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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,003,205 | 8.161 | 0.001 | 8.222 | 0.001 | 23.113 | 0.002 | 93.46 | 0.02 | 96.88 | 0.02 | 113.43 | 0.02 | 1,402.8 | 0.3 | 293 | 2 | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C17 H13 N O4 - | - C17 H13 N O4 - | - C68 H52 N4 O16 - | 4 | 2 | KA1091 | B. Satish Goud; Kaliyamoorthy Panneerselvam; David E. Zacharias; Gautam R. Desiraju | 4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2H)-benzofuranone | Acta Crystallographica C | 1,995 | 51 | 2 | 265 | 267 | 10.1107/S0108270194007973 | 0.7107 | MoKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | B. Satish Goud; Kaliyamoorthy Panneerselvam; David E. Zacharias; Gautam R. Desiraju
4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2H)-benzofuranone
Acta Crystallographica C
51(2)
(1995)
265-267 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,206 | 13.579 | 0.003 | 11.107 | 0.002 | 8.299 | 0.001 | 90 | null | 105.9 | 0.01 | 90 | null | 1,203.8 | 0.8 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C13 H8 F4 N2 O - | - C13 H8 F4 N2 O - | - C52 H32 F16 N8 O4 - | 4 | 1 | LI1120 | R. E. Banks; W. J. Jondi; R. G. Pritchard; A. E. Tipping | (E)-Acetophenone O-(3,4,5,6-Tetrafluoro-2-pyridyl)oxime, Formed by 2-Substitution of Pentafluoropyridine by (E)-Acetophenone Oximate | Acta Crystallographica C | 1,995 | 51 | 2 | 293 | 295 | 10.1107/S0108270194009133 | 0.71069 | MoKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | R. E. Banks; W. J. Jondi; R. G. Pritchard; A. E. Tipping
(E)-Acetophenone O-(3,4,5,6-Tetrafluoro-2-pyridyl)oxime, Formed by 2-Substitution of Pentafluoropyridine by (E)-Acetophenone Oximate
Acta Crystallographica C
51(2)
(1995)
293-295 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,207 | 5.603 | 0.002 | 23.641 | 0.004 | 12.643 | 0.002 | 73.42 | 0.01 | 76.34 | 0.03 | 84.92 | 0.02 | 1,559 | 1 | 286 | null | 296 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | 4-(Diphenylmethylimino-oxy)tetrafluoropyridine | - C18 H10 F4 N2 O - | - C18 H10 F4 N2 O - | - C72 H40 F16 N8 O4 - | 4 | 2 | LI1121 | Banks, R. E.; Jondi, W. J.; Pritchard, R. G.; Tipping, A. E. | Benzophenone O-4-(2,3,5,6-Tetrafluoro)pyridyloxime, Formed by 4-Substitution of Pentafluoropyridine by Benzophenone Oximate | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 291 | 293 | 10.1107/s0108270194009121 | 0.71069 | MoKα | null | 0.037 | null | null | 0.025 | null | null | null | null | 2.32 | 2.32 | null | 2,010,477 | null | has coordinates | Banks, R. E.; Jondi, W. J.; Pritchard, R. G.; Tipping, A. E.
Benzophenone O-4-(2,3,5,6-Tetrafluoro)pyridyloxime, Formed by 4-Substitution of Pentafluoropyridine by Benzophenone Oximate
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
291-293 | 181,319 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 181319 $
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2,003,208 | 9.958 | 0.003 | 9.961 | 0.004 | 12.978 | 0.006 | 90 | 0.03 | 90 | 0.03 | 90 | 0.03 | 1,287.3 | 0.9 | 294 | 2 | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C15 H24 O - | - C15 H24 O - | - C60 H96 O4 - | 4 | 1 | Mukherjee, Monika; Mukherjee, Alok K.; Das, Sarbani; Mukherjee, Debabrata; Helliwell, Madeleine | (±)-7,7,9β-Trimethyl-6(αH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 280 | 282 | 10.1107/S0108270194008632 | 1.5418 | CuKα | null | 0.0502 | null | 0.1312 | 0.1217 | null | null | null | 0.874 | 0.841 | 0.841 | null | null | null | has coordinates | Mukherjee, Monika; Mukherjee, Alok K.; Das, Sarbani; Mukherjee, Debabrata; Helliwell, Madeleine
(±)-7,7,9β-Trimethyl-6(αH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
280-282 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,209 | 8.582 | 0.002 | 8.996 | 0.002 | 15.357 | 0.003 | 94.9 | 0.01 | 93.27 | 0.01 | 117.59 | 0.01 | 1,040 | 1 | 293 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C24 H27 N3 O3 - | - C24 H27 N3 O3 - | - C48 H54 N6 O6 - | 2 | 1 | Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene | Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 246 | 249 | 10.1107/S0108270194005846 | 0.71069 | MoKα | null | 0.038 | null | null | 0.05 | null | null | null | null | 2.23 | 2.23 | null | null | null | has coordinates | Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene
Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
246-249 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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4,322,409 | 13.0388 | 0.0004 | 9.2048 | 0.0003 | 16.2384 | 0.0005 | 90 | null | 97.289 | 0.005 | 90 | null | 1,933.18 | 0.11 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C16 H15 O2 Pt S6 - | - C16 H15 O2 Pt S6 - | - C64 H60 O8 Pt4 S24 - | 4 | 1 | Christopher E. Keefer; Suzanne T. Purrington; Robert D. Bereman; Paul D. Boyle | The First Systematic Synthesis of Heterobimetallic Dithiolene-Bridged Complexes. Synthesis and Characterization of Metal Complexes of 4-(1',2'-Ethylenedithiolate)-1,3-dithiole-2-one and Dimeric Metal Complexes of 1,2,3,4-Butadienetetrathiolate | Inorganic Chemistry | 1,999 | 38 | 5437 | 5442 | 10.1021/ic990841a | 0.71073 | MolybdenumKα | 0.035 | 0.035 | null | 0.047 | 0.046 | null | null | null | null | 1.48 | 1.48 | null | null | null | has coordinates | Christopher E. Keefer; Suzanne T. Purrington; Robert D. Bereman; Paul D. Boyle
The First Systematic Synthesis of Heterobimetallic Dithiolene-Bridged Complexes. Synthesis and Characterization of Metal Complexes of 4-(1',2'-Ethylenedithiolate)-1,3-dithiole-2-one and Dimeric Metal Complexes of 1,2,3,4-Butadienetetrathiola... | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:25:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179327 $
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2,003,210 | 15.518 | 0.002 | 16.427 | 0.002 | 8.46 | 0.001 | 90 | null | 90 | null | 90 | null | 2,157 | 2 | 293 | null | null | null | null | null | null | null | 4 | P c a 21 | P 2c -2ac | 29 | - C24 H27 N3 O3 - | - C24 H27 N3 O3 - | - C96 H108 N12 O12 - | 4 | 1 | Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene | Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 246 | 249 | 10.1107/S0108270194005846 | 1.5418 | CuKα | null | 0.027 | null | null | 0.036 | null | null | null | null | 1.88 | 1.88 | null | null | null | has coordinates | Adam, David; McCabe, Peter H.; Sim, George A.; Bouchemma, Ahcene
Conformational Study of 1,3,5-Tris(o-methoxyphenyl)-1,3,5-triazacyclohexane and 1,3,5-Tris(p-methoxyphenyl)-1,3,5-triazacyclohexane
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
246-249 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,211 | 8.175 | 0.001 | 10.15 | 0.002 | 11.254 | 0.001 | 83.28 | 0.01 | 81.07 | 0.01 | 74.3 | 0.01 | 885.3 | 0.2 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C12 H42 Cl14 N6 Pb - | - C12 H42 Cl14 N6 Pb - | - C12 H42 Cl14 N6 Pb - | 1 | 0.5 | MU1117 | Marcus Geselle; Hartmut Fuess | Hexakis(2-chloroethylammonium) Hexachloroplumbate(II) Chloride | Acta Crystallographica C | 1,995 | 51 | 2 | 242 | 244 | 10.1107/S0108270194009583 | 0.71069 | MoKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Marcus Geselle; Hartmut Fuess
Hexakis(2-chloroethylammonium) Hexachloroplumbate(II) Chloride
Acta Crystallographica C
51(2)
(1995)
242-244 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,212 | 11.144 | 0.003 | 15.667 | 0.004 | 13.048 | 0.005 | 90 | null | 96.32 | 0.03 | 90 | null | 2,264.2 | 1.2 | 140 | 2 | null | null | null | null | null | null | 6 | P 1 21/m 1 | -P 2yb | 11 | - C40 H24 Cl2 Ir6 O14 P2 - | - C40 Cl2 Ir6 O14 P2 - | - C80 Cl4 Ir12 O28 P4 - | 2 | 0.5 | Mazzanti, Marinella; Roulet, Raymond; Schenk, Kurt J. | Bis(diphenylphosphino)methanetetradecacarbonylhexairidium Dichloromethane Solvate | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 217 | 219 | 10.1107/S010827019400569X | 0.71073 | MoKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mazzanti, Marinella; Roulet, Raymond; Schenk, Kurt J.
Bis(diphenylphosphino)methanetetradecacarbonylhexairidium Dichloromethane Solvate
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
217-219 | 200,787 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-09-12 16:02:29 +0300 (Tue, 12 Sep 2017) $
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2,003,213 | 9.197 | 0.002 | 17.323 | 0.004 | 25.841 | 0.007 | 90 | null | 90 | null | 90 | null | 4,117 | 2 | 293 | 2 | null | null | null | null | null | null | 6 | P 21 c n | P -2n 2a | 33 | - C36 H48 Cl5 N2 P2 Re - | - C39 H37 Cl5 N2 P2 Re - | - C156 H148 Cl20 N8 P8 Re4 - | 4 | 1 | Masciocchi, Norberto; Moret, Massimo; Ardizzoia, G. Attilio; La Monica, Girolamo | [ReCl~3~(C~8~H~11~P)~2~(C~7~H~11~N)~2~].C~6~H~4~Cl~2~ | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 201 | 203 | 10.1107/s0108270194007420 | 0.71073 | MoKα | null | 0.045 | null | null | 0.112 | null | null | null | null | 1.101 | 1.101 | null | null | null | has coordinates | Masciocchi, Norberto; Moret, Massimo; Ardizzoia, G. Attilio; La Monica, Girolamo
[ReCl~3~(C~8~H~11~P)~2~(C~7~H~11~N)~2~].C~6~H~4~Cl~2~
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
201-203 | 249,493 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2020-03-18 17:39:30 +0200 (Wed, 18 Mar 2020) $
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2,003,214 | 10.3254 | 0.0003 | 11.2915 | 0.0002 | 25.0237 | 0.0005 | 85.981 | 0.003 | 80.177 | 0.003 | 78.517 | 0.003 | 2,815.2 | 0.4 | 293 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C54 H76 Be Cl4 N2 O8 - | - C54 H76 Be Cl4 N2 O8 - | - C108 H152 Be2 Cl8 N4 O16 - | 2 | 1 | Burzlaff, Hans; Lange, Joachim; Spengler, Roland; Karayannis, Miltiadis I.; Veltsistas, Panos G. | Bis(hexadecylpyridinium) Bis(3,6-dichloro-4,5- dihydroxy-3,5-cyclohexadiene-1,2-dionato-κ^2^O^4^,O^5^)]beryllium | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 190 | 193 | 10.1107/S0108270194006530 | 0.7107 | MoKα1 | null | 0.068 | null | null | 0.032 | null | null | null | null | 1.44 | 1.44 | null | null | null | has coordinates | Burzlaff, Hans; Lange, Joachim; Spengler, Roland; Karayannis, Miltiadis I.; Veltsistas, Panos G.
Bis(hexadecylpyridinium) Bis(3,6-dichloro-4,5- dihydroxy-3,5-cyclohexadiene-1,2-dionato-κ^2^O^4^,O^5^)]beryllium
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
190-193 | 200,787 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-09-12 16:02:29 +0300 (Tue, 12 Sep 2017) $
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2,003,215 | 13.087 | 0.002 | 13.087 | 0.002 | 11.793 | 0.001 | 90 | null | 90 | null | 90 | null | 2,019.8 | 0.5 | 298 | null | 298 | null | null | null | null | null | 5 | P -4 21 m | P -4 2ab | 113 | - C12 H32 Cl4 N2 Zn - | - C12 H31 Cl4 N2 Zn - | - C48 H124 Cl16 N8 Zn4 - | 4 | 0.5 | NA1105 | Caëtano, Odile; Lapasset, Jacques; Saint-Grégoire, Pierre | Tetraethylammonium Tetramethylammonium Tetrachlorozincate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N]ZnCl~4~ | Acta Crystallographica Section C | 1,995 | 51 | 2 | 220 | 222 | 10.1107/S0108270194008152 | 0.7107 | MoKα | null | 0.041 | null | null | 0.042 | null | null | null | null | 1.33 | 1.33 | null | null | null | has coordinates | Caëtano, Odile; Lapasset, Jacques; Saint-Grégoire, Pierre
Tetraethylammonium Tetramethylammonium Tetrachlorozincate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N]ZnCl~4~
Acta Crystallographica Section C
51(2)
(1995)
220-222 | 176,429 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
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4,322,408 | 8.3508 | 0.0002 | 26.4703 | 0.0007 | 15.2778 | 0.0003 | 90 | null | 99.816 | 0.001 | 90 | null | 3,327.69 | 0.14 | 158 | 2 | 158 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C26 H40 N Ni O2 S8 - | - C26 H40 N Ni O2 S8 - | - C104 H160 N4 Ni4 O8 S32 - | 4 | 1 | Christopher E. Keefer; Suzanne T. Purrington; Robert D. Bereman; Paul D. Boyle | The First Systematic Synthesis of Heterobimetallic Dithiolene-Bridged Complexes. Synthesis and Characterization of Metal Complexes of 4-(1',2'-Ethylenedithiolate)-1,3-dithiole-2-one and Dimeric Metal Complexes of 1,2,3,4-Butadienetetrathiolate | Inorganic Chemistry | 1,999 | 38 | 5437 | 5442 | 10.1021/ic990841a | 0.71073 | MoKα | 0.1201 | 0.0834 | null | 0.2167 | 0.1948 | null | null | null | 1.1 | 1.189 | 1.189 | null | null | null | has coordinates | Christopher E. Keefer; Suzanne T. Purrington; Robert D. Bereman; Paul D. Boyle
The First Systematic Synthesis of Heterobimetallic Dithiolene-Bridged Complexes. Synthesis and Characterization of Metal Complexes of 4-(1',2'-Ethylenedithiolate)-1,3-dithiole-2-one and Dimeric Metal Complexes of 1,2,3,4-Butadienetetrathiola... | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:25:49 +0200 (Wed, 23 Mar 2016) $
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2,003,216 | 6.192 | 0.004 | 6.297 | 0.003 | 8.106 | 0.001 | 96.6 | 0.008 | 104.517 | 0.008 | 102.864 | 0.007 | 293.4 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | aluminium potassium diarsenate | - Al As2 K O7 - | - Al As2 K O7 - | - Al2 As4 K2 O14 - | 2 | 1 | NA1114 | Boughzala, Habib; Jouini, Tahar | KAlAs~2~O~7~ | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 179 | 181 | 10.1107/S0108270194010395 | 0.71069 | MoKα | 0.0353 | 0.0331 | null | 0.0902 | 0.0879 | null | null | null | 0.537 | 0.555 | 0.555 | null | null | null | has coordinates | Boughzala, Habib; Jouini, Tahar
KAlAs~2~O~7~
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
179-181 | 249,494 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2020-03-18 18:34:55 +0200 (Wed, 18 Mar 2020) $
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2,003,217 | 14.9821 | 0.0009 | 5.9131 | 0.0007 | 23.502 | 0.002 | 90 | null | 105.99 | 0.01 | 90 | null | 2,001.6 | 0.3 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C18 H22 Cl2 N4 O4 - | - C18 H22 Cl2 N4 O4 - | - C72 H88 Cl8 N16 O16 - | 4 | 1 | SE1047 | Matthias Ramm; Hendrik Baumann; Klaus Kirschke | (E,E)-4-[3-(3,5-Dichloro-2-hydroxyphenylazo)-2-morpholino -2-butenoyl]morpholine | Acta Crystallographica C | 1,995 | 51 | 2 | 277 | 279 | 10.1107/S0108270194009364 | 1.54178 | CuKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Matthias Ramm; Hendrik Baumann; Klaus Kirschke
(E,E)-4-[3-(3,5-Dichloro-2-hydroxyphenylazo)-2-morpholino -2-butenoyl]morpholine
Acta Crystallographica C
51(2)
(1995)
277-279 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,218 | 17.383 | 0.003 | 9.538 | 0.001 | 20.056 | 0.003 | 90 | null | 102.6 | 0.01 | 90 | null | 3,245.2 | 0.8 | 173 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C27 H51 O10 P3 - | - C27 H51 O10 P3 - | - C108 H204 O40 P12 - | 4 | 1 | Ramm, Matthias; Costisella, Burkhard; Gross, Hans | Hexaethyl (3,5-Di-tert-butyl-4-hydroxyphenyl)methanetrisphosphonate at 173 K | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 274 | 277 | 10.1107/S0108270194009376 | 1.54178 | CuKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ramm, Matthias; Costisella, Burkhard; Gross, Hans
Hexaethyl (3,5-Di-tert-butyl-4-hydroxyphenyl)methanetrisphosphonate at 173 K
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
274-277 | 200,787 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,219 | 18.688 | 0.009 | 11.428 | 0.006 | 15.797 | 0.008 | 90 | null | 90 | null | 90 | null | 3,374 | 3 | 293 | null | 293 | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | cis-5-Methyl-4-phenyl-3-(4-toluenesulfonyl)-1,3-oxazin-2-one | - C18 H19 N O4 S - | - C18 H19 N O4 S - | - C144 H152 N8 O32 S8 - | 8 | 1 | TA1011 | Campi, Eva M.; Fallon, Gary D.; Holmes, Andrea; Perlmutter, Patrick; Teo, Chin C. | cis-5-Methyl-4-phenyl-3-(4-toluenesulfonyl)-1,3-oxazin-2-one | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 279 | 280 | 10.1107/S0108270194008838 | 1.5418 | CuKα | 0.068 | 0.048 | null | 0.106 | 0.058 | null | null | null | null | 0.772 | 0.772 | null | 2,010,500 | null | has coordinates | Campi, Eva M.; Fallon, Gary D.; Holmes, Andrea; Perlmutter, Patrick; Teo, Chin C.
cis-5-Methyl-4-phenyl-3-(4-toluenesulfonyl)-1,3-oxazin-2-one
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
279-280 | 190,654 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,220 | 4.577 | 0.001 | 32.074 | 0.006 | 7.353 | 0.001 | 90 | null | 90.74 | 0.03 | 90 | null | 1,079.4 | 0.3 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C7 H20 N O4 P - | - C7 H18 N O7 P - | - C28 H72 N4 O28 P4 - | 4 | 1 | AB0326 | Waskowska, A.; Kroupa, J. | Disorder in <i>n</i>-Alkyl Ammonium Dihydrogen Phosphate Crystals: C~<i>n~</i>H~2<i>n~ + 1</i>NH~3~^+^.H~2~PO~4~^{-^} | Acta Crystallographica Section C | 1,995 | 51 | 3 | 420 | 423 | 10.1107/S0108270194006402 | 0.71073 | MoKα | null | 0.056 | null | null | 0.06 | null | null | null | null | 1.45 | 1.45 | null | null | null | has coordinates | Waskowska, A.; Kroupa, J.
Disorder in <i>n</i>-Alkyl Ammonium Dihydrogen Phosphate Crystals: C~<i>n~</i>H~2<i>n~ + 1</i>NH~3~^+^.H~2~PO~4~^{-^}
Acta Crystallographica Section C
51(3)
(1995)
420-423 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,221 | 4.589 | 0.002 | 34.701 | 0.007 | 7.365 | 0.003 | 90 | null | 90.61 | 0.03 | 90 | null | 1,172.8 | 0.7 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C8 H22 N O4 P - | - C8 H20 N O7 P - | - C32 H80 N4 O28 P4 - | 4 | 1 | AB0326 | Waskowska, A.; Kroupa, J. | Disorder in <i>n</i>-Alkyl Ammonium Dihydrogen Phosphate Crystals: C~<i>n~</i>H~2<i>n~ + 1</i>NH~3~^+^.H~2~PO~4~^{-^} | Acta Crystallographica Section C | 1,995 | 51 | 3 | 420 | 423 | 10.1107/S0108270194006402 | 0.71073 | MoKα | null | 0.065 | null | null | 0.065 | null | null | null | null | 1.66 | 1.66 | null | null | null | has coordinates | Waskowska, A.; Kroupa, J.
Disorder in <i>n</i>-Alkyl Ammonium Dihydrogen Phosphate Crystals: C~<i>n~</i>H~2<i>n~ + 1</i>NH~3~^+^.H~2~PO~4~^{-^}
Acta Crystallographica Section C
51(3)
(1995)
420-423 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,222 | 8.2341 | 0.0005 | 9.7275 | 0.0005 | 20.8316 | 0.0012 | 90 | null | 92.74 | 0.01 | 90 | null | 1,666.65 | 0.16 | 295 | null | null | null | null | null | null | null | Moberg et al. (1991) | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C16 H18 N2 O6 - | - C16 H18 N2 O6 - | - C64 H72 N8 O24 - | 4 | 1 | AB1160 | A. Ertan; I. Csöregh; H. Adolfsson; C. Moberg | Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes | Acta Crystallographica Section C | 1,995 | 51 | 3 | 385 | 392 | 10.1107/S010827019400853X | 1.54183 | CuKα | null | 0.043 | null | null | 0.056 | null | null | null | null | null | null | null | null | null | has coordinates | A. Ertan; I. Csöregh; H. Adolfsson; C. Moberg
Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes
Acta Crystallographica Section C
51(3)
(1995)
385-392 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,223 | 11.0497 | 0.0006 | 13.1208 | 0.0005 | 13.5252 | 0.0005 | 90 | null | 98.71 | 0.01 | 90 | null | 1,938.28 | 0.16 | 295 | null | null | null | null | null | null | null | Adolfsson et al. (1994) | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C21 H19 Cu N3 O6 - | - C21 H19 Cu N3 O6 - | - C84 H76 Cu4 N12 O24 - | 4 | 1 | AB1160 | Ertan, A.; Csöregh, I.; Adolfsson, H.; Moberg, C. | Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes | Acta Crystallographica Section C | 1,995 | 51 | 3 | 385 | 392 | 10.1107/S010827019400853X | 1.54183 | CuKα | null | 0.048 | null | null | 0.071 | null | null | null | null | null | null | null | null | null | has coordinates | Ertan, A.; Csöregh, I.; Adolfsson, H.; Moberg, C.
Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes
Acta Crystallographica Section C
51(3)
(1995)
385-392 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,407 | 10.7986 | 0.0002 | 12.0402 | 0.0003 | 19.9108 | 0.0005 | 90 | null | 98.259 | 0.001 | 90 | null | 2,561.9 | 0.1 | 295 | 2 | 295 | 2 | null | null | null | null | 7 | P 1 21 1 | P 2yb | 4 | - C51 H53 B5 Cl3 O Os P3 - | - C51 H46 B5 Cl3 O Os P3 - | - C102 H92 B10 Cl6 O2 Os2 P6 - | 2 | 1 | Paul McQuade; Kevin Hupp; Jonathan Bould; Hong Fang; Nigam P. Rath; Rhodri Ll. Thomas; Lawrence Barton | Degradation and Modification of Metallaboranes: Reactions of the Hexaborane(10) Analogue nido-(PPh3)2(CO)OsB5H9 with Phosphines and the Crystal and Molecular Structure of [2,2,2-(PPh3)2(CO)-nido-2-OsB4H7-3-BH2.PPh2Me] | Inorganic Chemistry | 1,999 | 38 | 5415 | 5424 | 10.1021/ic990688k | 0.71073 | MoKα | 0.1099 | 0.0741 | null | null | 0.1676 | 0.1855 | null | null | null | null | null | 1.018 | null | null | has coordinates | Paul McQuade; Kevin Hupp; Jonathan Bould; Hong Fang; Nigam P. Rath; Rhodri Ll. Thomas; Lawrence Barton
Degradation and Modification of Metallaboranes: Reactions of the Hexaborane(10) Analogue nido-(PPh3)2(CO)OsB5H9 with Phosphines and the Crystal and Molecular Structure of [2,2,2-(PPh3)2(CO)-nido-2-OsB4H7-3-BH2.PPh2Me]... | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,224 | 10.2034 | 0.0005 | 15.4648 | 0.0013 | 14.7073 | 0.0009 | 90 | null | 102.4 | 0.01 | 90 | null | 2,266.6 | 0.3 | 295 | null | null | null | null | null | null | null | Adolfsson et al. (1994) | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C26 H20 Cu N3 O6.5 - | - C52 H38 Cu2 N6 O14 - | - C104 H76 Cu4 N12 O28 - | 2 | 0.5 | AB1160 | Ertan, A.; Csöregh, I.; Adolfsson, H.; Moberg, C. | Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes | Acta Crystallographica Section C | 1,995 | 51 | 3 | 385 | 392 | 10.1107/S010827019400853X | 1.54183 | CuKα | null | 0.042 | null | null | 0.059 | null | null | null | null | null | null | null | null | null | has coordinates | Ertan, A.; Csöregh, I.; Adolfsson, H.; Moberg, C.
Complexation with Ligands Containing a Dipyridylmethane Unit. Structures of a Free Ligand and Two Copper(II) Complexes
Acta Crystallographica Section C
51(3)
(1995)
385-392 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,225 | 22.965 | 0.003 | 13.196 | 0.003 | 15.823 | 0.003 | 90 | null | 108.28 | 0.01 | 90 | null | 4,553.1 | 1.5 | 294 | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C6 H21.44 N2 O0.72 S7 Sn3 - | - C6.14 N1.9 O0.605 S7 Sn3 - | - C49.12 N15.2 O4.84 S56 Sn24 - | 8 | 1 | AB1180 | Tan, K.; Ko, Y.; Parise, J. B. | Trimethylammonium Tin Sulfide | Acta Crystallographica Section C | 1,995 | 51 | 3 | 398 | 401 | 10.1107/S0108270194010437 | 0.7107 | MoKα | null | 0.058 | null | null | 0.041 | null | null | null | null | 1.54 | 1.54 | null | null | null | has coordinates | Tan, K.; Ko, Y.; Parise, J. B.
Trimethylammonium Tin Sulfide
Acta Crystallographica Section C
51(3)
(1995)
398-401 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,226 | 10.537 | 0.002 | 10.615 | 0.003 | 21.101 | 0.004 | 90 | null | 92.24 | 0.02 | 90 | null | 2,358.3 | 0.9 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C44 H54 Cd N16 Ni2 - | - C44 H54 Cd N16 Ni2 - | - C88 H108 Cd2 N32 Ni4 - | 2 | 0.5 | AB1195 | Yuge, H.; Iwamoto, T. | Two-Dimensional Open-Frame Host Structure of the Inclusion Compound [Cd(tenH)~2~{Ni(CN)~4~}~2~].4C~6~H~5~NH~2~ (ten = 1,4-Diazabicyclo[2.2.2]octane) | Acta Crystallographica Section C | 1,995 | 51 | 3 | 374 | 377 | 10.1107/S0108270194009388 | 0.71069 | MoKα | null | 0.0417 | null | null | 0.0338 | null | null | null | null | 1.369 | 1.369 | null | null | null | has coordinates | Yuge, H.; Iwamoto, T.
Two-Dimensional Open-Frame Host Structure of the Inclusion Compound [Cd(tenH)~2~{Ni(CN)~4~}~2~].4C~6~H~5~NH~2~ (ten = 1,4-Diazabicyclo[2.2.2]octane)
Acta Crystallographica Section C
51(3)
(1995)
374-377 | 288,340 | 2023-12-15 | 11:09:55 | #------------------------------------------------------------------------------
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2,003,227 | 21.023 | 0.001 | 14.907 | 0.001 | 8.2059 | 0.0007 | 90 | null | 90 | null | 90 | null | 2,571.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 1-methoxy-5-oxo-11-azabenzo[b]fluorene-11-oxide | - C17 H11 N O3 - | - C17 H11 N O3 - | - C136 H88 N8 O24 - | 8 | 1 | AB1206 | Kubicki, M.; Borowiak, T.; Antkowiak, W. Z. | 4-Methoxy-11-oxo-5-azabenzo[<i>b</i>]fluorene <i>N</i>-Oxide and its Free Base | Acta Crystallographica Section C | 1,995 | 51 | 3 | 462 | 465 | 10.1107/S0108270194010528 | 1.54178 | CuKα | 0.0387 | 0.038 | null | 0.0859 | 0.0825 | null | null | null | 1.087 | 1.087 | 1.087 | null | null | null | has coordinates | Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.
4-Methoxy-11-oxo-5-azabenzo[<i>b</i>]fluorene <i>N</i>-Oxide and its Free Base
Acta Crystallographica Section C
51(3)
(1995)
462-465 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,228 | 7.47 | 0.001 | 20.033 | 0.002 | 8.97 | 0.002 | 90 | null | 111.91 | 0.01 | 90 | null | 1,245.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1-methoxy-5-oxo-11-azabenzo[b]fluorene | - C17 H11 N O2 - | - C17 H11 N O2 - | - C68 H44 N4 O8 - | 4 | 1 | AB1206 | Kubicki, M.; Borowiak, T.; Antkowiak, W. Z. | 4-Methoxy-11-oxo-5-azabenzo[<i>b</i>]fluorene <i>N</i>-Oxide and its Free Base | Acta Crystallographica Section C | 1,995 | 51 | 3 | 462 | 465 | 10.1107/S0108270194010528 | 1.54178 | CuKα | 0.1442 | 0.0771 | null | 0.1765 | 0.1561 | null | null | null | 1.875 | 2.423 | 2.423 | null | null | null | has coordinates | Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.
4-Methoxy-11-oxo-5-azabenzo[<i>b</i>]fluorene <i>N</i>-Oxide and its Free Base
Acta Crystallographica Section C
51(3)
(1995)
462-465 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,229 | 16.374 | 0.002 | 20.082 | 0.002 | 19.137 | 0.005 | 90 | null | 90.61 | 0.01 | 90 | null | 6,292.3 | 1.9 | 293 | null | 293 | null | null | null | null | null | synthesised by the authors | 5 | P 1 21/n 1 | -P 2yn | 14 | 2,2',2"-Triammoniumtriethylamine molybdate hexahydrate | - C24 H96 Mo6 N16 O30 - | - C24 H96 Mo6 N16 O30 - | - C96 H384 Mo24 N64 O120 - | 4 | 1 | AB1214 | Alyea, E. C.; Ferguson, G.; Xu, Z. | Hydrogen-Bonded Self-Assembly of Tris(2-ammonioethyl)amine Molybdate Hydrate, 4[N(CH~2~CH~2~NH~3~)~3~]^3+^.6[MoO~4~]^2{-^}.6H~2~O | Acta Crystallographica Section C | 1,995 | 51 | 3 | 353 | 356 | 10.1107/S0108270194009996 | 0.71069 | MolybdenumKα | 0.042 | 0.03 | null | 0.049 | 0.045 | null | null | null | null | 1.25 | 1.25 | null | null | null | has coordinates | Alyea, E. C.; Ferguson, G.; Xu, Z.
Hydrogen-Bonded Self-Assembly of Tris(2-ammonioethyl)amine Molybdate Hydrate, 4[N(CH~2~CH~2~NH~3~)~3~]^3+^.6[MoO~4~]^2{-^}.6H~2~O
Acta Crystallographica Section C
51(3)
(1995)
353-356 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,230 | 11.321 | 0.003 | 10.782 | 0.002 | 17.916 | 0.004 | 90 | null | 90 | null | 90 | null | 2,186.9 | 0.9 | 293 | null | 293 | null | null | null | null | null | synthesised by the authors | 3 | P c a n | -P 2n 2c | 60 | o-phenylenedioxy-bis(dimethyl-4-oxahexanoic acid) | 6,6'-o-phenylenedioxybis(2,2-dimethyl-4-oxahexanoic acid) | - C20 H30 O8 - | - C20 H30 O8 - | - C80 H120 O32 - | 4 | 0.5 | AB1215 | Ferguson, G.; Gallagher, J. F.; McAlees, A. J. | Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids | Acta Crystallographica Section C | 1,995 | 51 | 3 | 454 | 458 | 10.1107/S0108270194010000 | 0.71067 | MolybdenumKα | 0.107 | 0.071 | null | 0.088 | 0.082 | null | null | null | null | 2.04 | 2.04 | null | null | null | has coordinates | Ferguson, G.; Gallagher, J. F.; McAlees, A. J.
Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids
Acta Crystallographica Section C
51(3)
(1995)
454-458 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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4,322,406 | 11.7101 | 0.0002 | 15.8196 | 0.0002 | 24.424 | 0.0004 | 90 | null | 92.339 | 0.001 | 90 | null | 4,520.75 | 0.12 | 217 | 2 | 217 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C44 H49 B Cl6 P2 Ru - | - C44 H49 B Cl6 P2 Ru - | - C176 H196 B4 Cl24 P8 Ru4 - | 4 | 1 | Paul McQuade; Nigam P. Rath; Lawrence Barton | [BH3.PPh2CH2C6H4CH2PPh2.Ru(p-cym)Cl2]: A New Bifunctional Compound and Prototype of a Linked Borane/Metal Cluster Species | Inorganic Chemistry | 1,999 | 38 | 5468 | 5470 | 10.1021/ic990687s | 0.71073 | MoKα | 0.078 | 0.0534 | null | null | 0.1332 | 0.1504 | null | null | null | null | null | 1.027 | null | null | has coordinates | Paul McQuade; Nigam P. Rath; Lawrence Barton
[BH3.PPh2CH2C6H4CH2PPh2.Ru(p-cym)Cl2]: A New Bifunctional Compound and Prototype of a Linked Borane/Metal Cluster Species
Inorganic Chemistry
38
(1999)
5468-5470 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,231 | 12.457 | 0.003 | 9.828 | 0.002 | 12.588 | 0.002 | 90 | null | 106.79 | 0.02 | 90 | null | 1,475.4 | 0.5 | 293 | null | 293 | null | null | null | null | null | synthesised by authors | 3 | P 1 21/a 1 | -P 2yab | 14 | tetramethyl-4,7-dioxadecanedioic acid | 2,2,9,9-tetramethyl-4,7-dioxadecanedioic acid | - C12 H22 O6 - | - C12 H22 O6 - | - C48 H88 O24 - | 4 | 1 | AB1215 | Ferguson, G.; Gallagher, J. F.; McAlees, A. J. | Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids | Acta Crystallographica Section C | 1,995 | 51 | 3 | 454 | 458 | 10.1107/S0108270194010000 | 0.71067 | MolybdenumKα | 0.097 | 0.038 | null | 0.061 | 0.052 | null | null | null | null | 1.35 | 1.35 | null | null | null | has coordinates | Ferguson, G.; Gallagher, J. F.; McAlees, A. J.
Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids
Acta Crystallographica Section C
51(3)
(1995)
454-458 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,232 | 5.765 | 0.002 | 11.951 | 0.002 | 13.325 | 0.002 | 98.17 | 0.02 | 91.71 | 0.02 | 101.48 | 0.02 | 889 | 0.4 | 293 | null | 293 | null | null | null | null | null | synthesised by the authors | 3 | P -1 | -P 1 | 2 | hexamethyl-4,8-dioxaundecanedioic acid | 2,2,6,6,10,10-hexamethyl-4,8-dioxaundecanedioic acid | - C15 H28 O6 - | - C15 H28 O6 - | - C30 H56 O12 - | 2 | 1 | AB1215 | Ferguson, G.; Gallagher, J. F.; McAlees, A. J. | Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids | Acta Crystallographica Section C | 1,995 | 51 | 3 | 454 | 458 | 10.1107/S0108270194010000 | 0.71067 | MolybdenumKα | 0.091 | 0.04 | null | 0.065 | 0.057 | null | null | null | null | 1.55 | 1.55 | null | null | null | has coordinates | Ferguson, G.; Gallagher, J. F.; McAlees, A. J.
Ligands for Application in Coordination Chemistry: Three Dicarboxylic Acids
Acta Crystallographica Section C
51(3)
(1995)
454-458 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,233 | 14.565 | 0.003 | 15.359 | 0.003 | 7.883 | 0.002 | 90 | null | 90.08 | 0.02 | 90 | null | 1,763.5 | 0.7 | 293 | 1 | null | null | null | null | null | null | totally synthetic | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C20 H18 O7 - | - C21 H23 O7 - | - C84 H92 O28 - | 4 | 1 | AS1118 | Cotterill, A. S.; Gable, R. W.; Gill, M. | Methyl Austrocorticinate | Acta Crystallographica Section C | 1,995 | 51 | 3 | 500 | 502 | 10.1107/S010827019400956X | 0.71069 | MoKᾱ | null | 0.063 | null | null | 0.043 | null | null | null | null | 1.876 | 1.876 | null | null | null | has coordinates | Cotterill, A. S.; Gable, R. W.; Gill, M.
Methyl Austrocorticinate
Acta Crystallographica Section C
51(3)
(1995)
500-502 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,234 | 15.387 | 0.002 | 7.705 | 0.002 | 16.013 | 0.002 | 90 | null | 90 | null | 90 | null | 1,898.5 | 0.6 | 296 | null | 296 | null | null | null | null | null | synthesized and crystallized from EtOH/H~2~O solution | 5 | P n a 21 | P 2c -2n | 33 | 6-ethyl-9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidyl)-5-methyl-1-oxo-1H,5H- benzo[i,j]quinolizine-2-carboxylic acid | - C21 H25 F N2 O4 - | - C21 H25 F N2 O4 - | - C84 H100 F4 N8 O16 - | 4 | 1 | AS1135 | Hashimoto, K.; Fujita, N.; Tanaka, T.; Kido, M. | 6-Ethyl-9-fluoro-6,7-dihydro-8-(4-hydroxy-piperidino)-5-methyl-1-oxo-1<i>H</i>,5<i>H</i>-benzo[<i>ij</i>]quinolizine-2-carboxylic Acid | Acta Crystallographica Section C | 1,995 | 51 | 3 | 519 | 521 | 10.1107/S0108270194008504 | 0.7107 | MoKα | null | 0.036 | null | null | 0.04 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Hashimoto, K.; Fujita, N.; Tanaka, T.; Kido, M.
6-Ethyl-9-fluoro-6,7-dihydro-8-(4-hydroxy-piperidino)-5-methyl-1-oxo-1<i>H</i>,5<i>H</i>-benzo[<i>ij</i>]quinolizine-2-carboxylic Acid
Acta Crystallographica Section C
51(3)
(1995)
519-521 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,235 | 12.325 | 0.004 | 8.553 | 0.003 | 16.299 | 0.007 | 90 | null | 103.39 | 0.03 | 90 | null | 1,671.5 | 1.1 | 293 | null | null | null | null | null | null | null | EPA, recrystallized from ethanol | 6 | P 1 21/c 1 | -P 2ybc | null | - C12 H16 N3 O3 P S2 - | - C12 H22 N3 O3 P S2 - | - C48 H88 N12 O12 P4 S8 - | 4 | 1 | BK1007 | Baughman, R. G.; Allen, J. L. | Organophosphorus Insecticides. 16. Azinphos Ethyl: <i>O</i>,<i>O</i>-Diethyl <i>S</i>-{[4-Oxo-1,2,3-benzotriazin-3(4<i>H</i>)-yl]methyl} Phosphorodithioate, C~12~H~16~N~3~O~3~PS~2~ | Acta Crystallographica Section C | 1,995 | 51 | 3 | 521 | 523 | 10.1107/S0108270194007705 | 0.71073 | MoKα | null | 0.05 | null | null | 0.044 | null | null | null | null | 1.5 | 1.5 | null | null | null | has coordinates | Baughman, R. G.; Allen, J. L.
Organophosphorus Insecticides. 16. Azinphos Ethyl: <i>O</i>,<i>O</i>-Diethyl <i>S</i>-{[4-Oxo-1,2,3-benzotriazin-3(4<i>H</i>)-yl]methyl} Phosphorodithioate, C~12~H~16~N~3~O~3~PS~2~
Acta Crystallographica Section C
51(3)
(1995)
521-523 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,236 | 12.241 | 0.005 | 16.05 | 0.05 | 9.63 | 0.004 | 90 | null | 110.73 | 0.03 | 90 | null | 1,769 | 6 | 173 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C11 H24 N6 S3 - | - C11 H24 N6 S3 - | - C44 H96 N24 S12 - | 4 | 1 | BK1026 | Garneau, I.; Raymond, S.; Brisse, F. | A Thiourea–1,5-Cyclooctadiene Clathrate at 173 K | Acta Crystallographica Section C | 1,995 | 51 | 3 | 538 | 541 | 10.1107/S0108270194007717 | 1.54178 | GraphitemonochromatedCuKᾱ | null | 0.0432 | null | null | 0.0539 | null | null | null | null | 1.872 | 1.872 | null | null | null | has coordinates | Garneau, I.; Raymond, S.; Brisse, F.
A Thiourea–1,5-Cyclooctadiene Clathrate at 173 K
Acta Crystallographica Section C
51(3)
(1995)
538-541 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,237 | 13.364 | 0.002 | 12.991 | 0.002 | 13.548 | 0.002 | 90 | null | 108.35 | 0.012 | 90 | null | 2,232.5 | 0.6 | 293 | null | null | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H32 B Cl F4 Mo P3 - | - C14 H32 B Cl F4 Mo P3 - | - C56 H128 B4 Cl4 F16 Mo4 P12 - | 4 | 1 | BK1037 | Fettinger, J. C.; Kraatz, H.-B.; Poli, R.; Rheingold, A. L. | [CpMoCl(PMe~3~)~3~][BF~4~] and [Cp*MoCl(PMe~3~)~3~][PF~6~] | Acta Crystallographica Section C | 1,995 | 51 | 3 | 364 | 367 | 10.1107/S010827019400898X | 0.7093 | MoKα | 0.074 | 0.052 | null | 0.066 | 0.056 | null | null | null | null | 1.051 | 1.051 | null | null | null | has coordinates | Fettinger, J. C.; Kraatz, H.-B.; Poli, R.; Rheingold, A. L.
[CpMoCl(PMe~3~)~3~][BF~4~] and [Cp*MoCl(PMe~3~)~3~][PF~6~]
Acta Crystallographica Section C
51(3)
(1995)
364-367 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,405 | 13.4766 | 0.0005 | 13.4766 | 0.0005 | 13.3615 | 0.0007 | 90 | null | 90 | null | 120 | null | 2,101.58 | 0.16 | 223 | 2 | 223 | 2 | null | null | null | null | synthesis | 5 | P 63/m c m | -P 6c 2 | 193 | - C30 H42 Co2 N12 Sn3 - | - C29.4 H44.88 Co2 N12 Sn3 - | - C58.8 H89.76 Co4 N24 Sn6 - | 2 | 0.083333 | Tianyan Niu; Allan J. Jacobson | Syntheses and Structural Characterizations of the Three-dimensional Polymers [(R2Sn)3{Co(CN)6}2.X] (R = Vinyl, Propyl, Butyl; X = Solvent) | Inorganic Chemistry | 1,999 | 38 | 5346 | 5350 | 10.1021/ic990648g | 0.71073 | MoKα | 0.0226 | 0.019 | null | 0.0605 | 0.057 | null | null | null | 1.229 | 1.233 | 1.233 | null | null | null | has coordinates | Tianyan Niu; Allan J. Jacobson
Syntheses and Structural Characterizations of the Three-dimensional Polymers [(R2Sn)3{Co(CN)6}2.X] (R = Vinyl, Propyl, Butyl; X = Solvent)
Inorganic Chemistry
38
(1999)
5346-5350 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,238 | 12.369 | 0.006 | 14.664 | 0.005 | 15.769 | 0.005 | 90 | null | 90.96 | 0.03 | 90 | null | 2,859.8 | 1.9 | 299 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C19 H42 Cl F6 Mo P4 - | - C19 H42 Cl F6 Mo P4 - | - C76 H168 Cl4 F24 Mo4 P16 - | 4 | 1 | BK1037 | Fettinger, J. C.; Kraatz, H.-B.; Poli, R.; Rheingold, A. L. | [CpMoCl(PMe~3~)~3~][BF~4~] and [Cp*MoCl(PMe~3~)~3~][PF~6~] | Acta Crystallographica Section C | 1,995 | 51 | 3 | 364 | 367 | 10.1107/S010827019400898X | 0.7093 | MoKα | 0.0851 | 0.0694 | null | 0.1255 | 0.1193 | null | null | null | null | 1.89 | 1.89 | null | null | null | has coordinates | Fettinger, J. C.; Kraatz, H.-B.; Poli, R.; Rheingold, A. L.
[CpMoCl(PMe~3~)~3~][BF~4~] and [Cp*MoCl(PMe~3~)~3~][PF~6~]
Acta Crystallographica Section C
51(3)
(1995)
364-367 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,239 | 14.3565 | 0.0007 | 14.8021 | 0.0008 | 25.612 | 0.002 | 90 | null | 90 | null | 90 | null | 5,442.7 | 0.6 | 295 | null | null | null | null | null | null | null | slow cooling of p-xylene solution | 4 | P b c a | -P 2ac 2ab | 61 | - C22 H24 Cl8 O6 - | - C22 H24 Cl8 O6 - | - C176 H192 Cl64 O48 - | 8 | 1 | BK1038 | Garcia, J. G.; Fronczek, F. R. | The <i>endo</i>-<i>endo</i>-<i>syn</i> Diels–Alder Diadduct of Tetrachlorodimethoxycyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene | Acta Crystallographica Section C | 1,995 | 51 | 3 | 468 | 471 | 10.1107/S0108270194008681 | 0.71073 | MoKα | null | 0.035 | null | null | 0.037 | null | null | null | null | 1.468 | 1.468 | null | null | null | has coordinates | Garcia, J. G.; Fronczek, F. R.
The <i>endo</i>-<i>endo</i>-<i>syn</i> Diels–Alder Diadduct of Tetrachlorodimethoxycyclopentadiene with 1,6-Dioxacyclodeca-3,8-diene
Acta Crystallographica Section C
51(3)
(1995)
468-471 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,240 | 13.684 | 0.005 | 20.294 | 0.005 | 13.09 | 0.004 | 98.64 | 0.02 | 107.98 | 0.03 | 91.06 | 0.02 | 3,410.2 | 1.9 | 200 | null | null | null | null | null | null | null | from acetic acid/CH~2~Cl~2~ solution | 5 | P -1 | -P 1 | 2 | - C71 H84 Cl2 N4 O10 - | - C71 H84 Cl2 N4 O10 - | - C142 H168 Cl4 N8 O20 - | 2 | 1 | BK1046 | Barkigia, K. M.; Fajer, J.; Berber, M. D.; Smith, K. M. | A Solvate of the Diacetate Salt of the Octaethyltetraphenylporphyrin Dication, H~4~OETPP^2+^.2CH~3~COO^{-^}.3CH~3~COOH.CH~2~Cl~2~ | Acta Crystallographica Section C | 1,995 | 51 | 3 | 511 | 515 | 10.1107/S0108270194008978 | 1.5418 | CuKα | null | 0.095 | null | null | 0.119 | null | null | null | null | 3.17 | 3.17 | null | null | null | has coordinates | Barkigia, K. M.; Fajer, J.; Berber, M. D.; Smith, K. M.
A Solvate of the Diacetate Salt of the Octaethyltetraphenylporphyrin Dication, H~4~OETPP^2+^.2CH~3~COO^{-^}.3CH~3~COOH.CH~2~Cl~2~
Acta Crystallographica Section C
51(3)
(1995)
511-515 | 190,721 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,241 | 7.162 | 0.001 | 7.417 | 0.001 | 9.469 | 0.002 | 69.27 | 0.02 | 93.79 | 0.02 | 92.41 | 0.02 | 469.31 | 0.15 | 298 | null | 298 | null | null | null | null | null | The title compound was obtained by reaction of 2,6-dimethoxypyridine with Vilsmeier's reagent following a literature procedure (Shiao, Shyu & Tarng, 1990). Suitable crystals for this study were obtained from dichloromethane--hexane (1:2), m.p. 415--416 K. | 5 | P -1 | -P 1 | 2 | 2-chloro-6-dimethylamino-3,5-diformylpyridine | - C9 H9 Cl N2 O2 - | - C9 H9 Cl N2 O2 - | - C18 H18 Cl2 N4 O4 - | 2 | 1 | BK1066 | Lai, L.-L.; Liu, L.-K.; Shiao, M.-J.; Wen, Y.-S. | 2-Chloro-6-dimethylamino-3,5-pyridine-dicarbaldehyde | Acta Crystallographica Section C | 1,995 | 51 | 3 | 517 | 519 | 10.1107/S0108270194010310 | 0.7107 | MoKα | 0.036 | 0.028 | null | 0.038 | 0.037 | null | null | null | null | 1.95 | 1.95 | null | null | null | has coordinates | Lai, L.-L.; Liu, L.-K.; Shiao, M.-J.; Wen, Y.-S.
2-Chloro-6-dimethylamino-3,5-pyridine-dicarbaldehyde
Acta Crystallographica Section C
51(3)
(1995)
517-519 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,242 | 10.677 | 0.007 | 16.763 | 0.008 | 10.015 | 0.005 | 90 | null | 90 | null | 90 | null | 1,792.5 | 1.7 | 295 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C16 H27 O6 P - | - C16 H27 O6 P - | - C64 H108 O24 P4 - | 4 | 1 | BK1079 | Capron, M. A.; An, J.; Swenson, D. C.; Wiemer, D. F. | Cyclic (1<i>R</i>,3<i>R</i>)-1,3-Dimethyltrimethylene [(5<i>R</i>)-2-Hydroxy-5-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-1-cyclohexen-1-yl]phosphonate, a Stable Enol | Acta Crystallographica Section C | 1,995 | 51 | 3 | 479 | 482 | 10.1107/S0108270194010164 | 0.71073 | MoKα | null | 0.037 | null | null | 0.048 | null | null | null | null | 1.09 | 1.09 | null | null | null | has coordinates | Capron, M. A.; An, J.; Swenson, D. C.; Wiemer, D. F.
Cyclic (1<i>R</i>,3<i>R</i>)-1,3-Dimethyltrimethylene [(5<i>R</i>)-2-Hydroxy-5-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-1-cyclohexen-1-yl]phosphonate, a Stable Enol
Acta Crystallographica Section C
51(3)
(1995)
479-482 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,243 | 6.149 | 0.003 | 9.221 | 0.008 | 3.121 | 0.001 | 90.29 | 0.05 | 92.23 | 0.04 | 104.3 | 0.05 | 171.33 | 0.18 | 296 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - B2 Mg2 O5 - | - B2 Mg2 O5 - | - B4 Mg4 O10 - | 2 | 1 | BR1079 | Guo, G.-C.; Cheng, W.-D.; Chen, J.-T.; Huang, J.-S.; Zhang, Q.-E. | Triclinic Mg~2~B~2~O~5~ | Acta Crystallographica Section C | 1,995 | 51 | 3 | 351 | 353 | 10.1107/S0108270194009303 | 0.71069 | MoKα | null | 0.03 | null | null | 0.047 | null | null | null | null | 1.55 | 1.55 | null | null | null | has coordinates | Guo, G.-C.; Cheng, W.-D.; Chen, J.-T.; Huang, J.-S.; Zhang, Q.-E.
Triclinic Mg~2~B~2~O~5~
Acta Crystallographica Section C
51(3)
(1995)
351-353 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,244 | 6.676 | 0.001 | 7.969 | 0.002 | 14.259 | 0.002 | 90 | null | 93 | 0.01 | 90 | null | 757.6 | 0.2 | 296 | null | null | null | null | null | null | null | grown from a melt of composition 1SrO:1K~2~O:4B~2 | 4 | P 1 21/c 1 | -P 2ybc | 14 | - B5 K O9 Sr - | - B5 K O9 Sr - | - B20 K4 O36 Sr4 - | 4 | 1 | BR1081 | Tu, J.-M.; Keszler, D. A. | SrKB~5~O~9~ | Acta Crystallographica Section C | 1,995 | 51 | 3 | 341 | 343 | 10.1107/S0108270194007493 | 0.71069 | MoKα | null | 0.044 | null | null | 0.048 | null | null | null | null | 1.27 | 1.27 | null | null | null | has coordinates | Tu, J.-M.; Keszler, D. A.
SrKB~5~O~9~
Acta Crystallographica Section C
51(3)
(1995)
341-343 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,245 | 5.951 | 0.001 | 5.951 | 0.001 | 28.875 | 0.006 | 90 | null | 90 | null | 120 | null | 885.6 | 0.3 | 295 | 2 | null | null | null | null | null | null | cooled from 1723 to 1523 K at 15 K h^-1^ | Crystals of the title compound were prepared by melting a pre-reacted stoichiometric powder mixture in sealed Pt tube, which was then cooled from 1723 to 1523 K at 15 K h^-1^. | 3 | R -3 m :H | -R 3 2" | 166 | - Co10 Ge3 O16 - | - Co10 Ge3 O16 - | - Co30 Ge9 O48 - | 3 | 0.083333 | BR1086 | Barbier, J. | Co~10~Ge~3~O~16~ | Acta Crystallographica Section C | 1,995 | 51 | 3 | 343 | 345 | 10.1107/S0108270194010954 | 0.5608 | AgKα | null | 0.058 | null | null | 0.069 | null | null | null | null | 0.82 | 0.82 | null | null | null | has coordinates | Barbier, J.
Co~10~Ge~3~O~16~
Acta Crystallographica Section C
51(3)
(1995)
343-345 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,246 | 18.56 | 0.003 | 13.335 | 0.004 | 9.677 | 0.003 | 90 | null | 90 | null | 90 | null | 2,395 | 1.1 | 295 | 1 | 295 | 1 | null | null | null | null | 7 | P n m a | -P 2ac 2n | 62 | - C6 H2 Cl3 Cs6 Fe N6 O - | - C5 Cl2.5 Cs5 Fe0.5 N5 O - | - C20 Cl10 Cs20 Fe2 N20 O4 - | 4 | 0.5 | BR1089 | Capparelli, M. V.; Murgich, J. | Cs~6~Cl~3~[Fe(CN)~6~].H~2~O: a Mixed-Anion Salt | Acta Crystallographica Section C | 1,995 | 51 | 3 | 356 | 358 | 10.1107/S010827019401022X | 0.71069 | MoKα | null | 0.0243 | null | null | 0.0276 | null | null | null | null | 2.188 | 2.188 | null | null | null | has coordinates | Capparelli, M. V.; Murgich, J.
Cs~6~Cl~3~[Fe(CN)~6~].H~2~O: a Mixed-Anion Salt
Acta Crystallographica Section C
51(3)
(1995)
356-358 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,247 | 6.799 | 0.02 | 6.938 | 0.007 | 7.011 | 0.005 | 77.51 | 0.07 | 72.59 | 0.1 | 78.5 | 0.13 | 304.9 | 1 | 291 | 2 | 291 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Nickel tin(II) fluoride hexahydrate | Nickel bistrifluorostannate(II) hexaydrate | - F6 H12 Ni O6 Sn2 - | - F6 H12 Ni O6 Sn2 - | - F6 H12 Ni O6 Sn2 - | 1 | 0.5 | BR1092 | Abrahams, I.; Donaldson, J. D.; Khan, Z. I. | Nickel Bistrifluorostannate(II) Hexahydrate, [Ni(H~2~O)~6~](SnF~3~)~2~ | Acta Crystallographica Section C | 1,995 | 51 | 3 | 345 | 346 | 10.1107/S0108270194011340 | 0.71069 | MoKα | 0.0247 | 0.0214 | null | 0.0566 | 0.0559 | null | null | null | 1.099 | 1.133 | 1.133 | null | null | null | has coordinates | Abrahams, I.; Donaldson, J. D.; Khan, Z. I.
Nickel Bistrifluorostannate(II) Hexahydrate, [Ni(H~2~O)~6~](SnF~3~)~2~
Acta Crystallographica Section C
51(3)
(1995)
345-346 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,404 | 13.7408 | 0.0005 | 13.7408 | 0.0005 | 13.3631 | 0.0007 | 90 | null | 90 | null | 120 | null | 2,185.05 | 0.16 | 223 | 2 | 223 | 2 | null | null | null | null | 5 | P 63/m c m | -P 6c 2 | 193 | - C36 H54 Co2 N12 Sn3 - | - C35.28 Co2 N12 Sn3 - | - C70.56 Co4 N24 Sn6 - | 2 | 0.083333 | Tianyan Niu; Allan J. Jacobson | Syntheses and Structural Characterizations of the Three-dimensional Polymers [(R2Sn)3{Co(CN)6}2.X] (R = Vinyl, Propyl, Butyl; X = Solvent) | Inorganic Chemistry | 1,999 | 38 | 5346 | 5350 | 10.1021/ic990648g | 0.71073 | MoKα | 0.0531 | 0.0472 | null | 0.1165 | 0.1088 | null | null | null | 1.287 | 1.297 | 1.297 | null | null | null | has coordinates | Tianyan Niu; Allan J. Jacobson
Syntheses and Structural Characterizations of the Three-dimensional Polymers [(R2Sn)3{Co(CN)6}2.X] (R = Vinyl, Propyl, Butyl; X = Solvent)
Inorganic Chemistry
38
(1999)
5346-5350 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,248 | 4.795 | 0.001 | 7.108 | 0.001 | 7.83 | 0.002 | 89.83 | 0.03 | 87.59 | 0.03 | 73.11 | 0.03 | 255.12 | 0.1 | 298 | null | 298 | null | null | null | null | null | heated progressively to 1243 K; heating an appropriate mixture of material to 1275 K | 4 | P -1 | -P 1 | 2 | Strontium Iron(III) Diphosphate | - Fe2 O14 P4 Sr - | - Fe2 O14 P4 Sr - | - Fe2 O14 P4 Sr - | 1 | 0.5 | BR1094 | Boutfessi, A.; Boukhari, A.; Holt, E. M. | Strontium Diiron(III) Pyrophosphate | Acta Crystallographica Section C | 1,995 | 51 | 3 | 346 | 348 | 10.1107/S0108270194010693 | 0.71073 | MoKα | null | 0.0378 | null | null | 0.0463 | null | null | null | null | 1.13 | 1.13 | null | null | null | has coordinates | Boutfessi, A.; Boukhari, A.; Holt, E. M.
Strontium Diiron(III) Pyrophosphate
Acta Crystallographica Section C
51(3)
(1995)
346-348 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,249 | 8.962 | 0.001 | 11.136 | 0.002 | 8.922 | 0.001 | 95.14 | 0.01 | 104.5 | 0.01 | 86.74 | 0.01 | 858 | 0.2 | 296 | null | 296 | null | null | null | null | null | Sigma Chemical Co.,St. Louis, Mo.,USA | 5 | P -1 | -P 1 | 2 | - C20 H18 N2 O2 S - | - C20 H18 N2 O2 S - | - C40 H36 N4 O4 S2 - | 2 | 1 | CD1034 | Jasinski, J. P.; Paight, E. S. | 3-(2-Benzothiazolyl)-7-(diethylamino)coumarin | Acta Crystallographica Section C | 1,995 | 51 | 3 | 531 | 533 | 10.1107/S0108270194003628 | 0.7107 | MoKα | null | 0.0359 | null | null | 0.0413 | null | null | null | null | 1.528 | 1.528 | null | null | null | has coordinates | Jasinski, J. P.; Paight, E. S.
3-(2-Benzothiazolyl)-7-(diethylamino)coumarin
Acta Crystallographica Section C
51(3)
(1995)
531-533 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,250 | 6.929 | 0.003 | 6.725 | 0.003 | 10.778 | 0.005 | 90 | null | 99.27 | 0.04 | 90 | null | 495.7 | 0.4 | 235 | null | null | null | null | null | null | null | recrystallization from ethyl acetate | 3 | P 1 21 1 | P 2yb | 4 | - C12 H12 O4 - | - C12 H12 O4 - | - C24 H24 O8 - | 2 | 1 | CD1064 | Sondossi, M.; Lloyd, B. A.; Bariault, D.; Sylvestre, M.; Simard, M. | Microbial Transformation of a Dihydroxybiphenyl | Acta Crystallographica Section C | 1,995 | 51 | 3 | 491 | 494 | 10.1107/S0108270194008590 | 1.54056 | CuKα | null | 0.046 | null | null | 0.053 | null | null | null | null | 2.84 | 2.84 | null | null | null | has coordinates | Sondossi, M.; Lloyd, B. A.; Bariault, D.; Sylvestre, M.; Simard, M.
Microbial Transformation of a Dihydroxybiphenyl
Acta Crystallographica Section C
51(3)
(1995)
491-494 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,251 | 11.186 | 0.001 | 15.064 | 0.003 | 17.281 | 0.005 | 90 | null | 103.9 | 0.02 | 90 | null | 2,826.7 | 1.1 | 296 | null | null | null | null | null | null | null | slow evaporation from CH~2~Cl~2~/iso-octane solution | 3 | P 1 21 1 | P 2yb | 4 | - C30 H50 O3 - | - C30 H50 O3 - | - C120 H200 O12 - | 4 | 2 | CR1102 | Schultz, L. W.; Clardy, J.; Lessinger, L. | 9,11-Secogorgost-5-en-9-one-3β,11-diol, a Marine Steroid from the Sea Whip <i>Pseudopterogorgia hummelinkii</i> | Acta Crystallographica Section C | 1,995 | 51 | 3 | 415 | 419 | 10.1107/S010827019400452X | 1.54178 | CuKα | null | 0.0529 | null | null | 0.0674 | null | null | null | null | 1.1313 | 1.1313 | null | null | null | has coordinates | Schultz, L. W.; Clardy, J.; Lessinger, L.
9,11-Secogorgost-5-en-9-one-3β,11-diol, a Marine Steroid from the Sea Whip <i>Pseudopterogorgia hummelinkii</i>
Acta Crystallographica Section C
51(3)
(1995)
415-419 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,252 | 14.822 | 0.003 | 7.055 | 0.001 | 10.205 | 0.002 | 90 | null | 123.79 | 0.01 | 90 | null | 886.9 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | C 1 2/m 1 | -C 2y | 12 | - Eu2 H3 O9 P3 - | - Eu2 H4 O10 P4 - | - Eu8 H16 O40 P16 - | 4 | 0.5 | DU1051 | Foulon, J.-D.; Durand, J.; Cot, L.; Tijani, N.; Rafiq, M. | Eu~2~(PO~3~H)~3~ | Acta Crystallographica Section C | 1,995 | 51 | 3 | 348 | 350 | 10.1107/S0108270193007796 | 0.71073 | MoKα | null | 0.026 | null | null | 0.032 | null | null | null | null | 3.34 | 3.34 | null | null | null | has coordinates | Foulon, J.-D.; Durand, J.; Cot, L.; Tijani, N.; Rafiq, M.
Eu~2~(PO~3~H)~3~
Acta Crystallographica Section C
51(3)
(1995)
348-350 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,253 | 11.484 | 0.003 | 15.913 | 0.004 | 9.407 | 0.003 | 90 | null | 101.46 | 0.01 | 90 | null | 1,684.8 | 0.8 | 293 | 2 | 213 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1-(2-Diphenylphosphinophenyl)-1-propanone | - C21 H19 O P - | - C21 H19 O P - | - C84 H76 O4 P4 - | 4 | 1 | FG1009 | Rasley, B. T.; Rapta, M.; Kulawiec, R. J. | 2'-(Diphenylphosphino)propiophenone, a Functionalized Tertiary Phosphine | Acta Crystallographica Section C | 1,995 | 51 | 3 | 523 | 525 | 10.1107/S0108270194006578 | 0.71073 | MoKα | 0.0577 | 0.04 | null | 0.1045 | 0.0944 | null | null | null | 1.046 | 1.07 | 1.07 | null | null | null | has coordinates | Rasley, B. T.; Rapta, M.; Kulawiec, R. J.
2'-(Diphenylphosphino)propiophenone, a Functionalized Tertiary Phosphine
Acta Crystallographica Section C
51(3)
(1995)
523-525 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,254 | 8.713 | 0.004 | 11.553 | 0.001 | 15.612 | 0.006 | 90 | 0.02 | 107.94 | 0.05 | 90 | 0.03 | 1,495.1 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | synthesis (Cambie et al., 1987) | 3 | P 1 21/c 1 | -P 2ybc | 14 | 13-hydroxy-6-methoxy-4-methyl-7,12-dihydro-1,4epoxy-1H-anthra[2,3-d]-1,2- dioxepin-7,12-dione | - C19 H14 O7 - | - C19 H14 O7 - | - C76 H56 O28 - | 4 | 1 | FG1034 | Buckleton, J. S.; Clark, G. R.; Rickard, C. E. F. | A Stable Ozonide | Acta Crystallographica Section C | 1,995 | 51 | 3 | 494 | 495 | 10.1107/S0108270194010577 | 1.5418 | CuKα | 0.0843 | 0.0606 | null | 0.1745 | 0.1666 | null | null | null | 1.018 | 1.157 | 1.157 | null | null | null | has coordinates | Buckleton, J. S.; Clark, G. R.; Rickard, C. E. F.
A Stable Ozonide
Acta Crystallographica Section C
51(3)
(1995)
494-495 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,255 | 11.408 | 0.002 | 11.495 | 0.002 | 17.672 | 0.004 | 90 | null | 90 | null | 90 | null | 2,317.4 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | 3-(Trimethylsilyl)methyl Tetracylo[5.4.0.0^6,10^.0^9,11^] Undecan-4-yl 3,5-Dinitrobenzoate | - C22 H28 N2 O6 Si - | - C22 H28 N2 O6 Si - | - C88 H112 N8 O24 Si4 - | 4 | 1 | FG1035 | Lautens, M.; Lough, A. J.; Tam, W. | 4-[(Trimethylsilyl)methyl]tetracyclo[5.4.0.0^6,10^.0^9,11^]undec-3-yl 3,5-Dinitrobenzoate | Acta Crystallographica Section C | 1,995 | 51 | 3 | 471 | 473 | 10.1107/S0108270194010966 | 0.71073 | MoKα | 0.0988 | 0.0483 | null | 0.1279 | 0.1092 | null | null | null | 1.024 | 1.113 | 1.113 | null | null | null | has coordinates | Lautens, M.; Lough, A. J.; Tam, W.
4-[(Trimethylsilyl)methyl]tetracyclo[5.4.0.0^6,10^.0^9,11^]undec-3-yl 3,5-Dinitrobenzoate
Acta Crystallographica Section C
51(3)
(1995)
471-473 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,256 | 10.555 | 0.003 | 12.68 | 0.003 | 13.675 | 0.004 | 62.42 | 0.02 | 87.01 | 0.02 | 85.63 | 0.02 | 1,617.2 | 0.8 | 193 | 2 | 193 | 2 | null | null | null | null | 2 | P -1 | -P 1 | 2 | 1-diphenylmethylene-4-triphenylmethyl-cyclohexa-2,5-diene | - C44 H36 - | - C44 H36 - | - C88 H72 - | 2 | 1 | HA1119 | Bochkarev, L. N.; Molosnova, N. E.; Zakharov, L. N.; Fukin, G. K.; Yanovsky, A. I.; Struchkov, Y. T. | 1-Diphenylmethylene-4-(triphenylmethyl)cyclohexa-2,5-diene Benzene Solvate | Acta Crystallographica Section C | 1,995 | 51 | 3 | 489 | 491 | 10.1107/S0108270194009005 | 0.71073 | MoKα | 0.1106 | 0.0525 | null | 0.179 | 0.1291 | null | null | null | 1.038 | 0.988 | 0.988 | null | null | null | has coordinates | Bochkarev, L. N.; Molosnova, N. E.; Zakharov, L. N.; Fukin, G. K.; Yanovsky, A. I.; Struchkov, Y. T.
1-Diphenylmethylene-4-(triphenylmethyl)cyclohexa-2,5-diene Benzene Solvate
Acta Crystallographica Section C
51(3)
(1995)
489-491 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,257 | 7.544 | 0.003 | 8.576 | 0.003 | 12.014 | 0.007 | 78.01 | 0.03 | 83.36 | 0.03 | 71.41 | 0.03 | 719.6 | 0.6 | 295 | 2 | 295 | 2 | null | null | null | null | The title compound was obtained by the reaction of PhNHN=C(Me)CHO with 2,2-dimethyl-1,3-dioxane-4,6-dione. Crystals were grown from ethanol (McNab & Stobie, 1982). | 4 | P -1 | -P 1 | 2 | 5-(1,2-Diaza-3-methyl-1-phenylbutadien-4-ylidene)-Meldrum's acid | 5-(1,2-Diaza-3-methyl-1-phenylbutadien-4-ylidene)-2,2-dimethyl-1,3-dioxane -4,6-dione | - C15 H16 N2 O4 - | - C15 H16 N2 O4 - | - C30 H32 N4 O8 - | 2 | 1 | HA1123 | Blake, A. J.; McNab, H. | 2,2-Dimethyl-5-(2-methyl-4-phenyl-3,4-diaza-2-butenylidene)-1,3-dioxane-4,6-dione | Acta Crystallographica Section C | 1,995 | 51 | 3 | 527 | 529 | 10.1107/S0108270194008371 | 0.71073 | MoKα | 0.0541 | 0.0397 | null | 0.1394 | 0.1285 | null | null | null | 1.056 | 1.124 | 1.124 | null | null | null | has coordinates | Blake, A. J.; McNab, H.
2,2-Dimethyl-5-(2-methyl-4-phenyl-3,4-diaza-2-butenylidene)-1,3-dioxane-4,6-dione
Acta Crystallographica Section C
51(3)
(1995)
527-529 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,258 | 11.25 | 0.007 | 8.564 | 0.005 | 4.157 | 0.002 | 90 | null | 90 | null | 90 | null | 400.5 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | By crystallisation from an aqueous solution containing Pb(NCS)~2~ and sodium acetate | 6 | P b n m | -P 2c 2ab | 62 | Lead hydroxy thiocyanate | - C H N O Pb S - | - C N2 O Pb S - | - C4 N8 O4 Pb4 S4 - | 4 | 0.5 | HA1124 | Adovasio, V.; Nardelli, M. | Metal‒Hydroxy Ribbons in Pb(OH)(NCS) | Acta Crystallographica Section C | 1,995 | 51 | 3 | 380 | 382 | 10.1107/S0108270194009145 | 0.71069 | MoKα | null | 0.0264 | null | null | 0.0579 | null | null | null | null | 1.171 | 1.171 | null | null | null | has coordinates | Adovasio, V.; Nardelli, M.
Metal‒Hydroxy Ribbons in Pb(OH)(NCS)
Acta Crystallographica Section C
51(3)
(1995)
380-382 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,259 | 5.8813 | 0.0014 | 15.474 | 0.003 | 14.919 | 0.006 | 90 | null | 95.64 | 0.03 | 90 | null | 1,351.2 | 0.7 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | The title compound was made by a Wittig reaction of 2-(t-butylthio)benzalde- hyde with methyl triphenylphosphoranylidenacetate in dichloromethane (MacPherson, 1994; Cadogan, MacPherson & McNab, 1994). Crystals were grown from hexane solution. | 4 | P 1 21/n 1 | -P 2yn | 14 | Methyl 2-(t-Butylthio)cinnamate | Methyl 3-[2-(t-Butylthio)phenyl]propenoate | - C14 H18 O2 S - | - C14 H18 O2 S - | - C56 H72 O8 S4 - | 4 | 1 | HA1130 | Blake, A. J.; Cadogan, J. I. G.; Dijksma, F. J. J.; Gould, R. O.; MacPherson, A. D.; McNab, H. | Methyl 3-[2-(<i>tert</i>-Butylthio)phenyl]propenoate | Acta Crystallographica Section C | 1,995 | 51 | 3 | 509 | 511 | 10.1107/S0108270194009777 | 0.71073 | MoKα | 0.0393 | 0.0295 | null | 0.0803 | 0.0727 | null | null | null | 1.063 | 1.071 | 1.071 | null | null | null | has coordinates | Blake, A. J.; Cadogan, J. I. G.; Dijksma, F. J. J.; Gould, R. O.; MacPherson, A. D.; McNab, H.
Methyl 3-[2-(<i>tert</i>-Butylthio)phenyl]propenoate
Acta Crystallographica Section C
51(3)
(1995)
509-511 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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4,322,403 | 13.0342 | 0.0005 | 13.0342 | 0.0005 | 13.6775 | 0.0007 | 90 | null | 90 | null | 120 | null | 2,012.36 | 0.15 | 223 | 2 | 223 | 2 | null | null | null | null | synthesis | 5 | P 63/m c m | -P 6c 2 | 193 | - C26 H22 Co2 N12 Sn3 - | - C25.92 Co2 N12 Sn3 - | - C51.84 Co4 N24 Sn6 - | 2 | 0.083333 | Tianyan Niu; Allan J. Jacobson | Syntheses and Structural Characterizations of the Three-dimensional Polymers [(R2Sn)3{Co(CN)6}2.X] (R = Vinyl, Propyl, Butyl; X = Solvent) | Inorganic Chemistry | 1,999 | 38 | 5346 | 5350 | 10.1021/ic990648g | 0.71073 | MoKα | 0.0205 | 0.0198 | null | 0.0551 | 0.0551 | null | null | null | 1.515 | 1.517 | 1.517 | null | null | null | has coordinates | Tianyan Niu; Allan J. Jacobson
Syntheses and Structural Characterizations of the Three-dimensional Polymers [(R2Sn)3{Co(CN)6}2.X] (R = Vinyl, Propyl, Butyl; X = Solvent)
Inorganic Chemistry
38
(1999)
5346-5350 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,260 | 11.79 | 0.006 | 11.79 | 0.006 | 18.373 | 0.004 | 90 | null | 90 | null | 120 | null | 2,211.8 | 1.7 | 296 | null | null | null | null | null | null | null | from CH~2~Cl~2~/Et~2~O | 4 | P 65 2 2 | P 65 2 (0 0 1) | 179 | - C14 H16 I P - | - C14 H16 I P - | - C84 H96 I6 P6 - | 6 | 0.5 | HR1009 | Staples, R. J.; Carlson, T.; Wang, S.; Fackler, Jnr, J. P. | Dimethyldiphenylphosphonium Iodide, [PPh~2~(CH~3~)~2~]^+^.I^{-^}, and Dimethyldiphenylphosphonium Bromide, [PPh~2~(CH~3~)~2~]^+^.Br^{-^} | Acta Crystallographica Section C | 1,995 | 51 | 3 | 498 | 500 | 10.1107/S0108270194009157 | 0.71073 | MoKα | null | 0.021 | null | null | 0.0242 | null | null | null | null | 1.13 | 1.13 | null | null | null | has coordinates | Staples, R. J.; Carlson, T.; Wang, S.; Fackler, Jnr, J. P.
Dimethyldiphenylphosphonium Iodide, [PPh~2~(CH~3~)~2~]^+^.I^{-^}, and Dimethyldiphenylphosphonium Bromide, [PPh~2~(CH~3~)~2~]^+^.Br^{-^}
Acta Crystallographica Section C
51(3)
(1995)
498-500 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,261 | 11.603 | 0.002 | 11.603 | 0.002 | 17.968 | 0.005 | 90 | null | 90 | null | 120 | null | 2,094.9 | 0.8 | 296 | null | null | null | null | null | null | null | from CH~2~Cl~2~/Et~2~O | 4 | P 65 2 2 | P 65 2 (0 0 1) | 179 | - C14 H16 Br P - | - C14 H16 Br P - | - C84 H96 Br6 P6 - | 6 | 0.5 | HR1009 | Staples, R. J.; Carlson, T.; Wang, S.; Fackler, Jnr, J. P. | Dimethyldiphenylphosphonium Iodide, [PPh~2~(CH~3~)~2~]^+^.I^{-^}, and Dimethyldiphenylphosphonium Bromide, [PPh~2~(CH~3~)~2~]^+^.Br^{-^} | Acta Crystallographica Section C | 1,995 | 51 | 3 | 498 | 500 | 10.1107/S0108270194009157 | 0.71073 | MoKα | null | 0.039 | null | null | 0.0464 | null | null | null | null | 1.02 | 1.02 | null | null | null | has coordinates | Staples, R. J.; Carlson, T.; Wang, S.; Fackler, Jnr, J. P.
Dimethyldiphenylphosphonium Iodide, [PPh~2~(CH~3~)~2~]^+^.I^{-^}, and Dimethyldiphenylphosphonium Bromide, [PPh~2~(CH~3~)~2~]^+^.Br^{-^}
Acta Crystallographica Section C
51(3)
(1995)
498-500 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,262 | 8.497 | 0.003 | 9.902 | 0.003 | 21.03 | 0.005 | 90 | null | 92.14 | 0.01 | 90 | null | 1,768.2 | 0.9 | 293 | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C16 H20 Cu N3 O7 - | - C16 H19 Cu N3 O7.5 - | - C64 H76 Cu4 N12 O30 - | 4 | 2 | HU1069 | Baggio, R. F.; Calvo, R.; Brondino, C.; Garland, M. T.; Atria, A. M.; Spodine, E. | A Novel Structure of (<small>L</small>-Aspartato)(1,10-phenanthroline)copper(II) Hydrate | Acta Crystallographica Section C | 1,995 | 51 | 3 | 382 | 385 | 10.1107/S0108270194009297 | 0.71073 | MoKα | null | 0.0322 | null | null | 0.0424 | null | null | null | null | 1.12 | 1.12 | null | null | null | has coordinates | Baggio, R. F.; Calvo, R.; Brondino, C.; Garland, M. T.; Atria, A. M.; Spodine, E.
A Novel Structure of (<small>L</small>-Aspartato)(1,10-phenanthroline)copper(II) Hydrate
Acta Crystallographica Section C
51(3)
(1995)
382-385 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,003,263 | 9.793 | 0.001 | 9.793 | 0.001 | 9.978 | 0.002 | 90 | null | 90 | null | 120 | null | 828.7 | 0.2 | 293 | 10 | 293 | 10 | null | null | null | null | 5 | P 32 | P 32 | 145 | N-(2R)-bromopropionyl-(2S)-proline methyl ester | - C9 H14 Br N O3 - | - C9 H14 Br N O3 - | - C27 H42 Br3 N3 O9 - | 3 | 1 | HU1118 | Ingham, S. L.; Lenman, M. M. | <i>N</i>-[2(<i>R</i>)-Bromopropanoyl]-(2<i>S</i>)-proline Methyl Ester | Acta Crystallographica Section C | 1,995 | 51 | 3 | 537 | 538 | 10.1107/S0108270194007961 | 0.71073 | MoKα | 0.0397 | 0.0343 | null | 0.0944 | 0.0909 | null | null | null | 1.124 | 1.14 | 1.14 | null | null | null | has coordinates | Ingham, S. L.; Lenman, M. M.
<i>N</i>-[2(<i>R</i>)-Bromopropanoyl]-(2<i>S</i>)-proline Methyl Ester
Acta Crystallographica Section C
51(3)
(1995)
537-538 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,264 | 12.514 | 0.005 | 7.433 | 0.004 | 13.956 | 0.006 | 90 | null | 114.86 | 0.03 | 90 | null | 1,177.9 | 1 | 150 | 2 | null | null | null | null | null | null | 5 | C 1 c 1 | C -2yc | 9 | Tetraethylammonium perchlorate | - C8 H20 Cl N O4 - | - C8 H20 Cl N O4 - | - C32 H80 Cl4 N4 O16 - | 4 | 1 | HU1122 | Kivikoski, J.; Howard, J. A. K.; Kelly, P.; Parker, D. | Tetraethylammonium Perchlorate at 150 K | Acta Crystallographica Section C | 1,995 | 51 | 3 | 535 | 536 | 10.1107/S0108270194008619 | 0.71073 | MoKα | null | 0.0489 | null | null | 0.0517 | null | null | null | null | null | null | null | null | null | has coordinates | Kivikoski, J.; Howard, J. A. K.; Kelly, P.; Parker, D.
Tetraethylammonium Perchlorate at 150 K
Acta Crystallographica Section C
51(3)
(1995)
535-536 | 190,394 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-11 13:54:23 +0200 (Wed, 11 Jan 2017) $
#$Revision: 190394 $
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2,003,265 | 8.421 | 0.002 | 11.421 | 0.002 | 17.431 | 0.004 | 90 | null | 93.84 | 0.01 | 90 | null | 1,672.7 | 0.6 | 294 | null | null | null | null | null | null | null | 7 | P 1 21/c 1 | null | - C13 H18 As F6 O P Ru - | - C13 H18 As F10 O P Ru - | - C52 H72 As4 F40 O4 P4 Ru4 - | 4 | 1 | KA1055 | Kirchner, K.; Schmid, R.; Mereiter, K. | [Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(CH~3~)~3~}]PF~6~ and [Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(C~6~H~5~)~3~}]PF~6~ | Acta Crystallographica Section C | 1,995 | 51 | 3 | 361 | 364 | 10.1107/S0108270194005688 | 0.71069 | MoKα | null | 0.026 | null | null | 0.03 | null | null | null | null | 1.31 | 1.31 | null | null | null | has coordinates | Kirchner, K.; Schmid, R.; Mereiter, K.
[Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(CH~3~)~3~}]PF~6~ and [Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(C~6~H~5~)~3~}]PF~6~
Acta Crystallographica Section C
51(3)
(1995)
361-364 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,266 | 8.076 | 0.001 | 24.399 | 0.004 | 13.337 | 0.002 | 90 | null | 96.52 | 0.01 | 90 | null | 2,611 | 0.7 | 295 | null | null | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C28 H24 As F6 O P Ru - | - C28 H24 As F6 O P Ru - | - C112 H96 As4 F24 O4 P4 Ru4 - | 4 | 1 | KA1055 | Kirchner, K.; Schmid, R.; Mereiter, K. | [Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(CH~3~)~3~}]PF~6~ and [Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(C~6~H~5~)~3~}]PF~6~ | Acta Crystallographica Section C | 1,995 | 51 | 3 | 361 | 364 | 10.1107/S0108270194005688 | 0.71069 | MoKα | null | 0.028 | null | null | 0.027 | null | null | null | null | 1.14 | 1.14 | null | null | null | has coordinates | Kirchner, K.; Schmid, R.; Mereiter, K.
[Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(CH~3~)~3~}]PF~6~ and [Ru(η^5^-C~5~H~5~)(η^4^-C~5~H~4~O){As(C~6~H~5~)~3~}]PF~6~
Acta Crystallographica Section C
51(3)
(1995)
361-364 | 208,377 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $
#$Revision: 208377 $
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2,003,267 | 8.411 | 0.002 | 7.094 | 0.001 | 19.349 | 0.004 | 90 | null | 90 | null | 90 | null | 1,154.5 | 0.4 | 293 | null | null | null | null | null | null | null | recrystallized from water | 4 | P b c a | -P 2ac 2ab | 61 | - C2 H7 N5 S - | - C2 H7 N5 S - | - C16 H56 N40 S8 - | 8 | 1 | KA1069 | Heinemann, F. W.; Hartung, H.; Dehne, H.; Scheunemann, A. | Thiooxalic Acid 2-Amide-1-hydrazide-2-hydrazone | Acta Crystallographica Section C | 1,995 | 51 | 3 | 442 | 445 | 10.1107/S0108270194005494 | 0.71073 | MoKα | null | 0.0333 | null | null | 0.0804 | null | null | null | null | 1.004 | 1.004 | null | null | null | has coordinates | Heinemann, F. W.; Hartung, H.; Dehne, H.; Scheunemann, A.
Thiooxalic Acid 2-Amide-1-hydrazide-2-hydrazone
Acta Crystallographica Section C
51(3)
(1995)
442-445 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,268 | 24.667 | 0.004 | 10.573 | 0.003 | 15.736 | 0.004 | 90 | null | 90 | null | 90 | null | 4,104 | 1.7 | 293 | 2 | 293 | 2 | null | null | null | null | synthesis | 6 | C c c 2 | C 2 -2c | 37 | bis(thiourea)bis(benzoato)zinc(II) | - C16 H18 N4 O4 S2 Zn - | - C16 H18 N4 O4 S2 Zn - | - C128 H144 N32 O32 S16 Zn8 - | 8 | 1 | KA1071 | Černák, J.; Adzimová, I.; Gérard, F.; Hardy, A.-M. | Bis(benzoato-<i>O</i>)bis(thiourea-<i>S</i>)zinc(II) | Acta Crystallographica Section C | 1,995 | 51 | 3 | 392 | 395 | 10.1107/S0108270194004075 | 0.7093 | MoKα | 0.0517 | 0.0286 | null | 0.0728 | 0.0664 | null | null | null | 0.955 | 1.075 | 1.075 | null | null | null | has coordinates | Černák, J.; Adzimová, I.; Gérard, F.; Hardy, A.-M.
Bis(benzoato-<i>O</i>)bis(thiourea-<i>S</i>)zinc(II)
Acta Crystallographica Section C
51(3)
(1995)
392-395 | 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/2/00/32/2003268.cif $
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4,322,402 | 18.081 | 0.01 | 26.406 | 0.015 | 17.191 | 0.011 | 93.84 | 0.03 | 102.89 | 0.03 | 89.03 | 0.03 | 7,983 | 8 | null | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C141 H118 Cl10 Mn12 O48 P - | - C145.661 Cl3.16161 Mn12 O47.4 P - | - C291.322 Cl6.32321 Mn24 O94.8 P2 - | 2 | 1 | Sheila M. J. Aubin; Ziming Sun; Luca Pardi; J. Krzystek; Kirsten Folting; Louis-Claude Brunel; Arnold L. Rheingold; George Christou; David N. Hendrickson | Reduced Anionic Mn12 Molecules with Half-Integer Ground States as Single-Molecule Magnets | Inorganic Chemistry | 1,999 | 38 | 5329 | 5340 | 10.1021/ic990613g | 0.71069 | MoKα | null | 0.146 | null | null | null | 0.152 | null | null | null | null | null | 3.0493 | null | null | has coordinates,has disorder | Sheila M. J. Aubin; Ziming Sun; Luca Pardi; J. Krzystek; Kirsten Folting; Louis-Claude Brunel; Arnold L. Rheingold; George Christou; David N. Hendrickson
Reduced Anionic Mn12 Molecules with Half-Integer Ground States as Single-Molecule Magnets
Inorganic Chemistry
38
(1999)
5329-5340 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,269 | 14.257 | 0.002 | 7.2001 | 0.0008 | 12.871 | 0.001 | 90 | null | 108.88 | 0.01 | 90 | null | 1,250.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | 1-hydroxy-5,6-dihydro-12-azabenzo[a]anthracene-N-oxide | - C17 H13 N O2 - | - C17 H13 N O2 - | - C68 H52 N4 O8 - | 4 | 1 | KA1078 | Kubicki, M.; Borowiak, T.; Antkowiak, W. Z. | Hindered Cavity-Shaped <i>N</i>-Oxides | Acta Crystallographica Section C | 1,995 | 51 | 3 | 458 | 461 | 10.1107/S0108270194003665 | 1.54178 | CuKα | 0.0605 | 0.0421 | null | 0.1244 | 0.1112 | null | null | null | 1.109 | 1.159 | 1.159 | null | null | null | has coordinates | Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.
Hindered Cavity-Shaped <i>N</i>-Oxides
Acta Crystallographica Section C
51(3)
(1995)
458-461 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,270 | 16.092 | 0.002 | 7.906 | 0.001 | 11.889 | 0.001 | 90 | null | 115.2 | 0.01 | 90 | null | 1,368.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 n 1 | P -2yac | 7 | 1-methoxy-5,6-dihydro-12-azabenzo[a]anthracene-N-oxide | - C18 H15 N O2 - | - C18 H15 N O2 - | - C72 H60 N4 O8 - | 4 | 2 | KA1078 | Kubicki, M.; Borowiak, T.; Antkowiak, W. Z. | Hindered Cavity-Shaped <i>N</i>-Oxides | Acta Crystallographica Section C | 1,995 | 51 | 3 | 458 | 461 | 10.1107/S0108270194003665 | 1.54178 | CuKα | 0.0576 | 0.0553 | null | 0.145 | 0.1412 | null | null | null | 1.072 | 1.08 | 1.08 | null | null | null | has coordinates | Kubicki, M.; Borowiak, T.; Antkowiak, W. Z.
Hindered Cavity-Shaped <i>N</i>-Oxides
Acta Crystallographica Section C
51(3)
(1995)
458-461 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,271 | 17.158 | 0.002 | 17.158 | 0.002 | 17.158 | 0.002 | 116.66 | 0.02 | 116.66 | 0.02 | 116.66 | 0.02 | 2,344 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | R 3 c :R | P 3* -2n | 161 | - C15 H25 N3 O - | - C15 H25 N3 O - | - C90 H150 N18 O6 - | 6 | 1 | KA1083 | Anulewicz, R.; Fiertek, D.; Izdebski, J. | 1-Cyclohexyl-2-cyclohexylamino-5(4<i>H</i>)-imidazolone | Acta Crystallographica Section C | 1,995 | 51 | 3 | 541 | 543 | 10.1107/S0108270194006529 | 1.54056 | CuKα | 0.0943 | 0.0493 | null | 0.1482 | 0.1148 | null | null | null | 1.08 | 1.081 | 1.081 | null | null | null | has coordinates | Anulewicz, R.; Fiertek, D.; Izdebski, J.
1-Cyclohexyl-2-cyclohexylamino-5(4<i>H</i>)-imidazolone
Acta Crystallographica Section C
51(3)
(1995)
541-543 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,272 | 13.274 | 0.004 | 7.746 | 0.002 | 15.08 | 0.005 | 90 | null | 108.33 | 0.03 | 90 | null | 1,471.9 | 0.8 | 293 | null | null | null | null | null | null | null | Synthesis | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C17 H22 O5 - | - C17 H22 O5 - | - C68 H88 O20 - | 4 | 1 | KA1087 | Guidetti-Grept, R.; Herzog, B.; Debrunner, B.; Siljegovic, V.; Keese, R.; Frey, H.-M.; Hauser, A.; König, O.; Lüthi, S.; Birrer, J.; Nyffeler, D.; Förtsch, M.; Bürgi, H.-B. | A [5.5.5.5]Fenestrane Derivative | Acta Crystallographica Section C | 1,995 | 51 | 3 | 495 | 497 | 10.1107/S0108270194009455 | 0.71069 | MoKα | null | 0.04 | null | null | 0.055 | null | null | null | null | 1.534 | 1.534 | null | null | null | has coordinates | Guidetti-Grept, R.; Herzog, B.; Debrunner, B.; Siljegovic, V.; Keese, R.; Frey, H.-M.; Hauser, A.; König, O.; Lüthi, S.; Birrer, J.; Nyffeler, D.; Förtsch, M.; Bürgi, H.-B.
A [5.5.5.5]Fenestrane Derivative
Acta Crystallographica Section C
51(3)
(1995)
495-497 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,273 | 27.85 | 0.007 | 5.217 | 0.003 | 13.463 | 0.004 | 90 | null | 80.57 | 0.02 | 90 | null | 1,929.7 | 1.3 | 295 | null | null | null | null | null | null | null | synthetic | 4 | C 1 2 1 | C 2y | 5 | - C18 H25 N O5 - | - C18 H25 N O5 - | - C72 H100 N4 O20 - | 4 | 1 | KA1090 | Weber, H. P.; Scholz, D.; Schmidt, H.; Gstach, H. | (2<i>S</i>,3<i>R</i>,4<i>S</i>)-4-(1,1-Dimethylethoxycarbonylamino)-2,3-epoxy-5-phenylpentanoic Acid Ethyl Ester | Acta Crystallographica Section C | 1,995 | 51 | 3 | 477 | 479 | 10.1107/S0108270194010656 | 1.54184 | CuKα | null | 0.098 | null | null | 0.109 | null | null | null | null | 0.538 | 0.538 | null | null | null | has coordinates | Weber, H. P.; Scholz, D.; Schmidt, H.; Gstach, H.
(2<i>S</i>,3<i>R</i>,4<i>S</i>)-4-(1,1-Dimethylethoxycarbonylamino)-2,3-epoxy-5-phenylpentanoic Acid Ethyl Ester
Acta Crystallographica Section C
51(3)
(1995)
477-479 | 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/2/00/32/2003273.cif $
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2,003,274 | 15.412 | 0.008 | 8.169 | 0.002 | 19.487 | 0.004 | 90 | null | 110.91 | 0.03 | 90 | null | 2,291.8 | 1.5 | 293 | null | null | null | null | null | null | null | Crystallized from methanol | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C10 H12 F N5 O - | - C10 H12 F N5 O - | - C80 H96 F8 N40 O8 - | 8 | 2 | LI1096 | Janes, R. W.; Palmer, R. A. | A Lamotrigine Analogue: 3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine Methanol Solvate | Acta Crystallographica Section C | 1,995 | 51 | 3 | 440 | 442 | 10.1107/S0108270194005378 | 1.54178 | CuKα | null | 0.0579 | null | null | 0.0733 | null | null | null | null | null | null | null | null | null | has coordinates | Janes, R. W.; Palmer, R. A.
A Lamotrigine Analogue: 3,5-Diamino-6-(2-fluorophenyl)-1,2,4-triazine Methanol Solvate
Acta Crystallographica Section C
51(3)
(1995)
440-442 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$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/2/00/32/2003274.cif $
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2,003,275 | 25.171 | 0.003 | 5.245 | 0.001 | 15.557 | 0.002 | 90 | null | 121.92 | 0.02 | 90 | null | 1,743.3 | 0.6 | 296 | null | 296 | null | null | null | null | null | synthesis | 5 | C 1 2/c 1 | -C 2yc | 15 | 2-Fluoro-8,8-Dimethyl-9-Oxa-4,7-Diazabicyclo[4.3.0]Nona-1,6-Dien-3,5-Dione | - C8 H7 F N2 O3 - | - C8 H7 F N2 O3 - | - C64 H56 F8 N16 O24 - | 8 | 1 | LI1122 | Banks, R. E.; Jondi, W. J.; Pritchard, R. G.; Tipping, A. E. | 5-Fluoro-8,8-dimethyl-7-oxa-3,9-diazabicyclo[4.3.0]nona-5,9-diene-2,4-dione (C~8~H~7~FN~2~O~3~): a Novel Product from Pyrolysis of <i>N</i>-Isopropylidene-<i>O</i>-tetrafluoro-4-pyridylhydroxylamine in Glass | Acta Crystallographica Section C | 1,995 | 51 | 3 | 515 | 517 | 10.1107/S0108270194008772 | 0.71069 | MoKα | null | 0.0414 | null | null | 0.027 | null | null | null | null | 1.947 | 1.947 | null | null | null | has coordinates | Banks, R. E.; Jondi, W. J.; Pritchard, R. G.; Tipping, A. E.
5-Fluoro-8,8-dimethyl-7-oxa-3,9-diazabicyclo[4.3.0]nona-5,9-diene-2,4-dione (C~8~H~7~FN~2~O~3~): a Novel Product from Pyrolysis of <i>N</i>-Isopropylidene-<i>O</i>-tetrafluoro-4-pyridylhydroxylamine in Glass
Acta Crystallographica Section C
51(3)
(1995)
515-5... | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
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#$Revision: 301791 $
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2,003,276 | 9.456 | 0.002 | 22.745 | 0.004 | 16.707 | 0.003 | 90 | null | 93.16 | 0.02 | 90 | null | 3,587.8 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 8 | P 1 21/c 1 | -P 2ybc | 14 | - C32 H34 Cl3 N Ni O5 P2 S2 - | - C31 H34 N Ni O P2 S2 - | - C124 H136 N4 Ni4 O4 P8 S8 - | 4 | 1 | LI1125 | Akilan, R.; Sivakumar, K.; Venkatachalam, V.; Ramalingam, K.; Chinnakali, K.; Fun, H.-K. | [1,2-Bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>'](4-morpholinecarbodithioato-<i>S</i>,<i>S</i>')nickel(II) Perchlorate Dichloromethane Solvate | Acta Crystallographica Section C | 1,995 | 51 | 3 | 368 | 370 | 10.1107/S010827019401070X | 0.71073 | MoKα | 0.1259 | 0.051 | null | 0.1306 | 0.1073 | null | null | null | 0.869 | 1.059 | 1.059 | null | null | null | has coordinates | Akilan, R.; Sivakumar, K.; Venkatachalam, V.; Ramalingam, K.; Chinnakali, K.; Fun, H.-K.
[1,2-Bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>'](4-morpholinecarbodithioato-<i>S</i>,<i>S</i>')nickel(II) Perchlorate Dichloromethane Solvate
Acta Crystallographica Section C
51(3)
(1995)
368-370 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,277 | 7.95 | 0.001 | 8.88 | 0.001 | 17.525 | 0.003 | 90 | null | 90 | null | 90 | null | 1,237.2 | 0.3 | 295 | null | null | null | null | null | null | null | Dissolving glutaric acid/lithium carbonate (1mol:0.5mol) in water yields crystals on standing | 4 | P b c a | -P 2ac 2ab | null | - C5 H7 Li O4 - | - C5 H7 Li O4 - | - C40 H56 Li8 O32 - | 8 | 1 | MU1051 | Macdonald, A. L.; Murray, A.; Freer, A. A.; Henderson, K. | Lithium and Caesium Hydrogen Glutarate | Acta Crystallographica Section C | 1,995 | 51 | 3 | 404 | 406 | 10.1107/S0108270194005524 | 1.5418 | CuKα | null | 0.037 | null | null | 0.051 | null | null | null | null | 2.74 | 2.74 | null | null | null | has coordinates | Macdonald, A. L.; Murray, A.; Freer, A. A.; Henderson, K.
Lithium and Caesium Hydrogen Glutarate
Acta Crystallographica Section C
51(3)
(1995)
404-406 | 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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2,003,278 | 13.222 | 0.002 | 18.633 | 0.003 | 10.092 | 0.002 | 90 | null | 103.02 | 0.01 | 90 | null | 2,422.4 | 0.7 | 293 | null | null | null | null | null | null | null | Glutaric acid/caesium carbonate (1mol:0.5mol) dissolved in water yields crystals on standing | 4 | C 1 2/m 1 | -C 2y | 12 | - C5 H7 Cs O4 - | - C5 H7 Cs O4 - | - C60 H84 Cs12 O48 - | 12 | 1.5 | MU1051 | Macdonald, A. L.; Murray, A.; Freer, A. A.; Henderson, K. | Lithium and Caesium Hydrogen Glutarate | Acta Crystallographica Section C | 1,995 | 51 | 3 | 404 | 406 | 10.1107/S0108270194005524 | 0.71069 | MoKα | null | 0.029 | null | null | 0.043 | null | null | null | null | 2.4 | 2.4 | null | null | null | has coordinates | Macdonald, A. L.; Murray, A.; Freer, A. A.; Henderson, K.
Lithium and Caesium Hydrogen Glutarate
Acta Crystallographica Section C
51(3)
(1995)
404-406 | 198,392 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-04 20:00:09 +0300 (Tue, 04 Jul 2017) $
#$Revision: 198392 $
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2,003,279 | 12.679 | 0.006 | 14.794 | 0.01 | 12.653 | 0.007 | 114.16 | 0.05 | 117.54 | 0.04 | 75.97 | 0.06 | 1,916 | 2 | 293 | null | null | null | null | null | null | null | Crystallized from methanol | 6 | P -1 | -P 1 | 2 | - C16 H16 Co N3 O5 S3 - | - C15.5 H16 Co N3 O4.5 S3 - | - C62 H64 Co4 N12 O18 S12 - | 4 | 2 | MU1088 | Xu, Y.-J.; Kang, B.-S.; Chen, X.-T.; Huang, L.-R. | <i>fac</i>-[Co(C~5~H~4~NOS)~3~].H~2~O. 1/2CH~3~OH and <i>fac</i>-[Co(C~5~H~4~NOS)~3~]. 1/3CH~3~OH | Acta Crystallographica Section C | 1,995 | 51 | 3 | 370 | 374 | 10.1107/S0108270194006207 | 0.71069 | MoKα | null | 0.062 | null | null | 0.064 | null | null | null | null | 1.36 | 1.36 | null | null | null | has coordinates | Xu, Y.-J.; Kang, B.-S.; Chen, X.-T.; Huang, L.-R.
<i>fac</i>-[Co(C~5~H~4~NOS)~3~].H~2~O. 1/2CH~3~OH and <i>fac</i>-[Co(C~5~H~4~NOS)~3~]. 1/3CH~3~OH
Acta Crystallographica Section C
51(3)
(1995)
370-374 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
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2,003,280 | 21.997 | 0.011 | 9.094 | 0.005 | 27.594 | 0.009 | 90 | null | 95.87 | 0.04 | 90 | null | 5,491 | 4 | 296 | 1 | null | null | null | null | null | null | Crystallized from methanol | 6 | P 1 21/n 1 | -P 2yn | 14 | - C16 H13 Co N3 O4 S3 - | - C15.3333 H13.3333 Co N3 O3.33333 S3 - | - C184 H160 Co12 N36 O40 S36 - | 12 | 3 | MU1088 | Xu, Y.-J.; Kang, B.-S.; Chen, X.-T.; Huang, L.-R. | <i>fac</i>-[Co(C~5~H~4~NOS)~3~].H~2~O. 1/2CH~3~OH and <i>fac</i>-[Co(C~5~H~4~NOS)~3~]. 1/3CH~3~OH | Acta Crystallographica Section C | 1,995 | 51 | 3 | 370 | 374 | 10.1107/S0108270194006207 | 0.71069 | MoKα | null | 0.052 | null | null | 0.062 | null | null | null | null | 1.38 | 1.38 | null | null | null | has coordinates | Xu, Y.-J.; Kang, B.-S.; Chen, X.-T.; Huang, L.-R.
<i>fac</i>-[Co(C~5~H~4~NOS)~3~].H~2~O. 1/2CH~3~OH and <i>fac</i>-[Co(C~5~H~4~NOS)~3~]. 1/3CH~3~OH
Acta Crystallographica Section C
51(3)
(1995)
370-374 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/32/2003280.cif $
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2,003,281 | 7.511 | 0.003 | 9.468 | 0.005 | 8.142 | 0.002 | 88.26 | 0.04 | 112.69 | 0.02 | 92.23 | 0.04 | 533.7 | 0.4 | 295 | null | null | null | null | null | null | null | Synthesis | 4 | P -1 | -P 1 | 2 | - C7 H12 N4 S2 - | - C7 H12 N4 S2 - | - C14 H24 N8 S4 - | 2 | 1 | MU1121 | Seth, S.; Sur, H. | A 1:1 Adduct of 4,6-Dimethylpyrimidine-2(1<i>H</i>)-thione and Thiourea | Acta Crystallographica Section C | 1,995 | 51 | 3 | 487 | 489 | 10.1107/S0108270194009236 | 0.71073 | MoKα | null | 0.034 | null | null | 0.038 | null | null | null | null | 1.13 | 1.13 | null | null | null | has coordinates | Seth, S.; Sur, H.
A 1:1 Adduct of 4,6-Dimethylpyrimidine-2(1<i>H</i>)-thione and Thiourea
Acta Crystallographica Section C
51(3)
(1995)
487-489 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$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/2/00/32/2003281.cif $
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2,003,282 | 11.161 | 0.002 | 11.338 | 0.006 | 17.206 | 0.013 | 98.726 | 0.056 | 107.306 | 0.04 | 111.682 | 0.039 | 1,846 | 2 | 210 | 1 | null | null | null | null | null | null | slow diffusion of n-hexane into dichloromethane solution at 243 K | 7 | P -1 | -P 1 | 2 | - C28 H38 B9 Cl4 P2 Rh S - | - C28 H38 B9 Cl4 P2 Rh S - | - C56 H76 B18 Cl8 P4 Rh2 S2 - | 2 | 1 | MU1131 | Adams, K. J.; McGrath, T. D.; Welch, A. J. | 8-(Ph~2~PCH~2~CH~2~PPh~2~)-8,7-<i>nido</i>-RhSB~9~H~10~.2CH~2~Cl~2~ | Acta Crystallographica Section C | 1,995 | 51 | 3 | 401 | 403 | 10.1107/S0108270194009947 | 0.71069 | MoKα | null | 0.0528 | null | null | 0.0846 | null | null | null | null | 1.618 | 1.618 | null | null | null | has coordinates | Adams, K. J.; McGrath, T. D.; Welch, A. J.
8-(Ph~2~PCH~2~CH~2~PPh~2~)-8,7-<i>nido</i>-RhSB~9~H~10~.2CH~2~Cl~2~
Acta Crystallographica Section C
51(3)
(1995)
401-403 | 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/2/00/32/2003282.cif $
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4,322,401 | 14.368 | 0.004 | 25.469 | 0.007 | 18.479 | 0.005 | 90 | null | 90 | null | 90 | null | 6,762 | 3 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | P b c n | -P 2n 2ab | 60 | - C44 H54 Cl4 N24 Ni4 O28 - | - C44 H54 Cl4 N24 Ni4 O28 - | - C176 H216 Cl16 N96 Ni16 O112 - | 4 | 0.5 | Craig J. Matthews; Karen Avery; Zhiqiang Xu; Laurence K. Thompson; Liang Zhao; David O. Miller; Kumar Biradha; Karen Poirier; Michael J. Zaworotko; Claire Wilson; Andrés E. Goeta; Judith A. K. Howard | Tetranuclear Copper(II) and Nickel(II) Cluster Complexes Derived by Self-Assembly from a Series of Tetradentate Diazine Ligands: Structural and Magnetic Studies | Inorganic Chemistry | 1,999 | 38 | 5266 | 5276 | 10.1021/ic990598f | 0.71073 | MoKα | 0.0871 | 0.0449 | null | null | 0.1043 | 0.1194 | null | null | null | null | null | 1.022 | null | null | has coordinates,has disorder | Craig J. Matthews; Karen Avery; Zhiqiang Xu; Laurence K. Thompson; Liang Zhao; David O. Miller; Kumar Biradha; Karen Poirier; Michael J. Zaworotko; Claire Wilson; Andrés E. Goeta; Judith A. K. Howard
Tetranuclear Copper(II) and Nickel(II) Cluster Complexes Derived by Self-Assembly from a Series of Tetradentate Diazine ... | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:25:49 +0200 (Wed, 23 Mar 2016) $
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2,003,283 | 11.8386 | 0.0009 | 15.3158 | 0.0012 | 7.7899 | 0.0006 | 90 | null | 95.97 | 0.008 | 90 | null | 1,404.79 | 0.19 | 295 | 2 | 295 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C19 H15 N - | - C19 H15 N - | - C76 H60 N4 - | 4 | 1 | MU1138 | Clegg, W.; Hewkin, C. T.; Jackson, R. F. W. | 2,6-Diphenyl-3-vinylpyridine | Acta Crystallographica Section C | 1,995 | 51 | 3 | 525 | 527 | 10.1107/S0108270194010814 | 1.54184 | CuKα | 0.0633 | 0.0588 | null | 0.1739 | 0.1597 | null | null | null | 1.059 | 1.064 | 1.064 | null | null | null | has coordinates,has Fobs | Clegg, W.; Hewkin, C. T.; Jackson, R. F. W.
2,6-Diphenyl-3-vinylpyridine
Acta Crystallographica Section C
51(3)
(1995)
525-527 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$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/2/00/32/2003283.cif $
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2,003,284 | 13.179 | 0.001 | 12.075 | 0.001 | 17.963 | 0.001 | 90 | null | 109.1 | 0.007 | 90 | null | 2,701.2 | 0.4 | 296 | 1 | 296.2 | null | null | null | null | null | isolation | 3 | P 1 21 1 | P 2yb | 4 | - C62 H52 O24 - | - C62 H52 O24 - | - C124 H104 O48 - | 2 | 1 | NA1086 | Bryant, F. O.; Cutler, H. G.; Burla, M. C.; Newton, M. G. | Duclauxin Ethyl Acetate Solvate, 2C~29~H~22~O~11~.C~4~H~8~O~2~ | Acta Crystallographica Section C | 1,995 | 51 | 3 | 437 | 440 | 10.1107/S010827019400394X | 1.54178 | CuKᾱ | null | 0.038 | null | null | 0.042 | null | null | null | null | 3.13 | 3.13 | null | null | null | has coordinates | Bryant, F. O.; Cutler, H. G.; Burla, M. C.; Newton, M. G.
Duclauxin Ethyl Acetate Solvate, 2C~29~H~22~O~11~.C~4~H~8~O~2~
Acta Crystallographica Section C
51(3)
(1995)
437-440 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$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/2/00/32/2003284.cif $
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2,003,285 | 5.593 | 0.001 | 12.227 | 0.002 | 15.705 | 0.007 | 90 | null | 90 | null | 90 | null | 1,074 | 0.5 | 298 | null | null | null | null | null | null | null | Chemical synthesis | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C9 H12 N2 O4 S - | - C9 H12 N2 O4 S2 - | - C36 H48 N8 O16 S8 - | 4 | 1 | NA1093 | Ayala, D. J.; Bombieri, G.; Perosino, T.; Stradi, R. | 3-(5-Oxo-<small>L</small>-prolyl)-<small>L</small>-thiazolidine-4-carboxylic Acid | Acta Crystallographica Section C | 1,995 | 51 | 3 | 473 | 475 | 10.1107/S0108270194008280 | 0.71069 | MoKα | null | 0.0367 | null | null | 0.0409 | null | null | null | null | 0.85 | 0.85 | null | null | null | has coordinates | Ayala, D. J.; Bombieri, G.; Perosino, T.; Stradi, R.
3-(5-Oxo-<small>L</small>-prolyl)-<small>L</small>-thiazolidine-4-carboxylic Acid
Acta Crystallographica Section C
51(3)
(1995)
473-475 | 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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2,003,286 | 17.144 | 0.001 | 11.45 | 0.003 | 10.179 | 0.002 | 90 | null | 90.757 | 0.008 | 90 | null | 1,998 | 0.7 | 293 | null | 293 | null | null | null | null | null | Janssen Research Foundation, Belgium | 5 | P 1 21/c 1 | -P 2ybc | 14 | 3-{2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl}-2-methyl- 4H-pyrido[1,2-a]pyrimidine-4-one | - C23 H24 F N3 O2 - | - C23 H24 F N3 O2 - | - C92 H96 F4 N12 O8 - | 4 | 1 | NA1112 | Blaton, N. M.; Peeters, O. M.; De Ranter, C. J. | 3-{2-[4-(4-Fluorobenzoyl)piperidino]ethyl}-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one (Pirenperone) | Acta Crystallographica Section C | 1,995 | 51 | 3 | 533 | 535 | 10.1107/S0108270194008176 | 1.54184 | CuKα | 0.1846 | 0.0748 | null | 0.2297 | 0.1648 | null | null | null | 1.13 | 1.44 | 1.44 | null | null | null | has coordinates | Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.
3-{2-[4-(4-Fluorobenzoyl)piperidino]ethyl}-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one (Pirenperone)
Acta Crystallographica Section C
51(3)
(1995)
533-535 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,287 | 7.898 | 0.001 | 26.463 | 0.004 | 14.099 | 0.002 | 90 | null | 99.69 | 0.02 | 90 | null | 2,904.7 | 0.7 | 289 | 2 | 289 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1-(1-pyrenyl)-3-(4-(dimethylamino)phenyl)hexamethyltrisilane | - C30 H37 N Si3 - | - C30 H37 N Si3 - | - C120 H148 N4 Si12 - | 4 | 1 | NA1121 | Van Meervelt, L. | 1-[4-(Dimethylamino)phenyl]-3-(1-pyrenyl)hexamethyltrisilane | Acta Crystallographica Section C | 1,995 | 51 | 3 | 543 | 544 | 10.1107/S0108270194010413 | 1.54178 | CuKα | 0.123 | 0.064 | null | 0.1746 | 0.148 | null | null | null | 1.058 | 1.191 | 1.191 | null | null | null | has coordinates | Van Meervelt, L.
1-[4-(Dimethylamino)phenyl]-3-(1-pyrenyl)hexamethyltrisilane
Acta Crystallographica Section C
51(3)
(1995)
543-544 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,288 | 14.539 | 0.003 | 5.492 | 0.002 | 23.452 | 0.002 | 90 | null | 98.12 | 0.01 | 90 | null | 1,853.8 | 0.8 | 296 | null | null | null | null | null | null | null | synthesis | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H28 O S2 - | - C18 H28 O S2 - | - C72 H112 O4 S8 - | 4 | 1 | OH1059 | Miyake, M.; Haramoto, Y. | 2-(<i>p</i>-Ethoxyphenyl)-5-hexyl-1,3-dithiane, C~18~H~28~OS~2~ | Acta Crystallographica Section C | 1,995 | 51 | 3 | 475 | 477 | 10.1107/S0108270194007584 | 0.71069 | MoKα | null | 0.044 | null | null | 0.047 | null | null | null | null | 1.3 | 1.3 | null | null | null | has coordinates | Miyake, M.; Haramoto, Y.
2-(<i>p</i>-Ethoxyphenyl)-5-hexyl-1,3-dithiane, C~18~H~28~OS~2~
Acta Crystallographica Section C
51(3)
(1995)
475-477 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,289 | 7.342 | 0.002 | 4.702 | 0.002 | 23.131 | 0.006 | 90 | null | 101.83 | 0.01 | 90 | null | 781.6 | 0.4 | 294 | 1 | null | null | null | null | null | null | Slow evaporation of an ethanolic solution | 4 | C 1 2/c 1 | -C 2yc | 15 | - C4 H10 Hg S2 - | - C4 H10 Hg S2 - | - C16 H40 Hg4 S8 - | 4 | 0.5 | OH1066 | Fraser, K. A.; Clegg, W.; Craig, D. C.; Scudder, M. L.; Dance, I. G. | New Crystal Data for [Hg(SC~2~H~5~)~2~] | Acta Crystallographica Section C | 1,995 | 51 | 3 | 406 | 408 | 10.1107/S0108270194009510 | 0.7107 | MoKα | null | 0.017 | null | null | 0.031 | null | null | null | null | 1.22 | 1.22 | null | null | null | has coordinates | Fraser, K. A.; Clegg, W.; Craig, D. C.; Scudder, M. L.; Dance, I. G.
New Crystal Data for [Hg(SC~2~H~5~)~2~]
Acta Crystallographica Section C
51(3)
(1995)
406-408 | 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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2,003,290 | 10.43 | 0.007 | 11.728 | 0.007 | 12.268 | 0.009 | 108.31 | 0.05 | 98.34 | 0.05 | 115.66 | 0.05 | 1,212.9 | 1.7 | 293 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C12 H16 N2 O2 - | - C12 H13.5 N2 O2 - | - C48 H54 N8 O8 - | 4 | 2 | PA1096 | Suchod, B.; Baldeck, P. | <i>N</i>,<i>N</i>-Diethyl-4-(2-nitroethenyl)phenylamine (DEANST), C~12~H~6~N~2~O~2~ | Acta Crystallographica Section C | 1,995 | 51 | 3 | 432 | 434 | 10.1107/S0108270194005998 | 0.7107 | MoKα | null | 0.089 | null | null | 0.079 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Suchod, B.; Baldeck, P.
<i>N</i>,<i>N</i>-Diethyl-4-(2-nitroethenyl)phenylamine (DEANST), C~12~H~6~N~2~O~2~
Acta Crystallographica Section C
51(3)
(1995)
432-434 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,291 | 7.84 | 0.01 | 18.4 | 0.02 | 7.65 | 0.03 | 99.35 | 0.02 | 114.48 | 0.03 | 80.64 | 0.02 | 985 | 4 | 293 | null | null | null | null | null | null | null | evaporation of a saturated 50/50% H~2~O/ethanol solution | 5 | P -1 | -P 1 | 2 | - C21 H28 Cl N2 O2 - | - C21 H24 Cl N2 O2 - | - C42 H48 Cl2 N4 O4 - | 2 | 1 | PA1108 | Brouant, P.; Giorgi, M. | 9-(4-Methyl-1-piperazinyl)-9,10-dihydro-9,10-ethanoanthracene Hydrochloride Dihydrate (Trazitilin) | Acta Crystallographica Section C | 1,995 | 51 | 3 | 434 | 436 | 10.1107/S0108270194007274 | 0.71073 | MoKα | null | 0.051 | null | null | 0.054 | null | null | null | null | 0.854 | 0.854 | null | null | null | has coordinates | Brouant, P.; Giorgi, M.
9-(4-Methyl-1-piperazinyl)-9,10-dihydro-9,10-ethanoanthracene Hydrochloride Dihydrate (Trazitilin)
Acta Crystallographica Section C
51(3)
(1995)
434-436 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,292 | 8.323 | 0.004 | 10.569 | 0.005 | 17.022 | 0.01 | 90 | null | 100.15 | 0.02 | 90 | null | 1,473.9 | 1.3 | 293 | null | 293 | null | null | null | null | null | chemical synthesis | 4 | P 1 21 1 | P 2yb | 4 | Baccatin III derivative | - C26 H44 O8 Si - | - C26 H44 O8 Si - | - C52 H88 O16 Si2 - | 2 | 1 | PA1126 | Chiaroni, A.; Guénard, D.; Guéritte-Voegelein, F.; Khuong-Huu, F.; Py, S.; Riche, C.; Wahl, A. | A Baccatin III Derivative | Acta Crystallographica Section C | 1,995 | 51 | 3 | 465 | 468 | 10.1107/S0108270194007341 | 1.5418 | CuKα | null | 0.105 | null | null | 0.145 | null | null | null | null | 1.25 | 1.25 | null | null | null | has coordinates | Chiaroni, A.; Guénard, D.; Guéritte-Voegelein, F.; Khuong-Huu, F.; Py, S.; Riche, C.; Wahl, A.
A Baccatin III Derivative
Acta Crystallographica Section C
51(3)
(1995)
465-468 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,293 | 10.579 | 0.002 | 11.618 | 0.002 | 11.886 | 0.003 | 90 | null | 110.293 | 0.008 | 90 | null | 1,370.2 | 0.5 | 298 | null | 298 | null | null | null | null | null | from diethyl ether/pentane (1:1) solution | 4 | P 1 21/c 1 | -P 2ybc | 14 | (2RS,1'SR)-4,4-Dimethyl-1-hydroxy-2-[1'-phenethyl]pyrrolidine | - C14 H21 N O - | - C14 H21 N O - | - C56 H84 N4 O4 - | 4 | 1 | PA1132 | Bernardinelli, G.; Oppolzer, W.; Spivey, A. C. | (2<i>RS</i>)-4,4-Dimethyl-2-[(1<i>SR</i>)-1-phenylethyl]-1-pyrrolidinol | Acta Crystallographica Section C | 1,995 | 51 | 3 | 529 | 530 | 10.1107/S0108270194009686 | 0.7093 | MoKα | 0.162 | 0.071 | null | 0.047 | 0.044 | null | null | null | 2.107 | 2.89 | 2.89 | null | null | null | has coordinates | Bernardinelli, G.; Oppolzer, W.; Spivey, A. C.
(2<i>RS</i>)-4,4-Dimethyl-2-[(1<i>SR</i>)-1-phenylethyl]-1-pyrrolidinol
Acta Crystallographica Section C
51(3)
(1995)
529-530 | 191,030 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,294 | 33.657 | 0.003 | 5.1305 | 0.0003 | 16.0816 | 0.001 | 90 | null | 92.368 | 0.008 | 90 | null | 2,774.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | Therabel Research, Bruxelles | 5 | C 1 2/c 1 | -C 2yc | 15 | Nimesulide | 4-nitro-2-phenoxymethanesulfonanilide | - C13 H12 N2 O5 S - | - C13 H12 N2 O5 S - | - C104 H96 N16 O40 S8 - | 8 | 1 | PA1137 | Dupont, L.; Pirotte, B.; Masereel, B.; Delarge, J.; Geczy, J. | Nimesulide | Acta Crystallographica Section C | 1,995 | 51 | 3 | 507 | 509 | 10.1107/S0108270194010334 | 1.5418 | CuKα | 0.0638 | 0.0401 | null | 0.1325 | 0.1146 | null | null | null | 1.088 | 1.248 | 1.248 | null | null | null | has coordinates | Dupont, L.; Pirotte, B.; Masereel, B.; Delarge, J.; Geczy, J.
Nimesulide
Acta Crystallographica Section C
51(3)
(1995)
507-509 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,295 | 11.7356 | 0.001 | 13.5707 | 0.0014 | 12.4426 | 0.0011 | 90 | null | 110.975 | 0.008 | 90 | null | 1,850.3 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | Laboratory of Medicinal Chemistry, Univ. of Liege | 5 | P 1 21/n 1 | -P 2yn | 14 | N-Cyano-N'-Isopropyl-N"-((4-(3'-Methylphenylamino)Pyrid-3-yl)Sulfonyl) Guanidine | - C17 H20 N6 O2 S - | - C17 H20 N6 O2 S - | - C68 H80 N24 O8 S4 - | 4 | 1 | PA1139 | Dupont, L.; Masereel, B.; de Tullio, P.; Pirotte, B.; Delarge, J. | <i>N</i>^2^-Cyano-<i>N</i>^1^-isopropyl-<i>N</i>^3^-[4-(3-methylphenylamino)-3-pyridylsulfonyl]guanidine | Acta Crystallographica Section C | 1,995 | 51 | 3 | 505 | 507 | 10.1107/S0108270194010346 | 1.5418 | CuKα | 0.0565 | 0.0387 | null | 0.1129 | 0.106 | null | null | null | 0.983 | 1.099 | 1.099 | null | null | null | has coordinates,has Fobs | Dupont, L.; Masereel, B.; de Tullio, P.; Pirotte, B.; Delarge, J.
<i>N</i>^2^-Cyano-<i>N</i>^1^-isopropyl-<i>N</i>^3^-[4-(3-methylphenylamino)-3-pyridylsulfonyl]guanidine
Acta Crystallographica Section C
51(3)
(1995)
505-507 | 301,791 | 2025-08-18 | 23:15:23 | #------------------------------------------------------------------------------
#$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/2/00/32/2003295.cif $
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