i>-phenyleneoxy)]dibutanoic acid | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1048 | 10.1107/S1600536811011871 | 0.71073 | MoKα | 0.0771 | 0.0452 | null | null | 0.118 | 0.1385 | null | null | null | null | null | 1.001 | null | null | has coordinates,has disorder,has Fobs | Fu, Chun-Yan; Liu, Yong-Hui; Zhou, Zhong-Liu; Tang, Hong
4,4'-[4,4'-Sulfonylbis(<i>p</i>-phenyleneoxy)]dibutanoic acid
Acta Crystallographica Section E
67(5)
(2011)
o1048 | 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/2/23/01/2230112.cif $
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2,006,934 | 11.356 | 0.002 | 13.243 | 0.002 | 20.002 | 0.003 | 90 | null | 90 | null | 90 | null | 3,008.1 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | Diethyl 3,7-Hypoxanthyldiacetate | - C13 H16 N4 O5 - | - C13 H16 N4 O5 - | - C104 H128 N32 O40 - | 8 | 1 | JZ1236 | Sood, Geeta; Schwalbe, Carl H.; Fraser, William | Diethyl 3,7-Hypoxanthyldiacetate | Acta Crystallographica Section C | 1,998 | 54 | 1 | 114 | 116 | 10.1107/S0108270197011906 | 1.54178 | CuKα | 0.049 | 0.042 | null | 0.125 | 0.118 | null | null | null | 1.057 | 1.085 | 1.085 | null | null | null | has coordinates | Sood, Geeta; Schwalbe, Carl H.; Fraser, William
Diethyl 3,7-Hypoxanthyldiacetate
Acta Crystallographica Section C
54(1)
(1998)
114-116 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,935 | 9.291 | 0.005 | 11.773 | 0.005 | 13.079 | 0.009 | 108.1 | 0.05 | 92.96 | 0.05 | 96.01 | 0.04 | 1,347 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Aquadicyanonitrosomethanidobis(1,10-phenanthroline)copper(II) Dicyanonitrosomethanide | - C30 H18 Cu N10 O3 - | - C30 H18 Cu N10 O3 - | - C60 H36 Cu2 N20 O6 - | 2 | 1 | KA1234 | Mikloš, Dušan; Potočňák, Ivan; Dunaj-Jurčo, Michal; Jäger, Lothar | Aqua(dicyanonitrosomethanido-<i>O</i>)bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Dicyanonitrosomethanide | Acta Crystallographica Section C | 1,998 | 54 | 1 | 33 | 36 | 10.1107/S0108270197010251 | 0.71073 | MoKα | 0.148 | 0.04 | null | 0.099 | 0.084 | null | null | null | 0.784 | 1.07 | 1.07 | null | null | null | has coordinates | Mikloš, Dušan; Potočňák, Ivan; Dunaj-Jurčo, Michal; Jäger, Lothar
Aqua(dicyanonitrosomethanido-<i>O</i>)bis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Dicyanonitrosomethanide
Acta Crystallographica Section C
54(1)
(1998)
33-36 | 194,525 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-03-25 20:34:45 +0200 (Sat, 25 Mar 2017) $
#$Revision: 194525 $
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2,006,936 | 6.574 | 0.002 | 13.798 | 0.002 | 14.838 | 0.003 | 90 | null | 90 | null | 90 | null | 1,345.9 | 0.5 | 299 | 2 | 299 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C17 H14 N2 O - | - C17 H14 N2 O - | - C68 H56 N8 O4 - | 4 | 1 | KA1241 | Elerman, Yalçin; Kabak, Mehmet; Elmali, Ayhan; Svoboda, Ingrid | 1-[<i>N</i>-(4-Methyl-2-pyridyl)aminomethylidene]-2(1<i>H</i>)-naphthalenone | Acta Crystallographica Section C | 1,998 | 54 | 1 | 128 | 130 | 10.1107/S0108270197008858 | 0.71093 | MoKα | 0.132 | 0.049 | null | 0.18 | 0.14 | null | null | null | 1.101 | 1.228 | 1.228 | null | null | null | has coordinates | Elerman, Yalçin; Kabak, Mehmet; Elmali, Ayhan; Svoboda, Ingrid
1-[<i>N</i>-(4-Methyl-2-pyridyl)aminomethylidene]-2(1<i>H</i>)-naphthalenone
Acta Crystallographica Section C
54(1)
(1998)
128-130 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,937 | 13.5174 | 0.0014 | 13.919 | 0.0013 | 17.0708 | 0.0015 | 90 | null | 90 | null | 90 | null | 3,211.8 | 0.5 | 295 | 2 | 295 | 2 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | 3', 4'-dimethoxy-N-methyl-4-stilbazolium tetrafluoroborate | 4-[2-(3,4-dimethoxyphenyl)ethenyl]-1-methylpyridinium tetrafluoroborate | - C16 H18 B F4 N O2 - | - C16 H18 B F4 N O2 - | - C128 H144 B8 F32 N8 O16 - | 8 | 1 | KA1254 | De-Chun Zhang; Tian-Zhu Zhang; Yan-Qiu Zhang; Li-Qin Ge; Kai-Bei Yu | 4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium Tetrafluoroborate | Acta Crystallographica Section C | 1,998 | 54 | 1 | 138 | 140 | 10.1107/S0108270197012559 | 0.71073 | MoKα | 0.071 | 0.038 | null | 0.103 | 0.094 | null | null | null | 0.891 | 1.085 | 1.085 | null | null | null | has coordinates | De-Chun Zhang; Tian-Zhu Zhang; Yan-Qiu Zhang; Li-Qin Ge; Kai-Bei Yu
4-[2-(3,4-Dimethoxyphenyl)ethenyl]-1-methylpyridinium Tetrafluoroborate
Acta Crystallographica Section C
54(1)
(1998)
138-140 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,938 | 6.451 | 0.002 | 13.307 | 0.002 | 8.885 | 0.002 | 90 | null | 95.1 | 0.04 | 90 | null | 759.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | trans-[bis(N-methylpiperazine)dichloroplatinum(II)] | - C10 H24 Cl2 N4 Pt - | - C10 H24 Cl2 N4 Pt - | - C20 H48 Cl4 N8 Pt2 - | 2 | 0.5 | LN1009 | Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni | Platinum(II) Complexes of Piperazine (and Derivatives): <i>trans</i>-Dichlorobis(<i>N</i>-methylpiperazine-<i>N</i>')platinum(II) | Acta Crystallographica Section C | 1,998 | 54 | 1 | 27 | 29 | 10.1107/S0108270197012353 | 0.7107 | MoKα | 0.0441 | 0.0242 | null | 0.0706 | 0.0635 | null | null | null | 1.018 | 1.104 | 1.104 | null | null | null | has coordinates,has Fobs | Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni
Platinum(II) Complexes of Piperazine (and Derivatives): <i>trans</i>-Dichlorobis(<i>N</i>-methylpiperazine-<i>N</i>')platinum(II)
Acta Crystallographica Section C
54(1)
(1998)
27-29 | 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/2/00/69/2006938.cif $
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2,230,111 | 7.2117 | 0.0007 | 19.6502 | 0.0003 | 12.6186 | 0.0009 | 90 | null | 90.016 | 0.009 | 90 | null | 1,788.2 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Tetrakis(μ-3-methoxybenzoato- κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis[acetonitrilecopper(II)] | - C36 H34 Cu2 N2 O12 - | - C36 H34 Cu2 N2 O12 - | - C72 H68 Cu4 N4 O24 - | 2 | 0.5 | PK2314 | Kar, Sanjib; Garai, Antara; Bala, Sukhen; Purohit, Chandra Shekhar | Tetrakis(μ-3-methoxybenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis[acetonitrilecopper(II)] | Acta Crystallographica Section E | 2,011 | 67 | 5 | m557 | 10.1107/S1600536811012074 | 0.71073 | MoKα | 0.0591 | 0.0344 | null | null | 0.0883 | 0.1008 | null | null | null | null | null | 1.014 | null | null | has coordinates | Kar, Sanjib; Garai, Antara; Bala, Sukhen; Purohit, Chandra Shekhar
Tetrakis(μ-3-methoxybenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)bis[acetonitrilecopper(II)]
Acta Crystallographica Section E
67(5)
(2011)
m557 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230111.cif $
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2,006,939 | 11.845 | 0.001 | 14.149 | 0.001 | 14.766 | 0.001 | 90.206 | 0.007 | 108.131 | 0.005 | 91.112 | 0.005 | 2,351.3 | 0.3 | 193.2 | null | 193.2 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C21 H18 F10 N O3 P - | - C21 H18 F10 N O3 P - | - C84 H72 F40 N4 O12 P4 - | 4 | 2 | LN1014 | Charles F. Campana; Katherine W. Oliver; Steven J. Rettig; Robert C. Thompson; James Trotter; Shihua Xia | 2,2,6,6-Tetramethyl-4-oxopiperidinium Bis(pentafluorophenyl)phosphinate | Acta Crystallographica Section C | 1,998 | 54 | 1 | 99 | 101 | 10.1107/S0108270197011281 | 0.71073 | MoKα | null | 0.06 | null | null | null | 0.112 | null | null | null | null | null | 2.016 | null | null | has coordinates | Charles F. Campana; Katherine W. Oliver; Steven J. Rettig; Robert C. Thompson; James Trotter; Shihua Xia
2,2,6,6-Tetramethyl-4-oxopiperidinium Bis(pentafluorophenyl)phosphinate
Acta Crystallographica Section C
54(1)
(1998)
99-101 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,940 | 10.747 | 0.002 | 27.457 | 0.004 | 17.837 | 0.003 | 90 | null | 90 | null | 90 | null | 5,263.3 | 1.5 | 180 | 2 | 180 | 2 | null | null | null | null | 5 | P b c n | -P 2n 2ab | 60 | trans-chloro-bis[ethylene-bis(diethylphosphine)]hydrido-iron(II) | - C20 H49 Cl Fe P4 - | - C20 H49 Cl Fe P4 - | - C160 H392 Cl8 Fe8 P32 - | 8 | 1 | LN1021 | Wiesler, Beatrix; Tuczek, Felix; Näther, Christian; Bensch, Wolfgang | [FeHCl(C~10~H~24~P~2~)~2~] | Acta Crystallographica Section C | 1,998 | 54 | 1 | 44 | 46 | 10.1107/S0108270197012754 | 0.71073 | MoKα | 0.0823 | 0.0474 | null | 0.1568 | 0.126 | null | null | null | 1.073 | 1.075 | 1.075 | null | null | null | has coordinates | Wiesler, Beatrix; Tuczek, Felix; Näther, Christian; Bensch, Wolfgang
[FeHCl(C~10~H~24~P~2~)~2~]
Acta Crystallographica Section C
54(1)
(1998)
44-46 | 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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2,006,941 | 8.994 | 0.003 | 16.534 | 0.004 | 9.428 | 0.002 | 90 | null | 118.11 | 0.03 | 90 | null | 1,236.6 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | (Z)-3(H)-piperidinomethin-1,4-benzodioxin-2-one | - C14 H15 N O3 - | - C14 H15 N O3 - | - C56 H60 N4 O12 - | 4 | 1 | LN1023 | Bozzo, Concepción; Pujol, Maria D.; Solans, Xavier; Font-Bardia, Mercè | 3-[(<i>Z</i>)-Piperidin-1-ylmethylidene]-2,3-dihydro-1,4-benzodioxan-2-one | Acta Crystallographica Section C | 1,998 | 54 | 1 | 79 | 81 | 10.1107/S0108270197012365 | 0.71069 | MoKα | 0.104 | 0.066 | null | 0.312 | 0.197 | null | null | null | 0.985 | 1.071 | 1.071 | null | null | null | has coordinates | Bozzo, Concepción; Pujol, Maria D.; Solans, Xavier; Font-Bardia, Mercè
3-[(<i>Z</i>)-Piperidin-1-ylmethylidene]-2,3-dihydro-1,4-benzodioxan-2-one
Acta Crystallographica Section C
54(1)
(1998)
79-81 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,006,942 | 10.232 | 0.003 | 10.685 | 0.006 | 13.321 | 0.003 | 102.06 | 0.03 | 103.11 | 0.02 | 108.08 | 0.03 | 1,285.5 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Ismine | 6-[2-(Methylamino)phenyl]-1,3-benzodioxole-5-methanol | - C15 H15 N O3 - | - C15 H15 N O3 - | - C60 H60 N4 O12 - | 4 | 2 | LN1026 | Viladomat, Francesc; Codina, Carles; Bastida, Jaume; Solans, Xavier; Font-Bardia, Mercè | Ismine | Acta Crystallographica Section C | 1,998 | 54 | 1 | 81 | 82 | 10.1107/S0108270197012122 | 0.71069 | MoKα | 0.0536 | 0.0472 | null | 0.14 | 0.1376 | null | null | null | 0.986 | 1.033 | 1.033 | null | null | null | has coordinates | Viladomat, Francesc; Codina, Carles; Bastida, Jaume; Solans, Xavier; Font-Bardia, Mercè
Ismine
Acta Crystallographica Section C
54(1)
(1998)
81-82 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,006,943 | 7.983 | 0.002 | 10.908 | 0.001 | 9.264 | 0.001 | 90 | null | 114.51 | 0.01 | 90 | null | 734 | 0.2 | 293 | null | 293 | null | null | null | null | null | 2 | P 1 21/n 1 | -P 2yn | 14 | - C20 H18 - | - C20 H18 - | - C40 H36 - | 2 | 0.5 | LN1034 | Avery, Tom D.; Taylor, Dennis K.; Tiekink, Edward R.T. | 3,3''-Dimethyl-1,1':4',1''-terphenyl | Acta Crystallographica Section C | 1,998 | 54 | 1 | 148 | 149 | 10.1107/S0108270197012900 | 1.5418 | CuKα | null | 0.053 | null | null | 0.068 | null | null | null | null | 2.828 | 2.828 | null | null | null | has coordinates | Avery, Tom D.; Taylor, Dennis K.; Tiekink, Edward R.T.
3,3''-Dimethyl-1,1':4',1''-terphenyl
Acta Crystallographica Section C
54(1)
(1998)
148-149 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,944 | 6.358 | 0.005 | 10.463 | 0.005 | 12.842 | 0.005 | 90 | null | 94.57 | 0.05 | 90 | null | 851.6 | 0.9 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (2S,3S)-N-Benzyl-N-[3-(tert-butoxycarbonylamino)-2-butyl]hydroxylamine | - C16 H26 N2 O3 - | - C16 H26 N2 O3 - | - C32 H52 N4 O6 - | 2 | 1 | NA1318 | Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Lanaspa, Ana | Chiral Hydroxylamines. V. (2<i>S</i>,3<i>S</i>)-<i>N</i>-Benzyl-<i>N</i>-[3-(<i>tert</i>-butoxycarbonylamino)-2-butyl]hydroxylamine | Acta Crystallographica Section C | 1,998 | 54 | 1 | 85 | 86 | 10.1107/S0108270197013267 | 0.71069 | MoKα | 0.073 | 0.0505 | null | 0.1481 | 0.1292 | null | null | null | 1.025 | 1.056 | 1.056 | null | null | null | has coordinates | Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Lanaspa, Ana
Chiral Hydroxylamines. V. (2<i>S</i>,3<i>S</i>)-<i>N</i>-Benzyl-<i>N</i>-[3-(<i>tert</i>-butoxycarbonylamino)-2-butyl]hydroxylamine
Acta Crystallographica Section C
54(1)
(1998)
85-86 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006944.cif $
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2,006,945 | 11.019 | 0.002 | 6.844 | 0.002 | 21.424 | 0.003 | 90 | null | 93.8 | 0.01 | 90 | null | 1,612.1 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | catena-poly[bis(nicotinamide-N^1^)diaquacopper(II)-μ-sulfato-O:O'] | - C12 H16 Cu N4 O8 S - | - C12 H16 Cu N4 O8 S - | - C48 H64 Cu4 N16 O32 S4 - | 4 | 1 | NA1322 | Kozlevčar, Bojan; Leban, Ivan; Sieler, Joachim; Šegedin, Primož | <i>catena</i>-Poly[diaquabis(nicotinamide-<i>N</i>^1^)copper(II)-μ-sulfato-<i>O</i>:<i>O</i>'] | Acta Crystallographica Section C | 1,998 | 54 | 1 | 39 | 41 | 10.1107/S0108270197012547 | 0.71073 | MoKα | 0.0772 | 0.0471 | null | null | null | 0.1428 | null | null | null | null | null | 1.012 | null | null | has coordinates | Kozlevčar, Bojan; Leban, Ivan; Sieler, Joachim; Šegedin, Primož
<i>catena</i>-Poly[diaquabis(nicotinamide-<i>N</i>^1^)copper(II)-μ-sulfato-<i>O</i>:<i>O</i>']
Acta Crystallographica Section C
54(1)
(1998)
39-41 | 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/2/00/69/2006945.cif $
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2,230,110 | 4.895 | 0.0014 | 7.847 | 0.002 | 8.388 | 0.002 | 69.472 | 0.005 | 89.764 | 0.006 | 75.501 | 0.005 | 290.88 | 0.13 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Lithium Copper Iron Phosphate | Pentalithium dicopper iron tetraphosphate | - Cu2.1 Fe1.15 Li4.59 O16 P4 - | - Cu2.102 Fe1.152 Li4.586 O16 P4 - | - Cu2.102 Fe1.152 Li4.586 O16 P4 - | 1 | 0.5 | PK2312 | Upreti, Shailesh; Yakubovich, Olga V.; Chernova, Natasha A.; Whittingham, M. Stanley | A novel lithium copper iron phosphate with idealized formula Li~5~Cu~2~^2+^Fe^3+^(PO~4~)~4~: crystal structure and distribution of defects | Acta Crystallographica Section E | 2,011 | 67 | 5 | i29 | 10.1107/S1600536811011755 | 0.71073 | MoKα | 0.0324 | 0.031 | null | null | 0.0852 | 0.0862 | null | null | null | null | null | 1.198 | null | null | has coordinates,has Fobs | Upreti, Shailesh; Yakubovich, Olga V.; Chernova, Natasha A.; Whittingham, M. Stanley
A novel lithium copper iron phosphate with idealized formula Li~5~Cu~2~^2+^Fe^3+^(PO~4~)~4~: crystal structure and distribution of defects
Acta Crystallographica Section E
67(5)
(2011)
i29 | 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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2,006,946 | 9.221 | 0.004 | 9.221 | 0.004 | 14.006 | 0.006 | 90 | null | 90 | null | 120 | null | 1,031.3 | 0.8 | 293 | null | 293 | null | null | null | null | null | 3 | P 32 | P 32 | 145 | 8α-Hydroxy-11α,13-dihydrozaluzanin C | Decahydro-4,8-dihydroxy-3-methyl-6,9- bis(methylene)-azuleno[4,5-b]furan-2(3H)-one | - C15 H20 O4 - | - C15 H20 O4 - | - C45 H60 O12 - | 3 | 1 | NA1327 | Kakuda, Hiroko; Helal, Amr M.; Nakamura, Norio; Hattori, Masao | 8α-Hydroxy-11α,13-dihydrozaluzanin C | Acta Crystallographica Section C | 1,998 | 54 | 1 | 113 | 114 | 10.1107/S0108270197012924 | 0.71069 | MoKα | 0.0855 | 0.0445 | null | 0.1466 | null | 0.1211 | null | null | 0.92 | null | null | 0.926 | null | null | has coordinates | Kakuda, Hiroko; Helal, Amr M.; Nakamura, Norio; Hattori, Masao
8α-Hydroxy-11α,13-dihydrozaluzanin C
Acta Crystallographica Section C
54(1)
(1998)
113-114 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,947 | 3.733 | 0.003 | 8.009 | 0.002 | 11.508 | 0.002 | 90 | null | 92.46 | 0.03 | 90 | null | 343.7 | 0.3 | 298 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C4 H10 N2 O4 - | - C4 H10 N2 O4 - | - C8 H20 N4 O8 - | 2 | 0.5 | OA1034 | Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru | Ammonium and Isopropylammonium Salts of the Fumaric Acid Dianion | Acta Crystallographica Section C | 1,998 | 54 | 1 | 142 | 145 | 10.1107/S0108270197013796 | 0.71073 | MoKα | null | 0.04 | null | null | 0.048 | null | null | null | null | 1.06 | 1.06 | null | null | null | has coordinates | Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru
Ammonium and Isopropylammonium Salts of the Fumaric Acid Dianion
Acta Crystallographica Section C
54(1)
(1998)
142-145 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,948 | 7.236 | 0.002 | 6.275 | 0.002 | 15.46 | 0.002 | 90 | null | 99.55 | 0.01 | 90 | null | 692.2 | 0.3 | 298 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C10 H22 N2 O4 - | - C10 H22 N2 O4 - | - C20 H44 N4 O8 - | 2 | 0.5 | OA1034 | Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru | Ammonium and Isopropylammonium Salts of the Fumaric Acid Dianion | Acta Crystallographica Section C | 1,998 | 54 | 1 | 142 | 145 | 10.1107/S0108270197013796 | 0.71073 | MoKα | null | 0.055 | null | null | 0.045 | null | null | null | null | 0.97 | 0.97 | null | null | null | has coordinates | Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru
Ammonium and Isopropylammonium Salts of the Fumaric Acid Dianion
Acta Crystallographica Section C
54(1)
(1998)
142-145 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006948.cif $
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2,006,949 | 20.913 | 0.007 | 10.868 | 0.008 | 12.03 | 0.01 | 90 | null | 100.45 | 0.04 | 90 | null | 2,689 | 3 | 173.2 | null | 173.2 | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | 3-(4,6-dibromo-o-tolyl)-10-(4-tert-butylphenyl)pyrimido[4,5-b]quinoline- 2,4(3H,10H)-dione | - C29 H27 Br2 N3 O3 - | - C29 H27 Br2 N3 O3 - | - C116 H108 Br8 N12 O12 - | 4 | 2 | OA1036 | Yasushi Kawai; Jun Kunitomo; Atsuyoshi Ohno | First Determination of the Absolute Configuration of an Atropisomeric Flavin Derivative | Acta Crystallographica Section C | 1,998 | 54 | 1 | 77 | 79 | 10.1107/S0108270197013838 | 0.71069 | MoKα | 0.052 | 0.034 | null | 0.066 | 0.052 | null | null | null | 0.828 | 0.862 | 0.862 | null | null | null | has coordinates | Yasushi Kawai; Jun Kunitomo; Atsuyoshi Ohno
First Determination of the Absolute Configuration of an Atropisomeric Flavin Derivative
Acta Crystallographica Section C
54(1)
(1998)
77-79 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006949.cif $
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2,230,109 | 23.318 | 0.009 | 10.23 | 0.002 | 13.901 | 0.003 | 90 | null | 125.5 | 0.03 | 90 | null | 2,699.6 | 1.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 2-Methyl-4-(2-methylbenzamido)benzoic acid | - C16 H15 N O3 - | - C16 H15 N O3 - | - C128 H120 N8 O24 - | 8 | 1 | PK2306 | He, Fei-Fei; Shi, Ya-Bin; Xia, Song; Wang, Hai-Bo | 2-Methyl-4-(2-methylbenzamido)benzoic acid | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1050 | 10.1107/S160053681101110X | 0.71073 | MoKα | 0.0811 | 0.0467 | null | null | 0.1186 | 0.1384 | null | null | null | null | null | 1 | null | null | has coordinates,has Fobs | He, Fei-Fei; Shi, Ya-Bin; Xia, Song; Wang, Hai-Bo
2-Methyl-4-(2-methylbenzamido)benzoic acid
Acta Crystallographica Section E
67(5)
(2011)
o1050 | 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/2/23/01/2230109.cif $
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2,006,950 | 8.142 | 0.001 | 13.393 | 0.001 | 14.822 | 0.001 | 90 | null | 100.88 | 0.07 | 90 | null | 1,587.2 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | Trimethyl isocyanurate | 1,3,5-Trimethyl-1,3,5-triazine(1H,3H,5H)-2,4,6-trione | - C6 H9 N3 O3 - | - C6 H9 N3 O3 - | - C48 H72 N24 O24 - | 8 | 2 | OA1038 | Thalladi, Venkat R.; Katz, Amy K.; Carrell, H. L.; Nangia, Ashwini; Desiraju, Gautam R. | Trimethyl Isocyanurate and Triethyl Isocyanurate | Acta Crystallographica Section C | 1,998 | 54 | 1 | 86 | 89 | 10.1107/S010827019701384X | 0.71073 | MoKα | 0.074 | 0.053 | null | 0.163 | 0.152 | null | null | null | 1.088 | 1.211 | 1.211 | null | null | null | has coordinates | Thalladi, Venkat R.; Katz, Amy K.; Carrell, H. L.; Nangia, Ashwini; Desiraju, Gautam R.
Trimethyl Isocyanurate and Triethyl Isocyanurate
Acta Crystallographica Section C
54(1)
(1998)
86-89 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006950.cif $
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2,006,951 | 7.835 | 0.002 | 8.144 | 0.001 | 16.82 | 0.005 | 90 | null | 90 | null | 90 | null | 1,073.3 | 0.4 | 293 | 2 | 121 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Triethyl isocyanurate | 1,3,5-Triethyl-1,3,5-triazine(1H,3H,5H)-2,4,6-trione | - C9 H15 N3 O3 - | - C9 H15 N3 O3 - | - C36 H60 N12 O12 - | 4 | 1 | OA1038 | Thalladi, Venkat R.; Katz, Amy K.; Carrell, H. L.; Nangia, Ashwini; Desiraju, Gautam R. | Trimethyl Isocyanurate and Triethyl Isocyanurate | Acta Crystallographica Section C | 1,998 | 54 | 1 | 86 | 89 | 10.1107/S010827019701384X | 0.71073 | MoKα | 0.044 | 0.038 | null | 0.107 | 0.096 | null | null | null | 1.074 | 1.041 | 1.041 | null | null | null | has coordinates | Thalladi, Venkat R.; Katz, Amy K.; Carrell, H. L.; Nangia, Ashwini; Desiraju, Gautam R.
Trimethyl Isocyanurate and Triethyl Isocyanurate
Acta Crystallographica Section C
54(1)
(1998)
86-89 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,952 | 8.1249 | 0.0015 | 10.9 | 0.002 | 10.132 | 0.002 | 90 | null | 107.57 | 0.02 | 90 | null | 855.4 | 0.3 | 180 | 2 | 180 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | 4-Azidobenzenesulfonyl chloride | - C6 H4 Cl N3 O2 S - | - C6 H4 Cl N3 O2 S - | - C24 H16 Cl4 N12 O8 S4 - | 4 | 1 | QA0025 | Ziemer, Burkhard; Sauer, Erika | 4-Azidobenzenesulfonyl Chloride | Acta Crystallographica Section C | 1,998 | 54 | 1 | IUC9700034 | 10.1107/S0108270198099879 | 0.71071 | MoKα | 0.0362 | 0.0319 | null | 0.1352 | 0.0918 | null | null | null | 1.102 | 1.142 | 1.142 | null | null | null | has coordinates,has Fobs | Ziemer, Burkhard; Sauer, Erika
4-Azidobenzenesulfonyl Chloride
Acta Crystallographica Section C
54(1)
(1998)
IUC9700034 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006952.cif $
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2,006,953 | 7.453 | 0.001 | 13.789 | 0.001 | 20.497 | 0.002 | 90 | null | 90 | null | 90 | null | 2,106.5 | 0.4 | 291 | 2 | 291 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C24 H18 Fe2 O4 - | - C24 H18 Fe2 O4 - | - C96 H72 Fe8 O16 - | 4 | 1 | QA0027 | Kempmann, Christoph; Grosser, Rolf; Schürmann, Markus; Preut, Hans; Eilbracht, Peter | (3a<i>S</i>,4<i>S</i>)-(+)-[μ-1(<i>O</i>,4,5,α-η):2(1,2,3,3a,7a-η)-5-benzylidene-6,7-dihydro-4(5<i>H</i>)-indenone]tricarbonyl-1κ^3^<i>C</i>-[2(η^5^)-cyclopentadienyl]diiron | Acta Crystallographica Section C | 1,998 | 54 | 1 | IUC9700033 | 10.1107/S0108270198099880 | 0.71069 | MoKα | 0.044 | 0.0297 | null | 0.0734 | 0.0675 | null | null | null | 1.041 | 1.062 | 1.062 | null | null | null | has coordinates,has Fobs | Kempmann, Christoph; Grosser, Rolf; Schürmann, Markus; Preut, Hans; Eilbracht, Peter
(3a<i>S</i>,4<i>S</i>)-(+)-[μ-1(<i>O</i>,4,5,α-η):2(1,2,3,3a,7a-η)-5-benzylidene-6,7-dihydro-4(5<i>H</i>)-indenone]tricarbonyl-1κ^3^<i>C</i>-[2(η^5^)-cyclopentadienyl]diiron
Acta Crystallographica Section C
54(1)
(1998)
IUC9700033 | 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/2/00/69/2006953.cif $
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2,230,108 | 9.0037 | 0.0009 | 9.78 | 0.0009 | 12.1428 | 0.0012 | 104.575 | 0.008 | 103.345 | 0.008 | 108.227 | 0.008 | 925.52 | 0.18 | 140 | null | 140 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1-(Thiophen-2-yl)ethanone thiosemicarbazone | - C7 H9 N3 S2 - | - C7 H9 N3 S2 - | - C28 H36 N12 S8 - | 4 | 2 | PB2061 | Gaye, Papa Aly; Sy, Adama; Sarr, Aminata Diassé; Gaye, Mohamed; Besnard, Celine | 1-(Thiophen-2-yl)ethanone thiosemicarbazone | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1168 | 10.1107/S1600536811011986 | 0.71073 | MoKα | 0.0434 | 0.0343 | null | 0.0527 | 0.0502 | 0.0527 | null | null | null | null | null | 0.9988 | null | null | has coordinates,has Fobs | Gaye, Papa Aly; Sy, Adama; Sarr, Aminata Diassé; Gaye, Mohamed; Besnard, Celine
1-(Thiophen-2-yl)ethanone thiosemicarbazone
Acta Crystallographica Section E
67(5)
(2011)
o1168 | 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/2/23/01/2230108.cif $
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2,006,954 | 8.06 | 0.002 | 5.9206 | 0.0009 | 22.638 | 0.006 | 90 | null | 91.99 | 0.03 | 90 | null | 1,079.6 | 0.4 | 293 | 2 | 298 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Ortho bis(selenocyanatato)xylene | αα'-diselenocyanatorthoxylene | - C10 H8 N2 Se2 - | - C10 H8 N2 Se2 - | - C40 H32 N8 Se8 - | 4 | 1 | SK1107 | McWhinnie, Sean L.W.; Brooks, Adam B.; Abrahams, Isaac | αα'-Diselenocyanato-<i>ortho</i>-xylene | Acta Crystallographica Section C | 1,998 | 54 | 1 | 126 | 128 | 10.1107/S0108270197012262 | 0.71069 | MoKα | 0.0575 | 0.0428 | null | 0.1327 | 0.1279 | null | null | null | 0.986 | 1.066 | 1.066 | null | null | null | has coordinates | McWhinnie, Sean L.W.; Brooks, Adam B.; Abrahams, Isaac
αα'-Diselenocyanato-<i>ortho</i>-xylene
Acta Crystallographica Section C
54(1)
(1998)
126-128 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006954.cif $
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2,006,955 | 4.488 | 0.0011 | 11.4945 | 0.0013 | 16.6699 | 0.0015 | 90 | null | 92.868 | 0.003 | 90 | null | 858.9 | 0.2 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C8 H9 N O4 - | - C8 H9 N O4 - | - C32 H36 N4 O16 - | 4 | 1 | SK1113 | Ülkü, Din ̧cer; Tahir, M. Nawaz; Demir, Ayhan S.; Aksoy-Çam, Hilal | Ethyl (<i>E</i>)-2-Furyl-2-(hydroxyimino)acetate | Acta Crystallographica Section C | 1,998 | 54 | 1 | 94 | 95 | 10.1107/S0108270197009852 | 0.71069 | MoKα | null | 0.061 | null | null | 0.063 | null | null | null | null | 0.91 | 0.91 | null | null | null | has coordinates | Ülkü, Din ̧cer; Tahir, M. Nawaz; Demir, Ayhan S.; Aksoy-Çam, Hilal
Ethyl (<i>E</i>)-2-Furyl-2-(hydroxyimino)acetate
Acta Crystallographica Section C
54(1)
(1998)
94-95 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,956 | 12.504 | 0.003 | 5.575 | 0.001 | 14.45 | 0.002 | 90 | null | 102.3 | 0.01 | 90 | null | 984.2 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H20 Cu N6 O2 S2 - | - C18 H20 Cu N6 O2 S2 - | - C36 H40 Cu2 N12 O4 S4 - | 2 | 0.5 | SK1119 | Duan, Chun-ying; You, Xiao-Zeng; T.C.W. Mak | Bis(4-methoxybenzaldehyde thiosemicarbazonato-<i>S</i>,<i>N</i>^4^)copper(II) | Acta Crystallographica Section C | 1,998 | 54 | 1 | 31 | 33 | 10.1107/S0108270197012298 | 0.71073 | MoKα | 0.0593 | 0.0389 | null | 0.1321 | 0.1196 | null | null | null | 1.068 | 1.098 | 1.098 | null | null | null | has coordinates | Duan, Chun-ying; You, Xiao-Zeng; T.C.W. Mak
Bis(4-methoxybenzaldehyde thiosemicarbazonato-<i>S</i>,<i>N</i>^4^)copper(II)
Acta Crystallographica Section C
54(1)
(1998)
31-33 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,006,957 | 10.13 | 0.001 | 31.398 | 0.002 | 10.7388 | 0.0009 | 90 | null | 90.852 | 0.007 | 90 | null | 3,415.2 | 0.5 | 294 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | (Z)-3-Benzylidene-1-ethynyl-1-phenyl-1,3-dihydro- isobenzofuran | - C23 H16 O - | - C23 H16 O - | - C184 H128 O8 - | 8 | 2 | SK1131 | Thalji, Reema K.; Ramos, Bethzaida; Garcia, J. Gabriel; Fronczek, Frank R. | (<i>Z</i>)-3-Benzylidene-1-ethynyl-1-phenyl-1,3-dihydroisobenzofuran | Acta Crystallographica Section C | 1,998 | 54 | 1 | 109 | 111 | 10.1107/S0108270197012304 | 1.54184 | CuKα | null | 0.051 | null | null | 0.044 | null | null | null | null | 1.512 | 1.512 | null | null | null | has coordinates | Thalji, Reema K.; Ramos, Bethzaida; Garcia, J. Gabriel; Fronczek, Frank R.
(<i>Z</i>)-3-Benzylidene-1-ethynyl-1-phenyl-1,3-dihydroisobenzofuran
Acta Crystallographica Section C
54(1)
(1998)
109-111 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006957.cif $
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2,006,958 | 7.433 | 0.003 | 12.128 | 0.005 | 17.826 | 0.004 | 90 | null | 90 | null | 90 | null | 1,607 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 4-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione | - C19 H26 O4 - | - C19 H26 O4 - | - C76 H104 O16 - | 4 | 1 | SK1137 | Paixão, J. A.; Andrade, L. C. R.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S. | 4-Hydroxy-17a-oxa-17a-homoandrost-4-ene-3,17-dione | Acta Crystallographica Section C | 1,998 | 54 | 1 | 92 | 93 | 10.1107/S0108270197012316 | 0.71073 | MoKα | 0.064 | 0.032 | null | 0.078 | null | 0.078 | null | null | 1.043 | null | null | 1.043 | null | null | has coordinates | Paixão, J. A.; Andrade, L. C. R.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.
4-Hydroxy-17a-oxa-17a-homoandrost-4-ene-3,17-dione
Acta Crystallographica Section C
54(1)
(1998)
92-93 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,230,107 | 14.7204 | 0.0014 | 9.9772 | 0.0012 | 14.7357 | 0.0015 | 90 | null | 119.716 | 0.011 | 90 | null | 1,879.6 | 0.4 | 113 | 2 | 113 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Ethyl 4-hydroxy-6-(4-hydroxyphenyl)-4-trifluoromethyl-2-sulfanylidene- 1,3-diazinane-5-carboxylate ethanol monosolvate | - C16 H21 F3 N2 O5 S - | - C16 H21 F3 N2 O5 S - | - C64 H84 F12 N8 O20 S4 - | 4 | 1 | OM2424 | Yang, Feng-Ling; Fa, Wen-Jun | Ethyl 4-hydroxy-6-(4-hydroxyphenyl)-4-trifluoromethyl-2-sulfanylidene-1,3-diazinane-5-carboxylate ethanol monosolvate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1280 | o1281 | 10.1107/S1600536811015376 | 0.71073 | MoKα | 0.0427 | 0.0363 | null | null | 0.089 | 0.0923 | null | null | null | null | null | 1.026 | null | null | has coordinates,has disorder,has Fobs | Yang, Feng-Ling; Fa, Wen-Jun
Ethyl 4-hydroxy-6-(4-hydroxyphenyl)-4-trifluoromethyl-2-sulfanylidene-1,3-diazinane-5-carboxylate ethanol monosolvate
Acta Crystallographica Section E
67(5)
(2011)
o1280-o1281 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,006,959 | 6.4806 | 0.0012 | 13.8928 | 0.0015 | 10.9886 | 0.0009 | 90 | null | 92.738 | 0.01 | 90 | null | 988.2 | 0.2 | 294 | 1 | 294 | 1 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 1,4-bis(2,2'-dipyrromethyl)benzene | 1,4-bis(2,2'-dipyrromethyl)benzene | - C24 H22 N4 - | - C24 H22 N4 - | - C48 H44 N8 - | 2 | 0.5 | SK1144 | Bennis, Vanessa; Gallagher, John F. | N—Hπ(pyrrole) Intermolecular Interactions in 1,4-Bis(di-2-pyrrolylmethyl)benzene | Acta Crystallographica Section C | 1,998 | 54 | 1 | 130 | 132 | 10.1107/S0108270197012328 | 0.71073 | MoKα | 0.218 | 0.058 | null | 0.104 | null | 0.104 | null | null | 0.829 | null | null | 0.829 | null | null | has coordinates | Bennis, Vanessa; Gallagher, John F.
N—Hπ(pyrrole) Intermolecular Interactions in 1,4-Bis(di-2-pyrrolylmethyl)benzene
Acta Crystallographica Section C
54(1)
(1998)
130-132 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006959.cif $
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2,006,960 | 9.8982 | 0.0001 | 20.4966 | 0.0002 | 9.7322 | 0.0001 | 90 | null | 112.472 | 0.001 | 90 | null | 1,824.54 | 0.03 | 173 | null | 173 | null | null | null | null | null | 4 | C 1 c 1 | C -2yc | 9 | 3-Methoxy-2,4,6-triphenylpyridine | - C24 H19 N O - | - C24 H19 N O - | - C96 H76 N4 O4 - | 4 | 1 | SK1146 | Bolte, Michael | 3-Methoxy-2,4,6-triphenylpyridine at 173K | Acta Crystallographica Section C | 1,998 | 54 | 1 | 132 | 134 | 10.1107/S0108270197012778 | 0.71073 | MoKα | 0.0331 | 0.0321 | null | 0.0855 | 0.0841 | null | null | null | 1.048 | 1.045 | 1.045 | null | null | null | has coordinates | Bolte, Michael
3-Methoxy-2,4,6-triphenylpyridine at 173K
Acta Crystallographica Section C
54(1)
(1998)
132-134 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,961 | 9.022 | 0.003 | 11.615 | 0.004 | 14.787 | 0.006 | 90 | null | 99.44 | 0.04 | 90 | null | 1,528.6 | 1 | 295 | 1 | 295.2 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C16 H16 Br N O3 - | - C16 H16 Br N O3 - | - C64 H64 Br4 N4 O12 - | 4 | 1 | SX1023 | Rivera-Gandia, Joel; Morales, Neftali; Cox, Osvaldo; Huang, Songping D. | <i>N</i>-(<i>o</i>-Tolyl)-2-bromo-4,5-dimethoxybenzamide | Acta Crystallographica Section C | 1,998 | 54 | 1 | 69 | 71 | 10.1107/S0108270197011839 | 0.7107 | MoKα | null | 0.069 | null | null | 0.072 | null | null | null | null | 2.425 | 2.425 | null | null | null | has coordinates | Rivera-Gandia, Joel; Morales, Neftali; Cox, Osvaldo; Huang, Songping D.
<i>N</i>-(<i>o</i>-Tolyl)-2-bromo-4,5-dimethoxybenzamide
Acta Crystallographica Section C
54(1)
(1998)
69-71 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,962 | 10.557 | 0.004 | 14.518 | 0.005 | 11.094 | 0.003 | 90 | null | 104.51 | 0.02 | 90 | null | 1,646.1 | 1 | 295 | 1 | 295.2 | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C15 H9 Br2 Cl N2 O2 S - | - C15 H9 Br2 Cl N2 O2 S - | - C60 H36 Br8 Cl4 N8 O8 S4 - | 4 | 1 | SX1024 | Alarcòn, Riquelio; Cox, Osvaldo; Rivera, Luis A.; Huang, Songping D. | <i>erythro</i>-1-(Benzothiazol-2-yl)-1,2-dibromo-2-(2-chloro-5-nitrophenyl)ethane | Acta Crystallographica Section C | 1,998 | 54 | 1 | 68 | 69 | 10.1107/S0108270197011840 | 0.7107 | MoKα | null | 0.053 | null | null | 0.061 | null | null | null | null | 1.905 | 1.905 | null | null | null | has coordinates | Alarcòn, Riquelio; Cox, Osvaldo; Rivera, Luis A.; Huang, Songping D.
<i>erythro</i>-1-(Benzothiazol-2-yl)-1,2-dibromo-2-(2-chloro-5-nitrophenyl)ethane
Acta Crystallographica Section C
54(1)
(1998)
68-69 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,963 | 9.032 | 0.003 | 9.897 | 0.002 | 16.231 | 0.003 | 90 | null | 90 | null | 90 | null | 1,450.9 | 0.6 | 295 | 1 | 295.2 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C16 H20 O5 - | - C16 H20 O5 - | - C64 H80 O20 - | 4 | 1 | SX1025 | Richardson, Patricia L.; Rodríguez, Abimael D.; Boulanger, Anna; Huang, Songping D. | Methoxyamericanolide B | Acta Crystallographica Section C | 1,998 | 54 | 1 | 66 | 68 | 10.1107/S0108270197011852 | 0.7107 | MoKα | null | 0.0504 | null | null | 0.0632 | null | null | null | null | 1.783 | 1.783 | null | null | null | has coordinates | Richardson, Patricia L.; Rodríguez, Abimael D.; Boulanger, Anna; Huang, Songping D.
Methoxyamericanolide B
Acta Crystallographica Section C
54(1)
(1998)
66-68 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,964 | 8.115 | 0.001 | 8.271 | 0.001 | 10.035 | 0.002 | 76.28 | 0.01 | 79.13 | 0.01 | 61.79 | 0.01 | 574.3 | 0.16 | 173 | null | 173 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C10 H14 N2 O2 S - | - C10 H14 N2 O2 S - | - C20 H28 N4 O4 S2 - | 2 | 1 | SX1030 | Ojala, Charles R.; Ojala, William H.; Pennamon, Shanieka Y.; Gleason, William B. | Conformational Polymorphs of Acetone Tosylhydrazone | Acta Crystallographica Section C | 1,998 | 54 | 1 | 57 | 60 | 10.1107/S0108270197011669 | 1.5418 | CuKα | null | 0.04 | null | null | 0.062 | null | null | null | null | 3.166 | 3.166 | null | null | null | has coordinates | Ojala, Charles R.; Ojala, William H.; Pennamon, Shanieka Y.; Gleason, William B.
Conformational Polymorphs of Acetone Tosylhydrazone
Acta Crystallographica Section C
54(1)
(1998)
57-60 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,106 | 11.213 | 0.003 | 7.1075 | 0.0018 | 12.91 | 0.003 | 90 | null | 91.546 | 0.005 | 90 | null | 1,028.5 | 0.4 | 294 | 2 | 294 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | methyl 3,10-dioxa-2-azatricyclo[6.2.1.0^2,6^]undecane-4-carboxylate | - C10 H15 N O4 - | - C10 H15 N O4 - | - C40 H60 N4 O16 - | 4 | 1 | OM2422 | Moosa, Basem A.; Fazal, Atif; Ali, Shaikh A.; Fettouhi, Mohammed | Racemic methyl 3,10-dioxa-2-azatricyclo[6.2.1.0^2,6^]undecane-4-carboxylate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1245 | 10.1107/S160053681101484X | 0.71073 | MoKα | 0.1014 | 0.0568 | null | null | 0.1305 | 0.1547 | null | null | null | null | null | 1.034 | null | null | has coordinates,has Fobs | Moosa, Basem A.; Fazal, Atif; Ali, Shaikh A.; Fettouhi, Mohammed
Racemic methyl 3,10-dioxa-2-azatricyclo[6.2.1.0^2,6^]undecane-4-carboxylate
Acta Crystallographica Section E
67(5)
(2011)
o1245 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,006,965 | 9.7369 | 0.0008 | 8.0691 | 0.0008 | 14.776 | 0.001 | 90 | null | 96.037 | 0.007 | 90 | null | 1,154.48 | 0.17 | 173 | null | 173.2 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C10 H14 N2 O2 S - | - C10 H14 N2 O2 S - | - C40 H56 N8 O8 S4 - | 4 | 1 | SX1030 | Ojala, Charles R.; Ojala, William H.; Pennamon, Shanieka Y.; Gleason, William B. | Conformational Polymorphs of Acetone Tosylhydrazone | Acta Crystallographica Section C | 1,998 | 54 | 1 | 57 | 60 | 10.1107/S0108270197011669 | 1.5418 | CuKα | null | 0.043 | null | null | 0.062 | null | null | null | null | 2.835 | 2.835 | null | null | null | has coordinates | Ojala, Charles R.; Ojala, William H.; Pennamon, Shanieka Y.; Gleason, William B.
Conformational Polymorphs of Acetone Tosylhydrazone
Acta Crystallographica Section C
54(1)
(1998)
57-60 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,966 | 8.544 | 0.002 | 9.308 | 0.001 | 16.603 | 0.002 | 90 | null | 98.21 | 0.01 | 90 | null | 1,306.9 | 0.4 | 173 | 2 | 173.2 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C13 H18 N2 O2 S - | - C13 H18 N2 O2 S - | - C52 H72 N8 O8 S4 - | 4 | 1 | SX1031 | Charles R. Ojala; William H. Ojala; William B. Gleason | By-products from the Preparation of Acetone Tosylhydrazone: 4,5-Dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-1<i>H</i>-pyrazole and 1,2-Bis(<i>p</i>-toluenesulfono)hydrazide | Acta Crystallographica Section C | 1,998 | 54 | 1 | 60 | 63 | 10.1107/S0108270197011670 | 1.5418 | CuKα | null | 0.052 | null | null | 0.073 | null | null | null | null | 1.62 | 1.62 | null | null | null | has coordinates | Charles R. Ojala; William H. Ojala; William B. Gleason
By-products from the Preparation of Acetone Tosylhydrazone: 4,5-Dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-1<i>H</i>-pyrazole and 1,2-Bis(<i>p</i>-toluenesulfono)hydrazide
Acta Crystallographica Section C
54(1)
(1998)
60-63 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006966.cif $
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2,006,967 | 15.785 | 0.001 | 10.7397 | 0.0009 | 9.492 | 0.002 | 90 | null | 90.168 | 0.01 | 90 | null | 1,609.1 | 0.4 | 296 | null | 296.2 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H16 N2 O4 S2 - | - C14 H16 N2 O4 S2 - | - C56 H64 N8 O16 S8 - | 4 | 1 | SX1031 | Charles R. Ojala; William H. Ojala; William B. Gleason | By-products from the Preparation of Acetone Tosylhydrazone: 4,5-Dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-1<i>H</i>-pyrazole and 1,2-Bis(<i>p</i>-toluenesulfono)hydrazide | Acta Crystallographica Section C | 1,998 | 54 | 1 | 60 | 63 | 10.1107/S0108270197011670 | 1.5418 | CuKα | null | 0.082 | null | null | 0.121 | null | null | null | null | 2.06 | 2.06 | null | null | null | has coordinates | Charles R. Ojala; William H. Ojala; William B. Gleason
By-products from the Preparation of Acetone Tosylhydrazone: 4,5-Dihydro-3,5,5-trimethyl-1-[(4-methylphenyl)sulfonyl]-1<i>H</i>-pyrazole and 1,2-Bis(<i>p</i>-toluenesulfono)hydrazide
Acta Crystallographica Section C
54(1)
(1998)
60-63 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,968 | 8.268 | 0.001 | 8.483 | 0.001 | 10.802 | 0.002 | 108.85 | 0.02 | 101.33 | 0.02 | 111.43 | 0.01 | 623.4 | 0.2 | 173 | null | 173 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C12 H16 N2 O2 S - | - C12 H16 N2 O2 S - | - C24 H32 N4 O4 S2 - | 2 | 1 | SX1033 | William H. Ojala; William B. Gleason | Cyclopentanone Tosylhydrazone and Cyclohexanone Tosylhydrazone | Acta Crystallographica Section C | 1,998 | 54 | 1 | 63 | 66 | 10.1107/S0108270197011682 | 1.5418 | CuKα | null | 0.0453 | null | null | 0.0583 | null | null | null | null | 2.656 | 2.656 | null | null | null | has coordinates | William H. Ojala; William B. Gleason
Cyclopentanone Tosylhydrazone and Cyclohexanone Tosylhydrazone
Acta Crystallographica Section C
54(1)
(1998)
63-66 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,969 | 10.1893 | 0.0008 | 11.0454 | 0.0008 | 6.1106 | 0.0005 | 99.258 | 0.006 | 93.769 | 0.007 | 75.799 | 0.005 | 657.77 | 0.09 | 173 | null | 173 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C13 H18 N2 O2 S - | - C13 H18 N2 O2 S - | - C26 H36 N4 O4 S2 - | 2 | 1 | SX1033 | William H. Ojala; William B. Gleason | Cyclopentanone Tosylhydrazone and Cyclohexanone Tosylhydrazone | Acta Crystallographica Section C | 1,998 | 54 | 1 | 63 | 66 | 10.1107/S0108270197011682 | 1.5418 | CuKα | null | 0.0342 | null | null | 0.0385 | null | null | null | null | 2.194 | 2.194 | null | null | null | has coordinates | William H. Ojala; William B. Gleason
Cyclopentanone Tosylhydrazone and Cyclohexanone Tosylhydrazone
Acta Crystallographica Section C
54(1)
(1998)
63-66 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,006,970 | 10.236 | 0.002 | 10.258 | 0.002 | 18.827 | 0.004 | 90 | null | 105.1 | 0.02 | 90 | null | 1,908.6 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C24 H22 O3 - | - C24 H22 O3 - | - C96 H88 O12 - | 4 | 1 | SX1041 | Ray, Suprabhat; Sarkhel, Sanjay; Maulik, Prakas R.; Lobkovsky, Emil; Clardy, Jon | 7-Methoxy-2,2-dimethyl-3-phenyl-4-(4-hydroxyphenyl)-2<i>H</i>-1-benzopyran | Acta Crystallographica Section C | 1,998 | 54 | 1 | 134 | 136 | 10.1107/S0108270197012341 | 1.54178 | CuKα | 0.0436 | 0.0362 | null | 0.1021 | 0.0953 | null | null | null | 1.071 | 1.086 | 1.086 | null | null | null | has coordinates | Ray, Suprabhat; Sarkhel, Sanjay; Maulik, Prakas R.; Lobkovsky, Emil; Clardy, Jon
7-Methoxy-2,2-dimethyl-3-phenyl-4-(4-hydroxyphenyl)-2<i>H</i>-1-benzopyran
Acta Crystallographica Section C
54(1)
(1998)
134-136 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,230,105 | 9.6064 | 0.0003 | 9.7506 | 0.0003 | 24.0234 | 0.0008 | 92.559 | 0.002 | 98.681 | 0.002 | 95.516 | 0.002 | 2,210.14 | 0.12 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis(μ-hexadecanoato-κ^2^<i>O</i>:<i>O</i>)bis[(2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')(hexadecanoato-κ<i>O</i>)copper(II)] methanol disolvate | - C86 H148 Cu2 N4 O10 - | - C86 H148 Cu2 N4 O10 - | - C86 H148 Cu2 N4 O10 - | 1 | 0.5 | OM2420 | Che Mat, Ahmad Nazeer; Abdullah, Norbani; Khaledi, Hamid; Tee, Jia Ti | Bis(μ-hexadecanoato-κ^2^<i>O</i>:<i>O</i>)bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(hexadecanoato-κ<i>O</i>)copper(II)] methanol disolvate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m599 | m600 | 10.1107/S1600536811013559 | 0.71073 | MoKα | 0.0842 | 0.0497 | null | null | 0.1103 | 0.1267 | null | null | null | null | null | 0.986 | null | null | has coordinates,has Fobs | Che Mat, Ahmad Nazeer; Abdullah, Norbani; Khaledi, Hamid; Tee, Jia Ti
Bis(μ-hexadecanoato-κ^2^<i>O</i>:<i>O</i>)bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(hexadecanoato-κ<i>O</i>)copper(II)] methanol disolvate
Acta Crystallographica Section E
67(5)
(2011)
m599-m600 | 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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2,006,971 | 4.606 | 0.001 | 4.606 | 0.001 | 9.348 | 0.002 | 90 | null | 90 | null | 120 | null | 171.75 | 0.06 | 295 | null | 295 | null | null | null | null | null | 4 | P -6 2 m | P -6 -2 | 189 | - Al2.03 B4 La O10.54 - | - Al2.028 B4 La O10.54 - | - Al2.028 B4 La O10.54 - | 1 | 0.083333 | TA1153 | Yang, P.; Yu, Wentao; Wang, J.Y.; Wei, J.Q.; Liu, Y.G. | LaAl~2.03~(B~4~O~10~)O~0.54~ | Acta Crystallographica Section C | 1,998 | 54 | 1 | 11 | 12 | 10.1107/S010827019701072X | 0.71073 | MoKα | 0.0373 | 0.0247 | null | 0.119 | 0.063 | null | null | null | 1.091 | 1.091 | 1.091 | null | null | null | has coordinates | Yang, P.; Yu, Wentao; Wang, J.Y.; Wei, J.Q.; Liu, Y.G.
LaAl~2.03~(B~4~O~10~)O~0.54~
Acta Crystallographica Section C
54(1)
(1998)
11-12 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,006,972 | 7.675 | 0.001 | 25.4 | 0.007 | 7.27 | 0.002 | 90 | null | 90 | null | 90 | null | 1,417.3 | 0.6 | 295.2 | null | 295.2 | null | null | null | null | null | 6 | P n a 21 | P 2c -2n | 33 | - C9 H15 Cl N4 O4 Pt - | - C9 H15 Cl N4 O4 Pt - | - C36 H60 Cl4 N16 O16 Pt4 - | 4 | 1 | TA1154 | Restrepo, Gerson F.; Barnes, Charles L.; Cádiz, Mayra E.; Olivero, Eneida; Huang, Songping D. | <i>cis</i>-Diamminechloro(2,5-dimethylbenzoxazole-<i>N</i>^1^)platinum(II) Nitrate | Acta Crystallographica Section C | 1,998 | 54 | 1 | 15 | 16 | 10.1107/S0108270197011116 | 0.7107 | MoKα | null | 0.029 | null | null | 0.033 | null | null | null | null | 1.282 | 1.282 | null | null | null | has coordinates | Restrepo, Gerson F.; Barnes, Charles L.; Cádiz, Mayra E.; Olivero, Eneida; Huang, Songping D.
<i>cis</i>-Diamminechloro(2,5-dimethylbenzoxazole-<i>N</i>^1^)platinum(II) Nitrate
Acta Crystallographica Section C
54(1)
(1998)
15-16 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,006,973 | 10.94 | 0.001 | 10.94 | 0.001 | 10.94 | 0.001 | 90 | null | 90 | null | 90 | null | 1,309.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P m -3 m | -P 4 2 3 | 221 | - H54 Mo12 N3 O61 P - | - Mo12 N15 O53 P - | - Mo12 N15 O53 P - | 1 | 0.020833 | Xu, Yan; Xu, Ji-Qing; Yang, Guo-Yu; Yang, Guang-Di; Xing, Yan; Lin, Yong-Hua; Jia, Heng-Qing | (NH~4~)~3~[PMo~12~O~40~].21H~2~O | Acta Crystallographica Section C | 1,998 | 54 | 1 | 9 | 11 | 10.1107/S0108270197011128 | null | null | 0.0591 | null | null | 0.138 | null | null | null | null | null | null | null | null | null | has coordinates | Xu, Yan; Xu, Ji-Qing; Yang, Guo-Yu; Yang, Guang-Di; Xing, Yan; Lin, Yong-Hua; Jia, Heng-Qing
(NH~4~)~3~[PMo~12~O~40~].21H~2~O
Acta Crystallographica Section C
54(1)
(1998)
9-11 | 277,834 | 2022-09-14 | 16:39:43 | #------------------------------------------------------------------------------
#$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $
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2,006,974 | 7.885 | 0.001 | 7.885 | 0.001 | 6.727 | 0.001 | 90 | null | 90 | null | 120 | null | 362.21 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | R 3 m :H | R 3 -2" | 160 | - Ga3 O7 P - | - Ga3 O7 P - | - Ga9 O21 P3 - | 3 | 0.166667 | Sophie Boudin; Kwang-Hwa Lii | Ga~3~PO~7~ | Acta Crystallographica Section C | 1,998 | 54 | 05 | 07 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Sophie Boudin; Kwang-Hwa Lii
Ga~3~PO~7~
Acta Crystallographica Section C
54
(1998)
05-07 | 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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2,006,975 | 7.1486 | 0.0014 | 11.163 | 0.002 | 10.145 | 0.002 | 90 | null | 90 | null | 90 | null | 809.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c n | -P 2n 2ab | 60 | - Fe1.78 Ge2.11 Mg0.11 O9 Pb2 - | - Fe1.786 Ge2.107 Mg0.107 O9 Pb2 - | - Fe7.144 Ge8.428 Mg0.428 O36 Pb8 - | 4 | 0.5 | Barbier, Jacques; Lévy, David | Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral Melanotekite | Acta Crystallographica Section C | 1,998 | 54 | 02 | 05 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Barbier, Jacques; Lévy, David
Pb~2~Fe~2~Ge~2~O~9~, the Germanate Analogue of the Silicate Mineral Melanotekite
Acta Crystallographica Section C
54
(1998)
02-05 | 277,834 | 2022-09-14 | 16:39:43 | #------------------------------------------------------------------------------
#$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277834 $
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2,230,104 | 7.0184 | 0.0002 | 13.2654 | 0.0003 | 21.5542 | 0.0008 | 90 | null | 90 | null | 90 | null | 2,006.74 | 0.1 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2,6-Bis[(<i>S</i>)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine | - C25 H23 N3 O2 - | - C25 H23 N3 O2 - | - C100 H92 N12 O8 - | 4 | 1 | OM2419 | Möller, Konstanze; Junge, Kathrin; Spannenberg, Anke; Beller, Matthias | 2,6-Bis[(<i>S</i>)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1181 | 10.1107/S1600536811014061 | 0.71073 | MoKα | 0.0412 | 0.0293 | null | null | 0.0517 | 0.0534 | null | null | null | null | null | 0.855 | null | null | has coordinates,has Fobs | Möller, Konstanze; Junge, Kathrin; Spannenberg, Anke; Beller, Matthias
2,6-Bis[(<i>S</i>)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine
Acta Crystallographica Section E
67(5)
(2011)
o1181 | 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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2,006,976 | 8.815 | 0.001 | 10.905 | 0.001 | 13.21 | 0.002 | 95.46 | 0.01 | 108.26 | 0.01 | 107.74 | 0.01 | 1,122.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | (C-meso-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-N- acetato-N,N',N'',N''',O)copper(II) Bromide Monohydrate | - C18 H39 Br Cu N4 O3 - | - C18 H39 Br Cu N4 O3 - | - C36 H78 Br2 Cu2 N8 O6 - | 2 | 1 | TA1176 | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Chung, Chung-Sun; Chen, Yuan-Jang; Kwan, Keh-Shin | (<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>^1^-acetato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>)copper(II) Bromide Monohydrate | Acta Crystallographica Section C | 1,998 | 54 | 1 | 25 | 27 | 10.1107/S010827019701113X | 0.71073 | MoKα | 0.083 | 0.048 | null | 0.123 | 0.106 | null | null | null | 1.024 | 1.073 | 1.073 | null | null | null | has coordinates | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Chung, Chung-Sun; Chen, Yuan-Jang; Kwan, Keh-Shin
(<i>C</i>-<i>meso</i>-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-<i>N</i>^1^-acetato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''',<i>O</i>)copper(II) Bromide Monohydrate
Acta Crystallographica Sect... | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,977 | 10.174 | 0.003 | 11.482 | 0.003 | 15.583 | 0.003 | 87.23 | 0.02 | 87.63 | 0.02 | 66.21 | 0.02 | 1,663.3 | 0.8 | 293 | 2 | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C52 H64 Fe2 N20 Nd2 O16 - | - C52 H64 Fe2 N20 Nd2 O16 - | - C52 H64 Fe2 N20 Nd2 O16 - | 1 | 0.5 | TA1180 | Yi, Tao; Gao, Song; Chen, Xiong-Wei; Yan, Chun-Hua; Li, Biao-Guo | A Cyano-Bridged Ionic Pair Complex: [FeNd~2~(CN)~6~(C~10~H~8~N~2~)~4~(H~2~ O)~8~][Fe(CN)~6~].8H~2~O | Acta Crystallographica Section C | 1,998 | 54 | 1 | 41 | 43 | 10.1107/S0108270197012675 | 0.71073 | MoKα | 0.0331 | 0.0276 | null | null | null | 0.07 | null | null | null | null | null | 1.052 | null | null | has coordinates | Yi, Tao; Gao, Song; Chen, Xiong-Wei; Yan, Chun-Hua; Li, Biao-Guo
A Cyano-Bridged Ionic Pair Complex: [FeNd~2~(CN)~6~(C~10~H~8~N~2~)~4~(H~2~ O)~8~][Fe(CN)~6~].8H~2~O
Acta Crystallographica Section C
54(1)
(1998)
41-43 | 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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2,006,978 | 13.451 | 0.003 | 14.746 | 0.003 | 9.402 | 0.003 | 90 | null | 90 | null | 90 | null | 1,864.9 | 0.8 | 299 | null | null | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | trans-Bis(acetylacetonato)(3-methylpyridine)nitrocobalt(III) | - C16 H21 Co N2 O6 - | - C16 H21 Co N2 O6 - | - C64 H84 Co4 N8 O24 - | 4 | 0.5 | TA1185 | Miyazaki, Hiroki; Tsuchimoto, Masanobu; Ohba, Shigeru | <i>trans</i>-Bis(acetylacetonato-<i>O</i>,<i>O</i>')(3-methylpyridine-<i>N</i>)nitrocobalt(III) | Acta Crystallographica Section C | 1,998 | 54 | 1 | 46 | 47 | 10.1107/S0108270197012699 | 0.71073 | MoKα | null | 0.048 | null | null | 0.041 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Miyazaki, Hiroki; Tsuchimoto, Masanobu; Ohba, Shigeru
<i>trans</i>-Bis(acetylacetonato-<i>O</i>,<i>O</i>')(3-methylpyridine-<i>N</i>)nitrocobalt(III)
Acta Crystallographica Section C
54(1)
(1998)
46-47 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,979 | 6.251 | 0.0011 | 8.187 | 0.002 | 11.784 | 0.002 | 91.43 | 0.02 | 94.74 | 0.02 | 90.56 | 0.02 | 600.8 | 0.2 | 293 | 1 | 293 | 1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C12 H10 Br2 O3 - | - C12 H10 Br2 O3 - | - C24 H20 Br4 O6 - | 2 | 1 | TA1186 | Gable, Robert W.; Lowe, David A.; Tsanaktsidis, John | <i>endo</i>-2,4-Dibromo-3a,4,7,7a-tetrahydro-4,7-methanoindene-1,8-dione 8-Ethylene Acetal | Acta Crystallographica Section C | 1,998 | 54 | 1 | 151 | 152 | 10.1107/S010827019701278X | 0.71073 | MoKα | 0.0488 | 0.0345 | null | 0.0875 | 0.0808 | null | null | null | 1.073 | 1.115 | 1.115 | null | null | null | has coordinates | Gable, Robert W.; Lowe, David A.; Tsanaktsidis, John
<i>endo</i>-2,4-Dibromo-3a,4,7,7a-tetrahydro-4,7-methanoindene-1,8-dione 8-Ethylene Acetal
Acta Crystallographica Section C
54(1)
(1998)
151-152 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$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/2/00/69/2006979.cif $
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2,006,980 | 10.694 | 0.001 | 13.481 | 0.001 | 15.307 | 0.002 | 90 | null | 94.32 | 0.01 | 90 | null | 2,200.5 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | (±)- 7,7,9,9-tetramethyl-2,3:4,5-di(naphtho)-1,6,8-trioxa- 7,9-disila-cyclonona-2,4-diene | - C24 H24 O3 Si2 - | - C24 H24 O3 Si2 - | - C96 H96 O12 Si8 - | 4 | 1 | VJ1062 | Qiancai Liu; Mengxian Ding; Yonghua Lin; Yan Xing | (±)-7,7,9,9-Tetramethyl-2,3:4,5-dinaphtho-1,6,8-trioxa-7,9-disilacyclonona-2,4-diene | Acta Crystallographica Section C | 1,998 | 54 | 1 | 145 | 146 | 10.1107/S0108270197010317 | 0.71073 | MoKα | 0.0713 | 0.0404 | null | 0.1637 | 0.1217 | null | null | null | 0.489 | 0.479 | 0.479 | null | null | null | has coordinates | Qiancai Liu; Mengxian Ding; Yonghua Lin; Yan Xing
(±)-7,7,9,9-Tetramethyl-2,3:4,5-dinaphtho-1,6,8-trioxa-7,9-disilacyclonona-2,4-diene
Acta Crystallographica Section C
54(1)
(1998)
145-146 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,981 | 10.88 | 0.004 | 8.875 | 0.003 | 11.845 | 0.005 | 90 | null | 100.89 | 0.06 | 90 | null | 1,123.2 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (S),(E)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide | - C27 H25 N O4 - | - C27 H26 N O4 - | - C54 H52 N2 O8 - | 2 | 1 | AB1492 | Nastopoulos, Vassilios; Athanassopoulos, Constantinos; Papaioannou, Dionissios; Francis, George W.; Kavounis, Constantin; (S),(E)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide | (<i>S</i>),(<i>E</i>)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide | Acta Crystallographica Section C | 1,998 | 54 | 2 | 267 | 269 | 10.1107/S0108270197009128 | 0.71069 | MoKα | 0.084 | 0.061 | null | 0.158 | null | 0.142 | null | null | 1.079 | null | null | 1.153 | null | null | has coordinates | Nastopoulos, Vassilios; Athanassopoulos, Constantinos; Papaioannou, Dionissios; Francis, George W.; Kavounis, Constantin; (S),(E)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide
(<i>S</i>),(<i>E</i>)-5-Methoxycarbonyl-3-triphenylmethylaminohex-4-en-4-olide
Acta Crystallographica Section C
54(2)
(1998)
267-269 | 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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2,230,103 | 12.0201 | 0.0003 | 20.7463 | 0.0005 | 17.6353 | 0.0003 | 90 | null | 132.806 | 0.001 | 90 | null | 3,226.46 | 0.14 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 c 1 | P -2yc | 7 | Poly[[μ-aqua-bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-3- hydroxyadamantane-1-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis(3- hydroxyadamantane-1-carboxylato-κ<i>O</i>)dicobalt(II)] heptahydrate] | - C64 H92 Co2 N4 O20 - | - C64 H92 Co2 N4 O20 - | - C128 H184 Co4 N8 O40 - | 2 | 1 | OM2417 | Shen, Jin-Bei; Wu, Xiao-Yong; Chen, Xiao-Ju; Zhao, Guo-Liang | Poly[[μ-aqua-bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-3-hydroxyadamantane-1-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis(3-hydroxyadamantane-1-carboxylato-κ<i>O</i>)dicobalt(II)] heptahydrate] | Acta Crystallographica Section E | 2,011 | 67 | 5 | m558 | m559 | 10.1107/S1600536811012475 | 0.71073 | MoKα | 0.0426 | 0.0345 | null | null | 0.0779 | 0.0825 | null | null | null | null | null | 1.025 | null | null | has coordinates,has Fobs | Shen, Jin-Bei; Wu, Xiao-Yong; Chen, Xiao-Ju; Zhao, Guo-Liang
Poly[[μ-aqua-bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-3-hydroxyadamantane-1-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis(3-hydroxyadamantane-1-carboxylato-κ<i>O</i>)dicobalt(II)] heptahydrate]
Acta Crystallographica Section E
67(5)
(2011)
m558-m559 | 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/2/23/01/2230103.cif $
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2,006,982 | 10.301 | 0.003 | 4.8869 | 0.0012 | 11.51 | 0.002 | 90 | null | 91.102 | 0.019 | 90 | null | 579.3 | 0.2 | 122 | 2 | 122 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | Cyclothreonine | (4S,5R)-4-Amino-5-methyl-3-isoxazolidinone | - C4 H9 N2 O2.5 - | - C4 H9 N2 O2.5 - | - C16 H36 N8 O10 - | 4 | 1 | AB1493 | Anthoni, Uffe; Fatum, Tine Muxoll; Flensburg, Claus | Cyclothreonine at 122K | Acta Crystallographica Section C | 1,998 | 54 | 2 | 240 | 242 | 10.1107/S0108270197013887 | 1.54184 | CuKα | 0.0254 | 0.0253 | null | 0.0664 | 0.0663 | null | null | null | 1.084 | 1.085 | 1.085 | null | null | null | has coordinates | Anthoni, Uffe; Fatum, Tine Muxoll; Flensburg, Claus
Cyclothreonine at 122K
Acta Crystallographica Section C
54(2)
(1998)
240-242 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,983 | 6.9732 | 0.0011 | 25.252 | 0.003 | 9.678 | 0.0011 | 90 | null | 93.386 | 0.01 | 90 | null | 1,701.2 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C9 H21 B9 Mo O2 S - | - C9 H21 B9 Mo O2 S - | - C36 H84 B36 Mo4 O8 S4 - | 4 | 1 | AB1502 | Johansen, Kjeld; Rosair, Georgina M.; Weller, Andrew S.; Welch, Alan J. | 3-(η^3^-Allyl)-3,3-dicarbonyl-4-(dimethyl sulfido)-3,1,2-molybdadicarba-<i>closo</i>-dodecaborane(12) | Acta Crystallographica Section C | 1,998 | 54 | 2 | 214 | 217 | 10.1107/S0108270197011372 | 0.71073 | MoKα | 0.1213 | 0.048 | null | 0.1413 | 0.0895 | null | null | null | 1.03 | 1.008 | 1.008 | null | null | null | has coordinates,has Fobs | Johansen, Kjeld; Rosair, Georgina M.; Weller, Andrew S.; Welch, Alan J.
3-(η^3^-Allyl)-3,3-dicarbonyl-4-(dimethyl sulfido)-3,1,2-molybdadicarba-<i>closo</i>-dodecaborane(12)
Acta Crystallographica Section C
54(2)
(1998)
214-217 | 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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2,006,984 | 4.8789 | 0.001 | 15.011 | 0.003 | 9.2835 | 0.0019 | 90 | null | 99.46 | 0.03 | 90 | null | 670.7 | 0.2 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | Keto[14]aneS~4~ | 1,4,8,11-Tetrathiacyclotetradecan-6-one | - C10 H18 O S4 - | - C10 H18 O S4 - | - C20 H36 O2 S8 - | 2 | 1 | AB1526 | Blake, Alexander J.; Li, Wan-Sheung; Sutton, Liam R.; Schröder, Martin | 1,4,8,11-Tetrathiacyclotetradecan-6-one | Acta Crystallographica Section C | 1,998 | 54 | 2 | 245 | 247 | 10.1107/S0108270197017423 | 0.71073 | MoKα | 0.0218 | 0.0204 | null | null | null | 0.0519 | null | null | null | null | null | 1.111 | null | null | has coordinates | Blake, Alexander J.; Li, Wan-Sheung; Sutton, Liam R.; Schröder, Martin
1,4,8,11-Tetrathiacyclotetradecan-6-one
Acta Crystallographica Section C
54(2)
(1998)
245-247 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,985 | 9.3482 | 0.0002 | 7.0493 | 0.0003 | 18.0924 | 0.0007 | 90 | null | 90 | null | 90 | null | 1,192.26 | 0.07 | 161 | 2 | 161 | 2 | null | null | null | null | 5 | P c a 21 | P 2c -2ac | 29 | - C11 H16 Cl N O2 - | - C11 H16 Cl N O2 - | - C44 H64 Cl4 N4 O8 - | 4 | 1 | Morimoto, Bruce H.; Lovell, Scott; Kahr, Bart | Ecstasy: 3,4-Methylenedioxymethamphetamine (MDMA) | Acta Crystallographica Section C | 1,998 | 54 | 2 | 229 | 231 | 10.1107/S0108270197012390 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Morimoto, Bruce H.; Lovell, Scott; Kahr, Bart
Ecstasy: 3,4-Methylenedioxymethamphetamine (MDMA)
Acta Crystallographica Section C
54(2)
(1998)
229-231 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,006,986 | 13.705 | 0.002 | 32.939 | 0.004 | 11.6224 | 0.0013 | 90 | null | 90 | null | 90 | null | 5,246.7 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P c a b | -P 2bc 2ac | 61 | bis(dimethylamine)-trichloro-tris(tert-butyloxy)-ditungsten | - C16 H41 Cl3 N2 O3 W2 - | - C16 H41 Cl3 N2 O3 W2 - | - C128 H328 Cl24 N16 O24 W16 - | 8 | 1 | BK1344 | Malcolm H. Chisholm; Kirsten Folting; De-Dong Wu | A Dinuclear Tungsten(III) Complex Containing a Tungsten‒Tungsten Triple Bond with an Asymmetric Arrangement of Ligands: [W~2~Cl~3~(OCMe~3~)~3~(NHMe~2~)~2~] | Acta Crystallographica Section C | 1,998 | 54 | 2 | 225 | 227 | 10.1107/S010827019700872X | 0.71069 | MoKα | 0.059 | 0.039 | null | 0.094 | 0.0844 | null | null | null | 1.14 | 1.19 | 1.19 | null | null | null | has coordinates | Malcolm H. Chisholm; Kirsten Folting; De-Dong Wu
A Dinuclear Tungsten(III) Complex Containing a Tungsten‒Tungsten Triple Bond with an Asymmetric Arrangement of Ligands: [W~2~Cl~3~(OCMe~3~)~3~(NHMe~2~)~2~]
Acta Crystallographica Section C
54(2)
(1998)
225-227 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,230,102 | 8.2541 | 0.0006 | 11.8988 | 0.0008 | 13.8197 | 0.0009 | 90 | null | 90.288 | 0.002 | 90 | null | 1,357.27 | 0.16 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Piperazine-1,4-diium pyridine-2,3-dicarboxylate methanol monosolvate | - C12 H19 N3 O5 - | - C12 H19 N3 O5 - | - C48 H76 N12 O20 - | 4 | 1 | OM2416 | Manteghi, Faranak; Ghadermazi, Mohammad; Kakaei, Nasrin | Piperazine-1,4-diium pyridine-2,3-dicarboxylate methanol monosolvate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1122 | 10.1107/S1600536811012384 | 0.71073 | MoKα | 0.0387 | 0.034 | null | null | 0.0817 | 0.0849 | null | null | null | null | null | 1.025 | null | null | has coordinates,has Fobs | Manteghi, Faranak; Ghadermazi, Mohammad; Kakaei, Nasrin
Piperazine-1,4-diium pyridine-2,3-dicarboxylate methanol monosolvate
Acta Crystallographica Section E
67(5)
(2011)
o1122 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,006,987 | 21.311 | 0.004 | 3.908 | 0.0008 | 27.581 | 0.006 | 90 | null | 97.49 | 0.03 | 90 | null | 2,277.4 | 0.8 | 163 | 2 | 163 | 2 | null | null | null | null | 4 | I 1 2/a 1 | -I 2ya | 15 | - C12 H6 Cl2 S2 - | - C12 H6 Cl2 S2 - | - C96 H48 Cl16 S16 - | 8 | 1 | BK1346 | Chang, Ning-Leh; Thomas, Stewart N.; Lynch, Vincent M.; Simonsen, Stanley H. | 2,7-Dichlorothianthrene | Acta Crystallographica Section C | 1,998 | 54 | 2 | 266 | 267 | 10.1107/S0108270197012018 | 0.71073 | MoKα | 0.043 | 0.032 | null | 0.085 | 0.081 | null | null | null | 1.05 | 1.112 | 1.112 | null | null | null | has coordinates | Chang, Ning-Leh; Thomas, Stewart N.; Lynch, Vincent M.; Simonsen, Stanley H.
2,7-Dichlorothianthrene
Acta Crystallographica Section C
54(2)
(1998)
266-267 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,006,988 | 12.89 | 0.006 | 11.187 | 0.004 | 29.565 | 0.013 | 90 | null | 90 | null | 90 | null | 4,263 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-ene | - C9 H13 N3 O4 - | - C9 H13 N3 O4 - | - C144 H208 N48 O64 - | 16 | 2 | BM1120 | Shishkin, O. V.; Atroschenko, Yu. M.; Gitis, S. S.; Alifanova, E. N.; Shakhkeldyan, I. V. | 3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-ene | Acta Crystallographica Section C | 1,998 | 54 | 2 | 271 | 273 | 10.1107/S0108270197013279 | 0.71073 | MoKα | 0.2209 | 0.0802 | null | 0.3034 | 0.1457 | null | null | null | 1.094 | 1.365 | 1.365 | null | null | null | has coordinates | Shishkin, O. V.; Atroschenko, Yu. M.; Gitis, S. S.; Alifanova, E. N.; Shakhkeldyan, I. V.
3-Methyl-1,5-dinitro-3-azabicyclo[3.3.1]non-7-ene
Acta Crystallographica Section C
54(2)
(1998)
271-273 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,006,989 | 13.803 | 0.003 | 10.78 | 0.016 | 17.272 | 0.007 | 90 | null | 90 | null | 90 | null | 2,570 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C13 H8 N2 O5 S - | - C13 H8 N2 O5 S - | - C104 H64 N16 O40 S8 - | 8 | 1 | BM1162 | Brigas, Amadeu F.; Goncalves, Pedro M.; Johnstone, Robert A.W. | Electronic Effects on C—O—C Ether Bonds in 3-Aryloxy Derivatives of Benzisothiazole 1,1-Dioxides: Rapid Ethanolysis of 3-(4-Nitrophenoxy)-1,2-benzisothiazole 1,1-Dioxide, (1), to give 3-Ethoxy-1,2-benzisothiazole 1,1-Dioxide, (2) | Acta Crystallographica Section C | 1,998 | 54 | 2 | 251 | 253 | 10.1107/S010827019701353X | 0.71073 | MoKα | 0.0766 | 0.0392 | null | null | null | 0.1067 | null | null | null | null | null | 1.023 | null | null | has coordinates | Brigas, Amadeu F.; Goncalves, Pedro M.; Johnstone, Robert A.W.
Electronic Effects on C—O—C Ether Bonds in 3-Aryloxy Derivatives of Benzisothiazole 1,1-Dioxides: Rapid Ethanolysis of 3-(4-Nitrophenoxy)-1,2-benzisothiazole 1,1-Dioxide, (1), to give 3-Ethoxy-1,2-benzisothiazole 1,1-Dioxide, (2)
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2,006,990 | 7.149 | 0.004 | 8.178 | 0.005 | 16.556 | 0.003 | 90 | null | 93.15 | 0.03 | 90 | null | 966.5 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C9 H9 N O3 S - | - C9 H9 N O3 S - | - C36 H36 N4 O12 S4 - | 4 | 1 | BM1162 | Brigas, Amadeu F.; Goncalves, Pedro M.; Johnstone, Robert A.W. | Electronic Effects on C—O—C Ether Bonds in 3-Aryloxy Derivatives of Benzisothiazole 1,1-Dioxides: Rapid Ethanolysis of 3-(4-Nitrophenoxy)-1,2-benzisothiazole 1,1-Dioxide, (1), to give 3-Ethoxy-1,2-benzisothiazole 1,1-Dioxide, (2) | Acta Crystallographica Section C | 1,998 | 54 | 2 | 251 | 253 | 10.1107/S010827019701353X | 0.71073 | MoKα | 0.0894 | 0.0441 | null | null | null | 0.1079 | null | null | null | null | null | 1.025 | null | null | has coordinates | Brigas, Amadeu F.; Goncalves, Pedro M.; Johnstone, Robert A.W.
Electronic Effects on C—O—C Ether Bonds in 3-Aryloxy Derivatives of Benzisothiazole 1,1-Dioxides: Rapid Ethanolysis of 3-(4-Nitrophenoxy)-1,2-benzisothiazole 1,1-Dioxide, (1), to give 3-Ethoxy-1,2-benzisothiazole 1,1-Dioxide, (2)
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2,230,101 | 15.5241 | 0.0004 | 9.1644 | 0.0002 | 18.9108 | 0.0005 | 90 | null | 93.621 | 0.001 | 90 | null | 2,685.05 | 0.12 | 173 | 2 | 173 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | [Bis(2-pyridyl-κ<i>N</i>)amine]chlorido(η^6^-hexamethylbenzene)ruthenium(II) hexafluoridophosphate dichloromethane monosolvate | - C23 H29 Cl3 F6 N3 P Ru - | - C23 H29 Cl3 F6 N3 P Ru - | - C92 H116 Cl12 F24 N12 P4 Ru4 - | 4 | 1 | OM2411 | Gupta, Gajendra; Therrien, Bruno; Kim, Jinkwon | [Bis(2-pyridyl-κ<i>N</i>)amine]chlorido(η^6^-hexamethylbenzene)ruthenium(II) hexafluoridophosphate dichloromethane solvate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m548 | 10.1107/S1600536811011640 | 0.71073 | MoKα | 0.0414 | 0.0331 | null | null | 0.082 | 0.0869 | null | null | null | null | null | 1.063 | null | null | has coordinates,has Fobs | Gupta, Gajendra; Therrien, Bruno; Kim, Jinkwon
[Bis(2-pyridyl-κ<i>N</i>)amine]chlorido(η^6^-hexamethylbenzene)ruthenium(II) hexafluoridophosphate dichloromethane solvate
Acta Crystallographica Section E
67(5)
(2011)
m548 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
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2,006,991 | 8.8328 | 0.0002 | 9.4173 | 0.0002 | 16.1617 | 0.0003 | 96.941 | 0.001 | 98.159 | 0.001 | 101.396 | 0.001 | 1,289.06 | 0.05 | 153 | 2 | 150 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | 1-(N-triphenylphosphinegold)-amino-anthracene-9,10-dione | - C32 H23 Au N O2 P - | - C32 H23 Au N O2 P - | - C64 H46 Au2 N2 O4 P2 - | 2 | 1 | BM1166 | Churakov, Andrei V.; Kuz'mina, Lyudmila G.; Howard, Judith A. K. | (9,10-Dioxo-9,10-dihydro-1-anthrylaminato-<i>N</i>)(triphenylphosphine-<i>P</i>)gold | Acta Crystallographica Section C | 1,998 | 54 | 2 | 212 | 214 | 10.1107/S0108270197012985 | 0.71073 | MoKα | 0.031 | 0.025 | null | 0.064 | 0.055 | null | null | null | 1.12 | 1.119 | 1.119 | null | null | null | has coordinates | Churakov, Andrei V.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.
(9,10-Dioxo-9,10-dihydro-1-anthrylaminato-<i>N</i>)(triphenylphosphine-<i>P</i>)gold
Acta Crystallographica Section C
54(2)
(1998)
212-214 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,006,992 | 21.511 | 0.005 | 21.511 | 0.005 | 6.369 | 0.009 | 90 | null | 90 | null | 120 | null | 2,552 | 4 | 150 | 2 | 150 | 2 | null | null | null | null | 6 | R 3 :H | R 3 | 146 | 6-α-Chloro-3-α-Hydroximethyl-2,2-Dimethyl-Penam-1,1-Dioxide, | - C8 H12 Cl N O4 S - | - C8 H12 Cl N O4 S - | - C72 H108 Cl9 N9 O36 S9 - | 9 | 1 | BM1175 | Andres E. Goeta; Carlos E. Boschetti; Oreste Mascaretti; Graciela Punte | 6α-Chloro-3α-hydroxymethyl-2,2-dimethylpenam 1,1-Dioxide | Acta Crystallographica Section C | 1,998 | 54 | 2 | 242 | 244 | 10.1107/S0108270197013103 | 0.71073 | MoKα | 0.0291 | 0.0227 | null | 0.0601 | 0.0582 | null | null | null | 1.062 | 1.074 | 1.074 | null | null | null | has coordinates | Andres E. Goeta; Carlos E. Boschetti; Oreste Mascaretti; Graciela Punte
6α-Chloro-3α-hydroxymethyl-2,2-dimethylpenam 1,1-Dioxide
Acta Crystallographica Section C
54(2)
(1998)
242-244 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,006,993 | 9.766 | 0.002 | 16.184 | 0.003 | 13.456 | 0.002 | 90 | null | 100.82 | 0.02 | 90 | null | 2,089 | 0.7 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1,3,3,2'-Tetramethylspiro[indoline-2,3'-[3H]phenanthro[9,10-b][1,4]oxazine] | - C27 H24 N2 O - | - C27 H24 N2 O - | - C108 H96 N8 O4 - | 4 | 1 | BM1186 | Liang, Yong-Chao; Chen, Xue-An; Zhao, Ling; Zhang, Qi-Yuan; Chen, Jian-Xin; Ming, Yang-Fu; Fan, Mei-Gong | 1,3,3-Trimethylindoline-2-spiro-2'-3'-methyl-2'<i>H</i>-phenanthro[9,10-<i>b</i>][1,4]oxazine | Acta Crystallographica Section C | 1,998 | 54 | 2 | 279 | 281 | 10.1107/S0108270197014637 | 0.71073 | MoKα | null | 0.0398 | null | 0.1086 | 0.1011 | null | null | null | 0.946 | 1.098 | 1.098 | null | null | null | has coordinates | Liang, Yong-Chao; Chen, Xue-An; Zhao, Ling; Zhang, Qi-Yuan; Chen, Jian-Xin; Ming, Yang-Fu; Fan, Mei-Gong
1,3,3-Trimethylindoline-2-spiro-2'-3'-methyl-2'<i>H</i>-phenanthro[9,10-<i>b</i>][1,4]oxazine
Acta Crystallographica Section C
54(2)
(1998)
279-281 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,006,994 | 5.624 | 0.0011 | 7.765 | 0.002 | 8.569 | 0.002 | 73.85 | 0.03 | 83.62 | 0.03 | 88.93 | 0.03 | 357.19 | 0.15 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C7 H7 N O3 - | - C7 H7 N O3 - | - C14 H14 N2 O6 - | 2 | 1 | BM1194 | Despinoy, Xavier L.M.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti | The Effect of 3-Substitution on the Structures of Pyrrole-2-carbaldehydes | Acta Crystallographica Section C | 1,998 | 54 | 2 | 231 | 233 | 10.1107/S0108270197014649 | 0.71073 | MoKα | 0.0674 | 0.0464 | null | 0.1287 | 0.1124 | null | null | null | 1.054 | 1.095 | 1.095 | null | null | null | has coordinates | Despinoy, Xavier L.M.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti
The Effect of 3-Substitution on the Structures of Pyrrole-2-carbaldehydes
Acta Crystallographica Section C
54(2)
(1998)
231-233 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,230,100 | 23.437 | 0.003 | 6.3565 | 0.0008 | 18.416 | 0.002 | 90 | null | 111.781 | 0.002 | 90 | null | 2,547.7 | 0.5 | 297 | 2 | 297 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | (6<i>RS</i>,9<i>SR</i>)-6,7-Dibromo-1,2,3,4-tetrahydro-1,4-methanoanthracene | (6<i>RS</i>,9<i>SR</i>)-6,7- dibromotetracyclo[10.2.1.0^2,11^.0^4,9^]pentadeca-2,4(9),5,7,10-pentaene | - C15 H12 Br2 - | - C15 H12 Br2 - | - C120 H96 Br16 - | 8 | 1 | NR2004 | Chen, Kew-Yu; Chang, Ming-Jen; Fang, Tzu-Chien | (6<i>RS</i>,9<i>SR</i>)-6,7-Dibromo-1,2,3,4-tetrahydro-1,4-methanoanthracene | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1147 | 10.1107/S1600536811013572 | 0.71073 | MoKα | 0.0712 | 0.0551 | null | null | 0.1358 | 0.1439 | null | null | null | null | null | 0.957 | null | null | has coordinates,has Fobs | Chen, Kew-Yu; Chang, Ming-Jen; Fang, Tzu-Chien
(6<i>RS</i>,9<i>SR</i>)-6,7-Dibromo-1,2,3,4-tetrahydro-1,4-methanoanthracene
Acta Crystallographica Section E
67(5)
(2011)
o1147 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,006,995 | 6.9093 | 0.0009 | 12.38 | 0.002 | 7.3256 | 0.0011 | 90 | null | 107.781 | 0.01 | 90 | null | 596.68 | 0.16 | 220 | 0.2 | 220 | 0.2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C6 H7 N O2 - | - C6 H7 N O2 - | - C24 H28 N4 O8 - | 4 | 1 | BM1194 | Despinoy, Xavier L.M.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti | The Effect of 3-Substitution on the Structures of Pyrrole-2-carbaldehydes | Acta Crystallographica Section C | 1,998 | 54 | 2 | 231 | 233 | 10.1107/S0108270197014649 | 1.54184 | CuKα | 0.0583 | 0.0422 | null | 0.1027 | 0.095 | null | null | null | 1.097 | 1.175 | 1.175 | null | null | null | has coordinates | Despinoy, Xavier L.M.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti
The Effect of 3-Substitution on the Structures of Pyrrole-2-carbaldehydes
Acta Crystallographica Section C
54(2)
(1998)
231-233 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,006,996 | 6.355 | 0.0009 | 6.355 | 0.0009 | 4.449 | 0.0009 | 90 | null | 90 | null | 90 | null | 179.68 | 0.05 | 293 | 2 | 293 | null | null | null | null | null | 4 | P 4/n m m :2 | -P 4a 2a | 129 | - Li2 O5 Si V - | - Li2 O5 Si V - | - Li4 O10 Si2 V2 - | 2 | 0.125 | BR1196 | Rangan, Krishnaswamy Kasthuri; Piffard, Yves; Joubert, Olivier; Tournoux, Michel | Li~2~VOSiO~4~: a Natisite-Type Structure | Acta Crystallographica Section C | 1,998 | 54 | 2 | 176 | 177 | 10.1107/S0108270197014650 | 0.71073 | MoKα | 0.0974 | 0.0453 | null | 0.088 | 0.0771 | null | null | null | 1.016 | 1.119 | 1.119 | null | null | null | has coordinates,has Fobs | Rangan, Krishnaswamy Kasthuri; Piffard, Yves; Joubert, Olivier; Tournoux, Michel
Li~2~VOSiO~4~: a Natisite-Type Structure
Acta Crystallographica Section C
54(2)
(1998)
176-177 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,006,997 | 15.476 | 0.003 | 6.649 | 0.001 | 24.08 | 0.005 | 90 | null | 93.42 | 0.02 | 90 | null | 2,473.4 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | I 1 2/c 1 | -I 2yc | 15 | poly[N-(2-aminoethyl)-N-methyl-1,2-ethanediamine-κ^3^N]-μ-isothiocyanato- N:S-isothiocyanatonickel(II) | - C7 H15 N5 Ni S2 - | - C7 H15 N5 Ni S2 - | - C56 H120 N40 Ni8 S16 - | 8 | 1 | CF1171 | Nirmalya P. Nayak; Alok K. Mukherjee; Arunendu Mondal; Nirmalendu Ray Chaudhuri | A Polymeric Nickel(II) Thiocyanate Complex of <i>N</i>-(2-Aminoethyl)-<i>N</i>-methyl-1,2-ethanediamine | Acta Crystallographica Section C | 1,998 | 54 | 2 | 208 | 210 | 10.1107/S0108270197013280 | 0.71069 | MoKα | 0.0436 | 0.0406 | null | 0.1108 | 0.108 | null | null | null | 1.081 | 1.116 | 1.116 | null | null | null | has coordinates | Nirmalya P. Nayak; Alok K. Mukherjee; Arunendu Mondal; Nirmalendu Ray Chaudhuri
A Polymeric Nickel(II) Thiocyanate Complex of <i>N</i>-(2-Aminoethyl)-<i>N</i>-methyl-1,2-ethanediamine
Acta Crystallographica Section C
54(2)
(1998)
208-210 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,230,099 | 22.812 | 0.0007 | 10.5199 | 0.0004 | 16.1346 | 0.0006 | 90 | null | 103.926 | 0.001 | 90 | null | 3,758.2 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Phenyl(3-methyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methanone | - C22 H17 N O3 S - | - C22 H17 N O3 S - | - C176 H136 N8 O24 S8 - | 8 | 1 | NK2097 | Ranjith, S.; SubbiahPandi, A.; Dhayalan, V.; MohanaKrishnan, A. K. | Phenyl(3-methyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methanone | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1242 | 10.1107/S1600536811014826 | 0.71073 | MoKα | 0.0858 | 0.0485 | null | null | 0.1214 | 0.1454 | null | null | null | null | null | 1.018 | null | null | has coordinates,has Fobs | Ranjith, S.; SubbiahPandi, A.; Dhayalan, V.; MohanaKrishnan, A. K.
Phenyl(3-methyl-1-phenylsulfonyl-1<i>H</i>-indol-2-yl)methanone
Acta Crystallographica Section E
67(5)
(2011)
o1242 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
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2,006,998 | 8.665 | 0.001 | 12.503 | 0.002 | 16.306 | 0.002 | 90 | null | 94.03 | 0.01 | 90 | null | 1,762.2 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | null | 2-(2-hydroxy-3-methoxy-5-sulfo-phenyl)-4H-1-benzopyran-4-one trihydrate | - C16 H18 O10 S - | - C16 H18 O10 S - | - C64 H72 O40 S4 - | 4 | 1 | CF1187 | Wallet, Jean-Claude; Habsaoui, Amar; Gaydou, Emile M.; Molins, Elies; Miravitlles, Carlos | 2'-Hydroxy-3'-methoxy-5'-flavonesulfonic Acid Trihydrate: a New Zwitterion | Acta Crystallographica Section C | 1,998 | 54 | 2 | 247 | 249 | 10.1107/S0108270197014169 | 0.71069 | MoKα | 0.146 | 0.041 | null | null | 0.101 | null | null | null | null | 0.944 | 0.944 | null | null | null | has coordinates | Wallet, Jean-Claude; Habsaoui, Amar; Gaydou, Emile M.; Molins, Elies; Miravitlles, Carlos
2'-Hydroxy-3'-methoxy-5'-flavonesulfonic Acid Trihydrate: a New Zwitterion
Acta Crystallographica Section C
54(2)
(1998)
247-249 | 281,832 | 2023-03-13 | 7:43:06 | #------------------------------------------------------------------------------
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2,006,999 | 9.4818 | 0.0009 | 9.7365 | 0.0004 | 10.6089 | 0.001 | 93.469 | 0.008 | 113.697 | 0.005 | 97.89 | 0.008 | 881.08 | 0.13 | 220 | 0.2 | 220 | 0.2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C18 H22 O4 S - | - C18 H22 O4 S - | - C36 H44 O8 S2 - | 2 | 1 | CF1192 | Gould, Robert O.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti | Two Methylsulfanylmethylene Derivatives of Meldrum's Acid | Acta Crystallographica Section C | 1,998 | 54 | 2 | 234 | 236 | 10.1107/S0108270197014170 | 1.5418 | CuKα | null | 0.0338 | null | null | 0.0402 | null | null | null | null | 1.1073 | 1.1073 | null | null | null | has coordinates | Gould, Robert O.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti
Two Methylsulfanylmethylene Derivatives of Meldrum's Acid
Acta Crystallographica Section C
54(2)
(1998)
234-236 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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2,007,000 | 6.137 | 0.008 | 7.17 | 0.008 | 15 | 0.03 | 79 | 0.08 | 84.36 | 0.11 | 83.08 | 0.08 | 641.3 | 1.7 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C12 H12 O4 S2 - | - C11.681 H12 O4 S2 - | - C23.362 H24 O8 S4 - | 2 | 1 | CF1192 | Gould, Robert O.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti | Two Methylsulfanylmethylene Derivatives of Meldrum's Acid | Acta Crystallographica Section C | 1,998 | 54 | 2 | 234 | 236 | 10.1107/S0108270197014170 | 0.71073 | MoKα | 0.065 | 0.061 | null | 0.187 | 0.18 | null | null | null | 1.152 | 1.147 | 1.147 | null | null | null | has coordinates,has disorder | Gould, Robert O.; Harris, Steven G.; McNab, Hamish; Parsons, Simon; Withell, Kirsti
Two Methylsulfanylmethylene Derivatives of Meldrum's Acid
Acta Crystallographica Section C
54(2)
(1998)
234-236 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,007,001 | 14.818 | 0.002 | 14.818 | 0.002 | 29.903 | 0.006 | 90 | null | 90 | null | 120 | null | 5,686.2 | 1.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | R -3 :H | -R 3 | 148 | Chloro-tris(1,3-diphenyl-1,3-propanedionato)zirconium(IV) | - C45 H33 Cl O6 Zr - | - C45 H33 Cl O6 Zr - | - C270 H198 Cl6 O36 Zr6 - | 6 | 0.333333 | CF1194 | Janiak, Christoph; Scharmann, Tobias G. | The Racemic <i>C</i>~3~-Symmetrical Propeller Structure of Chlorotris(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')zirconium(IV) | Acta Crystallographica Section C | 1,998 | 54 | 2 | 210 | 212 | 10.1107/S0108270197014182 | 0.71069 | MoKα | 0.025 | 0.024 | null | 0.066 | 0.065 | null | null | null | 1.085 | 1.087 | 1.087 | null | null | null | has coordinates | Janiak, Christoph; Scharmann, Tobias G.
The Racemic <i>C</i>~3~-Symmetrical Propeller Structure of Chlorotris(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')zirconium(IV)
Acta Crystallographica Section C
54(2)
(1998)
210-212 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,007,002 | 13.459 | 0.004 | 9.2087 | 0.0015 | 15.883 | 0.005 | 90 | null | 98.87 | 0.04 | 90 | null | 1,945 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | (pyrazolo[3,4-d]pyrimidin-1-yl)alkane | 1,3-bis(5-methyl-6-methylthio-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane | - C17 H20 N8 O2 S2 - | - C17 H20 N8 O2 S2 - | - C68 H80 N32 O8 S8 - | 4 | 1 | CF1197 | Maulik, Prakas R.; Avasthi, Kamlakar; Biswas, Goutam; Biswas, Sampa; Rawat, Diwan S.; Sarkhel, Sanjay; Chandra, Tilak; Bhakuni, D. S. | A Stacked Pyrazolo[3,4-<i>d</i>]pyrimidine-Based Flexible Molecule | Acta Crystallographica Section C | 1,998 | 54 | 2 | 275 | 277 | 10.1107/S0108270197013309 | 0.71073 | MoKα | 0.0851 | 0.0404 | null | 0.1213 | 0.0993 | null | null | null | 0.956 | 1.117 | 1.117 | null | null | null | has coordinates | Maulik, Prakas R.; Avasthi, Kamlakar; Biswas, Goutam; Biswas, Sampa; Rawat, Diwan S.; Sarkhel, Sanjay; Chandra, Tilak; Bhakuni, D. S.
A Stacked Pyrazolo[3,4-<i>d</i>]pyrimidine-Based Flexible Molecule
Acta Crystallographica Section C
54(2)
(1998)
275-277 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
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