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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,008,651 | 9.656 | 0.001 | 5.592 | 0.001 | 15.788 | 0.001 | 90 | null | 102.68 | 0.01 | 90 | null | 831.7 | 0.18 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | 1,2:3,4:5,6-Tri-O-isopropylidene-D-manitol | - C15 H26 O6 - | - C15 H26 O6 - | - C30 H52 O12 - | 2 | 1 | BK1441 | Ping Liu; Ting-Bin Wen; Jian-Kai Cheng | 1,2:3,4:5,6-Tri-<i>O</i>-isopropylidene-<small>D</small>-mannitol | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1179 | 1181 | 10.1107/S0108270199002759 | 0.71073 | MoKα | 0.044 | 0.04 | null | 0.099 | 0.098 | null | null | null | 1.058 | 1.091 | 1.091 | null | null | null | has coordinates | Ping Liu; Ting-Bin Wen; Jian-Kai Cheng
1,2:3,4:5,6-Tri-<i>O</i>-isopropylidene-<small>D</small>-mannitol
Acta Crystallographica Section C
55(7)
(1999)
1179-1181 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,321,943 | 12.399 | 0.001 | 13.187 | 0.001 | 13.496 | 0.001 | 83.712 | 0.008 | 66.575 | 0.008 | 63.223 | 0.009 | 1,801.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C12 H10 K6 N12 O5 Te4 W4 - | - C12 K6 N12 O5 Te4 W4 - | - C24 K12 N24 O10 Te8 W8 - | 2 | 1 | V. P. Fedin; I. V. Kalinina; D. G. Samsonenko; Y. V. Mironov; M. N. Sokolov; S. V. Tkachev; A. V. Virovets; N. V. Podberezskaya; M. R. J. Elsegood; W. Clegg; A. G. Sykes | Synthesis, Structure, and Properties of Molybdenum and Tungsten Cyano Complexes with Cuboidal M4(μ3-E4) (M = Mo, W; E = S, Se, Te) Cores | Inorganic Chemistry | 1,999 | 38 | 1956 | 1965 | 10.1021/ic980956z | 0.71069 | MoKα | 0.0796 | 0.0696 | null | null | 0.2151 | 0.2213 | null | null | null | null | null | 1.143 | null | null | has coordinates | V. P. Fedin; I. V. Kalinina; D. G. Samsonenko; Y. V. Mironov; M. N. Sokolov; S. V. Tkachev; A. V. Virovets; N. V. Podberezskaya; M. R. J. Elsegood; W. Clegg; A. G. Sykes
Synthesis, Structure, and Properties of Molybdenum and Tungsten Cyano Complexes with Cuboidal M4(μ3-E4) (M = Mo, W; E = S, Se, Te) Cores
Inorganic Che... | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,652 | 8.0857 | 0.0009 | 8.5118 | 0.0005 | 10.4161 | 0.0007 | 88.788 | 0.007 | 73.155 | 0.008 | 77.352 | 0.007 | 668.78 | 0.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2-(4-carboxyl-2,6-dichlorophenylimino)imidazolidine dihydrate | - C10 H13 Cl2 N3 O4 - | - C10 H13 Cl2 N3 O4 - | - C20 H26 Cl4 N6 O8 - | 2 | 1 | BK1445 | E.M.Elssfah; K.Chinnakali; H.K.Fun; I.W.Mathison; E.K.Gan; M.Zubaid; T.W.Sam; C.Y.Tan | 3,5-Dichloro-4-(imidazolidin-2-ylideneammonio)benzoate dihydrate | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1115 | 1117 | 10.1107/S0108270199003832 | 0.71073 | MoKα | 0.053 | 0.0383 | null | 0.1104 | 0.1049 | null | null | null | 1.045 | 1.162 | 1.162 | null | null | null | has coordinates | E.M.Elssfah; K.Chinnakali; H.K.Fun; I.W.Mathison; E.K.Gan; M.Zubaid; T.W.Sam; C.Y.Tan
3,5-Dichloro-4-(imidazolidin-2-ylideneammonio)benzoate dihydrate
Acta Crystallographica Section C
55(7)
(1999)
1115-1117 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,653 | 7.5453 | 0.0003 | 12.0114 | 0.0005 | 13.5984 | 0.0005 | 109.342 | 0.001 | 99.98 | 0.001 | 98.593 | 0.001 | 1,116.54 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C11 H11 N3 O S - | - C11 H11 N3 O S - | - C44 H44 N12 O4 S4 - | 4 | 2 | BK1448 | Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun | 3-Cyclopropyl-1,2,4-triazolo[3,4-<i>b</i>]benzothiazole monohydrate | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1119 | 1121 | 10.1107/S0108270199004448 | 0.71073 | MoKα | 0.0421 | 0.0362 | null | null | null | 0.1032 | null | null | null | null | null | 1.052 | null | null | has coordinates | Puviarasan, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Jayanthi, G.; Hoong-Kun Fun
3-Cyclopropyl-1,2,4-triazolo[3,4-<i>b</i>]benzothiazole monohydrate
Acta Crystallographica Section C
55(7)
(1999)
1119-1121 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,654 | 17.1543 | 0.0008 | 10.7312 | 0.0005 | 20.6138 | 0.001 | 90 | null | 101.618 | 0.001 | 90 | null | 3,717 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C46 H45 Cl P2 Ru - | - C46 H45 Cl P2 Ru - | - C184 H180 Cl4 P8 Ru4 - | 4 | 1 | BK1451 | Ilia A. Guzei; M. Angeles Paz-Sandoval; Román Torres-Lubian; Patricia Juarez-Saavedra | Chloro(pentamethyl-η^5^-cyclopentadienyl)bis(triphenylphosphine)ruthenium(II) | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1090 | 1092 | 10.1107/S010827019900253X | 0.71073 | MoKα | 0.0485 | 0.0301 | null | null | null | 0.0649 | null | null | null | null | null | 1.038 | null | null | has coordinates | Ilia A. Guzei; M. Angeles Paz-Sandoval; Román Torres-Lubian; Patricia Juarez-Saavedra
Chloro(pentamethyl-η^5^-cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)
Acta Crystallographica Section C
55(7)
(1999)
1090-1092 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,008,655 | 5.275 | 0.003 | 9.747 | 0.004 | 11.451 | 0.005 | 96.44 | 0.03 | 84.11 | 0.03 | 78.88 | 0.04 | 569.4 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | aziridinyl | Bis(2,2-dimethylaziridinyl)phosphinic amide | - C8 H18 N3 O P - | - C8 H18 N3 O P - | - C16 H36 N6 O2 P2 - | 2 | 1 | BK1457 | Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur | Bis(2,2-dimethylaziridinyl)phosphinic amide | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1173 | 1175 | 10.1107/S0108270199003248 | 1.54178 | CuKα | 0.045 | 0.042 | null | null | null | 0.116 | null | null | null | null | null | 1.08 | null | null | has coordinates,has Fobs | Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur
Bis(2,2-dimethylaziridinyl)phosphinic amide
Acta Crystallographica Section C
55(7)
(1999)
1173-1175 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,656 | 18.409 | 0.002 | 7.2898 | 0.0006 | 5.6649 | 0.0004 | 90 | null | 94.96 | 0.01 | 90 | null | 757.37 | 0.12 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 4-(1H-1,2,4-triazol-1-yl)phenol | - C8 H7 N3 O - | - C8 H7 N3 O - | - C32 H28 N12 O4 - | 4 | 1 | BM1323 | Foces-Foces, C.; Cabildo, P.; Claramunt, R. M.; Elguero, J. | 4-(1<i>H</i>-1,2,4-Triazol-1-yl)phenol | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1160 | 1163 | 10.1107/S0108270199003558 | 1.5418 | CuKα | 0.061 | 0.051 | null | 0.044 | 0.039 | null | null | null | 0.903 | 0.895 | 0.895 | null | null | null | has coordinates,has Fobs | Foces-Foces, C.; Cabildo, P.; Claramunt, R. M.; Elguero, J.
4-(1<i>H</i>-1,2,4-Triazol-1-yl)phenol
Acta Crystallographica Section C
55(7)
(1999)
1160-1163 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,657 | 8.41 | 0.002 | 11.116 | 0.002 | 12.122 | 0.002 | 95.24 | 0.03 | 108.29 | 0.03 | 93.24 | 0.03 | 1,067.1 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Tetrakis(μ-phenylacetato-O:O')bis[(quinoline-N)cobalt(II)] | - C50 H42 Co2 N2 O8 - | - C50 H42 Co2 N2 O8 - | - C50 H42 Co2 N2 O8 - | 1 | 0.5 | BM1324 | Yong Cui; Fakun Zheng; Jinshun Huang | Tetrakis(μ-phenylacetato-<i>O</i>:<i>O</i>')bis[(quinoline-<i>N</i>)cobalt(II)] | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1067 | 1069 | 10.1107/S0108270199004321 | 0.71073 | MoKα | 0.056 | 0.047 | null | 0.12 | null | 0.116 | null | null | 1.041 | null | null | 1.084 | null | null | has coordinates | Yong Cui; Fakun Zheng; Jinshun Huang
Tetrakis(μ-phenylacetato-<i>O</i>:<i>O</i>')bis[(quinoline-<i>N</i>)cobalt(II)]
Acta Crystallographica Section C
55(7)
(1999)
1067-1069 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,008,658 | 20.412 | 0.003 | 20.412 | 0.003 | 10.482 | 0.002 | 90 | null | 90 | null | 90 | null | 4,367.3 | 1.2 | 120 | null | 120 | null | null | null | null | null | 5 | P 42/n :2 | -P 4bc | 86 | {μ-2,6-Bis(N-tert-butyliminomethylene)pyridine}rhodium(I) phenoxide | - C21 H28 N3 O Rh - | - C21 H28 N3 O Rh - | - C168 H224 N24 O8 Rh8 - | 8 | 1 | BM1325 | Kooijman, Huub; Kaagman, Jan Willem; Mach, Karel; Spek, Anthony L.; Schreurs, Antoine M.M.; Haarman, Hendrikus F.; Vrieze, Kees; Elsevier, Cornelis J. | [2,6-Bis(<i>N</i>-<i>tert</i>-butyliminomethyl)pyridine-κ^3^<i>N</i>](phenolato-κ<i>O</i>)rhodium(I) | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1052 | 1054 | 10.1107/S0108270199003868 | 0.71073 | MoKα | 0.06 | 0.057 | null | null | null | 0.123 | null | null | null | null | null | 1.454 | null | null | has coordinates | Kooijman, Huub; Kaagman, Jan Willem; Mach, Karel; Spek, Anthony L.; Schreurs, Antoine M.M.; Haarman, Hendrikus F.; Vrieze, Kees; Elsevier, Cornelis J.
[2,6-Bis(<i>N</i>-<i>tert</i>-butyliminomethyl)pyridine-κ^3^<i>N</i>](phenolato-κ<i>O</i>)rhodium(I)
Acta Crystallographica Section C
55(7)
(1999)
1052-1054 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,321,942 | 14.175 | 0.001 | 21.298 | 0.002 | 13.725 | 0.002 | 90 | null | 90 | null | 90 | null | 4,143.6 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | C m m a | -C 2a 2 | 67 | - C12 H12 K6 N12 O6 Se4 W4 - | - C12 K6.0002 N12 O6 Se4 W4 - | - C48 K24.0008 N48 O24 Se16 W16 - | 4 | 0.25 | V. P. Fedin; I. V. Kalinina; D. G. Samsonenko; Y. V. Mironov; M. N. Sokolov; S. V. Tkachev; A. V. Virovets; N. V. Podberezskaya; M. R. J. Elsegood; W. Clegg; A. G. Sykes | Synthesis, Structure, and Properties of Molybdenum and Tungsten Cyano Complexes with Cuboidal M4(μ3-E4) (M = Mo, W; E = S, Se, Te) Cores | Inorganic Chemistry | 1,999 | 38 | 1956 | 1965 | 10.1021/ic980956z | 0.71069 | MoKα | 0.1056 | 0.0473 | null | null | 0.1332 | 0.1558 | null | null | null | null | null | 0.917 | null | null | has coordinates | V. P. Fedin; I. V. Kalinina; D. G. Samsonenko; Y. V. Mironov; M. N. Sokolov; S. V. Tkachev; A. V. Virovets; N. V. Podberezskaya; M. R. J. Elsegood; W. Clegg; A. G. Sykes
Synthesis, Structure, and Properties of Molybdenum and Tungsten Cyano Complexes with Cuboidal M4(μ3-E4) (M = Mo, W; E = S, Se, Te) Cores
Inorganic Che... | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,659 | 10.581 | 0.001 | 10.089 | 0.001 | 5.8151 | 0.0008 | 90 | null | 103.894 | 0.002 | 90 | null | 602.61 | 0.12 | 296 | null | 296 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | null | - K Na O6 V2 - | - K Na O6 V2 - | - K4 Na4 O24 V8 - | 4 | 0.5 | BR1213 | Yongkui Shan; Songping D. Huang | A potassium sodium double salt of metavanadate, KNa(VO~3~)~2~ | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1048 | 1050 | 10.1107/S0108270198017995 | 0.7107 | MoKα | 0.035 | 0.025 | null | 0.044 | null | 0.037 | null | null | 0.87 | null | null | 0.831 | null | null | has coordinates | Yongkui Shan; Songping D. Huang
A potassium sodium double salt of metavanadate, KNa(VO~3~)~2~
Acta Crystallographica Section C
55(7)
(1999)
1048-1050 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,008,660 | 17.749 | 0.003 | 9.021 | 0.003 | 9.059 | 0.002 | 90 | null | 90 | null | 90 | null | 1,450.5 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 2 | C m c a | -C 2ac 2 | 64 | pentabarium tetraantimonide | - Ba5 Sb4 - | - Ba5 Sb4 - | - Ba20 Sb16 - | 4 | null | BR1235 | Derrien, Gaelle; Monconduit, Laure; Tillard, Monique; Belin, Claude | Pentabarium tetraantimonide, β-Ba~5~Sb~4~: a more symmetrical arrangement for the Ba~5~Sb~4~ compound | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1044 | 1046 | 10.1107/S0108270199003984 | 0.71069 | MoKα | 0.111 | 0.043 | null | null | null | 0.102 | null | null | null | null | null | 0.926 | null | null | has coordinates | Derrien, Gaelle; Monconduit, Laure; Tillard, Monique; Belin, Claude
Pentabarium tetraantimonide, β-Ba~5~Sb~4~: a more symmetrical arrangement for the Ba~5~Sb~4~ compound
Acta Crystallographica Section C
55(7)
(1999)
1044-1046 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,661 | 9.684 | 0.003 | 9.479 | 0.003 | 8.156 | 0.003 | 90 | null | 95.33 | 0.02 | 90 | null | 745.4 | 0.4 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride | - C12 H26 Cl2 N4 - | - C12 H26 Cl2 N4 - | - C24 H52 Cl4 N8 - | 2 | 0.5 | BR1236 | Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Tafeenko, Victor A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik | 3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride from X-ray powder data | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1099 | 1101 | 10.1107/S0108270199004138 | 1.54059 | CuKα~1~ | null | null | null | null | null | null | null | null | 2.33 | null | null | null | null | null | has coordinates | Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Tafeenko, Victor A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik
3,12-Diaza-6,9-diazoniadispiro[5.2.5.2]hexadecane dichloride from X-ray powder data
Acta Crystallographica Section C
55(7)
(1999)
1099-1101 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,662 | 9.198 | 0.001 | 10.559 | 0.001 | 10.593 | 0.001 | 68.94 | 0.01 | 79.01 | 0.01 | 67.41 | 0.01 | 884.8 | 0.2 | 200 | 2 | 200 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C19 H26 N2 O2 - | - C19 H26 N2 O2 - | - C38 H52 N4 O4 - | 2 | 1 | Sievert, Mark; Nagel, Norbert; Bock, Hans; Dienelt, Rüdiger | Diisopropylammonium diphenylmethylnitronate at 200 K | Acta Crystallographica Section C | 1,999 | 55 | 1149 | 1152 | null | null | 0.0448 | null | null | 0.0965 | null | null | null | null | null | null | null | null | null | has coordinates | Sievert, Mark; Nagel, Norbert; Bock, Hans; Dienelt, Rüdiger
Diisopropylammonium diphenylmethylnitronate at 200 K
Acta Crystallographica Section C
55
(1999)
1149-1152 | 31,976 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,663 | 7.2665 | 0.0003 | 10.9212 | 0.0004 | 13.2862 | 0.0004 | 90 | null | 96.477 | 0.001 | 90 | null | 1,047.65 | 0.07 | 297 | 2 | 297 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | (2-hydroxyethyl)diisopropylammonium chloride | - C8 H20 Cl N O - | - C8 H20 Cl N O - | - C32 H80 Cl4 N4 O4 - | 4 | 1 | DE1104 | Mahmoudkhani, Amir Hossein; Langer, Vratislav | (2-Hydroxyethyl)diisopropylammonium chloride and its derivatives | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1163 | 1167 | 10.1107/S010827019900356X | 0.71073 | MoKα | 0.078 | 0.047 | null | null | null | 0.124 | null | null | null | null | null | 1.031 | null | null | has coordinates | Mahmoudkhani, Amir Hossein; Langer, Vratislav
(2-Hydroxyethyl)diisopropylammonium chloride and its derivatives
Acta Crystallographica Section C
55(7)
(1999)
1163-1167 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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4,321,941 | 18.116 | 0.004 | 10.335 | 0.003 | 19.414 | 0.005 | 90 | null | 95.568 | 0.007 | 90 | null | 3,617.7 | 1.6 | 173 | 2 | 173 | 2 | null | null | null | null | 8 | P 1 21/c 1 | -P 2ybc | 14 | - C13 H8 Cs5 K N12 O3 S4 W4 - | - C13 Cs5 K N12 O3 S4 W4 - | - C52 Cs20 K4 N48 O12 S16 W16 - | 4 | 1 | V. P. Fedin; I. V. Kalinina; D. G. Samsonenko; Y. V. Mironov; M. N. Sokolov; S. V. Tkachev; A. V. Virovets; N. V. Podberezskaya; M. R. J. Elsegood; W. Clegg; A. G. Sykes | Synthesis, Structure, and Properties of Molybdenum and Tungsten Cyano Complexes with Cuboidal M4(μ3-E4) (M = Mo, W; E = S, Se, Te) Cores | Inorganic Chemistry | 1,999 | 38 | 1956 | 1965 | 10.1021/ic980956z | 0.71073 | MoKα | 0.074 | 0.0451 | null | null | 0.089 | 0.0951 | null | null | null | null | null | 0.99 | null | null | has coordinates | V. P. Fedin; I. V. Kalinina; D. G. Samsonenko; Y. V. Mironov; M. N. Sokolov; S. V. Tkachev; A. V. Virovets; N. V. Podberezskaya; M. R. J. Elsegood; W. Clegg; A. G. Sykes
Synthesis, Structure, and Properties of Molybdenum and Tungsten Cyano Complexes with Cuboidal M4(μ3-E4) (M = Mo, W; E = S, Se, Te) Cores
Inorganic Che... | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,664 | 8.9772 | 0.0002 | 8.069 | 0.0001 | 15.3032 | 0.0002 | 90 | null | 95.937 | 0.001 | 90 | null | 1,102.57 | 0.03 | 297 | 2 | 297 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | (2-chloroethyl)diisopropylammonium chloride | - C8 H19 Cl2 N - | - C8 H19 Cl2 N - | - C32 H76 Cl8 N4 - | 4 | 1 | DE1104 | Mahmoudkhani, Amir Hossein; Langer, Vratislav | (2-Hydroxyethyl)diisopropylammonium chloride and its derivatives | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1163 | 1167 | 10.1107/S010827019900356X | 0.71073 | MoKα | 0.043 | 0.03 | null | null | null | 0.08 | null | null | null | null | null | 1.062 | null | null | has coordinates | Mahmoudkhani, Amir Hossein; Langer, Vratislav
(2-Hydroxyethyl)diisopropylammonium chloride and its derivatives
Acta Crystallographica Section C
55(7)
(1999)
1163-1167 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,665 | 25.091 | 0.0006 | 6.7447 | 0.0002 | 13.3049 | 0.0002 | 90 | null | 90 | null | 90 | null | 2,251.61 | 0.09 | 297 | 2 | 297 | 2 | null | null | null | null | 5 | P c a 21 | P 2c -2ac | 29 | diisopropyl(2-mercaptoethyl)ammonium chloride | - C8 H20 Cl N S - | - C8 H20 Cl N S - | - C64 H160 Cl8 N8 S8 - | 8 | 2 | DE1104 | Mahmoudkhani, Amir Hossein; Langer, Vratislav | (2-Hydroxyethyl)diisopropylammonium chloride and its derivatives | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1163 | 1167 | 10.1107/S010827019900356X | 0.71073 | MoKα | 0.039 | 0.032 | null | null | null | 0.079 | null | null | null | null | null | 1.09 | null | null | has coordinates | Mahmoudkhani, Amir Hossein; Langer, Vratislav
(2-Hydroxyethyl)diisopropylammonium chloride and its derivatives
Acta Crystallographica Section C
55(7)
(1999)
1163-1167 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,666 | 10.003 | 0.001 | 14.744 | 0.001 | 17.242 | 0.002 | 90 | null | 92.14 | 0.01 | 90 | null | 2,541.1 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Diaquabis(2,2'-bipyridine)nickel (II) Diperchlorate | - C20 H20 Cl2 N4 Ni O10 - | - C20 H20 Cl2 N4 Ni O10 - | - C80 H80 Cl8 N16 Ni4 O40 - | 4 | 1 | FG1527 | Rodríguez-Martín, Yolanda; González-Platas, Javier; Ruiz-Pérez, Catalina | Diaquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')nickel(II) diperchlorate | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1087 | 1090 | 10.1107/S0108270199003881 | 0.71073 | MoKα | 0.085 | 0.045 | null | null | null | 0.143 | null | null | null | null | null | 1.012 | null | null | has coordinates,has Fobs | Rodríguez-Martín, Yolanda; González-Platas, Javier; Ruiz-Pérez, Catalina
Diaquabis(2,2'-bipyridine-<i>N</i>,<i>N</i>')nickel(II) diperchlorate
Acta Crystallographica Section C
55(7)
(1999)
1087-1090 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,667 | 9.573 | 0.001 | 10.19 | 0.001 | 19.213 | 0.002 | 90 | null | 90.32 | 0.01 | 90 | null | 1,874.2 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | (5,6-Dimethyl-1,10-phenanthroline-N,N')(nitrato-O)(salicylaldehydato-O,O) copper(II) | - C21 H17 Cu N3 O5 - | - C21 H17 Cu N3 O5 - | - C84 H68 Cu4 N12 O20 - | 4 | 1 | FR1120 | Gasque, Laura; Moreno-Esparza, Rafael; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo | (5,6-Dimethyl-1,10-phenanthroline)(nitrato)(salicylaldehydato)copper(II) | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1063 | 1065 | 10.1107/S0108270199001018 | 0.71073 | MoKα | 0.083 | 0.045 | null | null | 0.103 | 0.118 | null | null | null | null | null | 1.056 | null | null | has coordinates | Gasque, Laura; Moreno-Esparza, Rafael; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo
(5,6-Dimethyl-1,10-phenanthroline)(nitrato)(salicylaldehydato)copper(II)
Acta Crystallographica Section C
55(7)
(1999)
1063-1065 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,668 | 10.67 | 0.001 | 11.752 | 0.001 | 12.099 | 0.001 | 83.93 | 0.01 | 72.21 | 0.01 | 74.02 | 0.01 | 1,388.4 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Aqua(4,7-diphenyl-1,10-phenanthroline)(salicylaldehydato)copper(II) nitrate monohydrate | - C31 H25 Cu N3 O7 - | - C31 H25 Cu N3 O7 - | - C62 H50 Cu2 N6 O14 - | 2 | 1 | FR1122 | Gasque, Laura; Moreno-Esparza, Rafael; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo | Aqua(4,7-diphenyl-1,10-phenanthroline)(salicylaldehydato)copper(II) nitrate monohydrate | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1065 | 1067 | 10.1107/S0108270199001572 | 0.71073 | MoKα | 0.078 | 0.051 | null | null | 0.127 | 0.144 | null | null | null | null | null | 1.019 | null | null | has coordinates | Gasque, Laura; Moreno-Esparza, Rafael; Ruiz-Ramírez, Lena; Medina-Dickinson, Gerardo
Aqua(4,7-diphenyl-1,10-phenanthroline)(salicylaldehydato)copper(II) nitrate monohydrate
Acta Crystallographica Section C
55(7)
(1999)
1065-1067 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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4,321,940 | 12.481 | 0.003 | 16.848 | 0.004 | 21.204 | 0.005 | 90 | null | 92.05 | 0.02 | 90 | null | 4,455.9 | 1.8 | 294 | 2 | 294 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C44 H50 N2 Pt Sn2 Te2 - | - C44 H50 N2 Pt Sn2 Te2 - | - C176 H200 N8 Pt4 Sn8 Te8 - | 4 | 1 | Michael C. Janzen; Hilary A. Jenkins; Louis M. Rendina; Jagadese J. Vittal; Richard J. Puddephatt | Synthesis of Metallacycles by Oxidative Addition of Sn-S, Sn-Se, Sn-Te, and Ge-Te Containing Precursors to Platinum(II) | Inorganic Chemistry | 1,999 | 38 | 2123 | 2130 | 10.1021/ic980862p | 0.71073 | MoKα | 0.0846 | 0.0599 | null | 0.1721 | 0.1556 | null | null | null | 1.066 | 1.131 | 1.131 | null | null | null | has coordinates | Michael C. Janzen; Hilary A. Jenkins; Louis M. Rendina; Jagadese J. Vittal; Richard J. Puddephatt
Synthesis of Metallacycles by Oxidative Addition of Sn-S, Sn-Se, Sn-Te, and Ge-Te Containing Precursors to Platinum(II)
Inorganic Chemistry
38
(1999)
2123-2130 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,669 | 17.432 | 0.004 | 17.339 | 0.004 | 11.538 | 0.004 | 90 | null | 124.49 | 0.02 | 90 | null | 2,874.4 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 1,4-bis(2'-formylphenyl)-1,4-dioxabutane bisthiosemicarbazone | 2,2'-ethylenedioxydibenzaldehyde bis(thiosemicarbazone) bis(dimethyl sulfoxide) | - C22 H32 N6 O4 S4 - | - C22 H32 N6 O4 S4 - | - C88 H128 N24 O16 S16 - | 4 | 0.5 | FR1153 | Xu-Hui Zhu; Xiao-Feng Chen; Yong-Jiang Liu; Cun-Ying Duan; Xiao-Zeng You; Yu-Peng Tian; Fu-Xing Xie | 2,2'-Ethylenedioxydibenzaldehyde bis(thiosemicarbazone) bis(dimethyl sulfoxide) | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1175 | 1176 | 10.1107/S0108270199002334 | 0.71073 | MoKα | 0.056 | 0.04 | null | 0.111 | 0.102 | null | null | null | 1.024 | 1.064 | 1.064 | null | null | null | has coordinates,has disorder,has Fobs | Xu-Hui Zhu; Xiao-Feng Chen; Yong-Jiang Liu; Cun-Ying Duan; Xiao-Zeng You; Yu-Peng Tian; Fu-Xing Xie
2,2'-Ethylenedioxydibenzaldehyde bis(thiosemicarbazone) bis(dimethyl sulfoxide)
Acta Crystallographica Section C
55(7)
(1999)
1175-1176 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,670 | 10.6433 | 0.0012 | 20.6568 | 0.0013 | 8.5187 | 0.0011 | 90 | null | 91.762 | 0.002 | 90 | null | 1,872 | 0.3 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C38 H38 Cd3 N4 O8 - | - C38 H38 Cd3 N4 O8 - | - C76 H76 Cd6 N8 O16 - | 2 | 0.5 | FR1176 | Atakol, Orhan; Aksu, Mecit; Ercan, Filiz; Arici, Cengiz; Tahir, M. Nawaz; Ülkü, Dinçer | A linear trinuclear Cd^II^–Cd^II^–Cd^II^ complex with a μ-acetato bridge: bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]cadmium(II)}cadmium(II) | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1072 | 1075 | 10.1107/S0108270199004333 | 0.71073 | MoKα | null | 0.028 | null | null | 0.037 | null | null | null | null | 0.9 | 0.9 | null | null | null | has coordinates | Atakol, Orhan; Aksu, Mecit; Ercan, Filiz; Arici, Cengiz; Tahir, M. Nawaz; Ülkü, Dinçer
A linear trinuclear Cd^II^–Cd^II^–Cd^II^ complex with a μ-acetato bridge: bis{(μ-acetato)[μ-bis(salicylidene)-1,3-propanediaminato]cadmium(II)}cadmium(II)
Acta Crystallographica Section C
55(7)
(1999)
1072-1075 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,671 | 17.0422 | 0.0003 | 13.5414 | 0.0002 | 13.1573 | 0.0002 | 90 | null | 109.06 | 0.001 | 90 | null | 2,869.92 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1-(4-Benzylpiperidin-1-yl)glyoxal doixime | - C14 H19 N3 O2 - | - C14 H19 N3 O2 - | - C112 H152 N24 O16 - | 8 | 2 | FR1184 | Sema Öztürk; Şamil Işık; Mustafa Macit; Hoong-Kun Fun | 1-(4-Benzylpiperidin-1-yl)glyoxal dioxime | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1132 | 1134 | 10.1107/S0108270199004242 | 0.71073 | MoKα | 0.059 | 0.044 | null | null | null | 0.122 | null | null | null | null | null | 1.028 | null | null | has coordinates | Sema Öztürk; Şamil Işık; Mustafa Macit; Hoong-Kun Fun
1-(4-Benzylpiperidin-1-yl)glyoxal dioxime
Acta Crystallographica Section C
55(7)
(1999)
1132-1134 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,672 | 7.691 | 0.001 | 9.1327 | 0.0008 | 10.982 | 0.001 | 75.815 | 0.008 | 71.109 | 0.008 | 89.304 | 0.01 | 705.67 | 0.14 | 296 | null | 296 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | 2,2'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarboxaldehyde | - C16 H14 O6 - | - C16 H14 O6 - | - C32 H28 O12 - | 2 | 1 | FR1197 | Gerkin, Roger E. | Hydrogen bonding and C—H···O interactions in 2,2'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1176 | 1179 | 10.1107/S010827019900445X | 0.71073 | MoKα | null | 0.047 | null | null | 0.08 | null | null | null | null | 1.98 | 1.98 | null | null | null | has coordinates | Gerkin, Roger E.
Hydrogen bonding and C—H···O interactions in 2,2'-dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde
Acta Crystallographica Section C
55(7)
(1999)
1176-1179 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,673 | 7.547 | 0.002 | 8.035 | 0.001 | 10.24 | 0.001 | 77.78 | 0.01 | 86.62 | 0.01 | 65.46 | 0.01 | 551.77 | 0.18 | 296 | null | 296 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | quinolinium-4-carboxylate trihydrate | - C10 H13 N O5 - | - C10 H13 N O5 - | - C20 H26 N2 O10 - | 2 | 1 | FR1203 | Dobson, Allison J.; Gerkin, Roger E. | Hydrogen bonding in quinolinium-4-carboxylate trihydrate | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1192 | 1195 | 10.1107/S0108270199004849 | 0.71073 | MoKα | null | 0.049 | null | null | null | 0.078 | null | null | null | null | null | 1.27 | null | null | has coordinates | Dobson, Allison J.; Gerkin, Roger E.
Hydrogen bonding in quinolinium-4-carboxylate trihydrate
Acta Crystallographica Section C
55(7)
(1999)
1192-1195 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,321,939 | 12.3717 | 0.0014 | 16.702 | 0.002 | 21.113 | 0.007 | 90 | null | 92.26 | 0.02 | 90 | null | 4,359.2 | 1.6 | 294 | 2 | 294 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C44 H50 N2 Pt Se2 Sn2 - | - C44 H50 N2 Pt Se2 Sn2 - | - C176 H200 N8 Pt4 Se8 Sn8 - | 4 | 1 | Michael C. Janzen; Hilary A. Jenkins; Louis M. Rendina; Jagadese J. Vittal; Richard J. Puddephatt | Synthesis of Metallacycles by Oxidative Addition of Sn-S, Sn-Se, Sn-Te, and Ge-Te Containing Precursors to Platinum(II) | Inorganic Chemistry | 1,999 | 38 | 2123 | 2130 | 10.1021/ic980862p | 0.71073 | MoKα | 0.0887 | 0.0481 | null | 0.1221 | 0.1036 | null | null | null | 1.065 | 1.123 | 1.123 | null | null | null | has coordinates | Michael C. Janzen; Hilary A. Jenkins; Louis M. Rendina; Jagadese J. Vittal; Richard J. Puddephatt
Synthesis of Metallacycles by Oxidative Addition of Sn-S, Sn-Se, Sn-Te, and Ge-Te Containing Precursors to Platinum(II)
Inorganic Chemistry
38
(1999)
2123-2130 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,674 | 8.376 | 0.001 | 9.7236 | 0.0009 | 12.325 | 0.001 | 90 | null | 96.9 | 0.01 | 90 | null | 996.54 | 0.17 | 296 | null | 296 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2-(isopropylthio)benzoic acid | - C10 H12 O2 S - | - C10 H12 O2 S - | - C40 H48 O8 S4 - | 4 | 1 | FR1205 | Gerkin, Roger E. | 2-(Isopropylthio)benzoic acid | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1190 | 1192 | 10.1107/S0108270199005582 | 0.71073 | MoKα | null | 0.046 | null | null | null | 0.068 | null | null | null | null | null | 1.66 | null | null | has coordinates | Gerkin, Roger E.
2-(Isopropylthio)benzoic acid
Acta Crystallographica Section C
55(7)
(1999)
1190-1192 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,675 | 11.568 | 0.001 | 14.356 | 0.002 | 16.243 | 0.001 | 90 | null | 98.3 | 0.01 | 90 | null | 2,669.2 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | tetra(ethyl)ammonium tetraiodo(diethyldithiocarbamato)tellurate(IV) | tetra(ethyl)ammonium tetraiodo(diethyldithiocarbamato)tellurate(IV) | - C13 H30 I4 N2 S2 Te - | - C13 H30 I4 N2 S2 Te - | - C52 H120 I16 N8 S8 Te4 - | 4 | 1 | GD1007 | R. Krishna Kumar; G. Aravamudan; Kandasamy Sivakumar; Hoong-Kun Fun | Tetraethylammonium (<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tetraiodotellurate(IV) | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1121 | 1123 | 10.1107/S0108270199003261 | 0.71073 | MoKα | 0.059 | 0.037 | null | null | null | 0.096 | null | null | null | null | null | 0.934 | null | null | has coordinates | R. Krishna Kumar; G. Aravamudan; Kandasamy Sivakumar; Hoong-Kun Fun
Tetraethylammonium (<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')tetraiodotellurate(IV)
Acta Crystallographica Section C
55(7)
(1999)
1121-1123 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,676 | 17 | 0.002 | 14.369 | 0.002 | 13.485 | 0.002 | 90 | null | 91.32 | 0.01 | 90 | null | 3,293.1 | 0.8 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Ni(t-salpd) | - C18 H18 N2 Ni O0.5 S2 - | - C18 H18 N2 Ni O0.5 S2 - | - C144 H144 N16 Ni8 O4 S16 - | 8 | 2 | GD1011 | Gomes, Ligia; Pereira, Eulalia; de Castro, Baltazar | A nickel complex with a tetradentate N~2~S~2~ Schiff base ligand | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1061 | 1063 | 10.1107/S0108270199004163 | 0.71073 | MoKα | 0.067 | 0.043 | null | 0.121 | 0.099 | null | null | null | 1.215 | 1.217 | 1.217 | null | null | null | has coordinates | Gomes, Ligia; Pereira, Eulalia; de Castro, Baltazar
A nickel complex with a tetradentate N~2~S~2~ Schiff base ligand
Acta Crystallographica Section C
55(7)
(1999)
1061-1063 | 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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2,008,677 | 9.968 | 0.003 | 4.475 | 0.002 | 14.906 | 0.002 | 90 | null | 93.52 | 0.02 | 90 | null | 663.7 | 0.4 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C5 H8 N2 O3 - | - C5 H8 N2 O3 - | - C20 H32 N8 O12 - | 4 | 1 | GD1019 | Okabe, Nobuo; Hayashi,Tomomi | Imidazole-4-acetic acid monohydrate | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1142 | 1144 | 10.1107/S0108270199004023 | 0.71069 | MoKα | null | 0.072 | null | null | null | 0.112 | null | null | null | null | null | 1.21 | null | null | has coordinates | Okabe, Nobuo; Hayashi,Tomomi
Imidazole-4-acetic acid monohydrate
Acta Crystallographica Section C
55(7)
(1999)
1142-1144 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,678 | 15.5486 | 0.001 | 7.7295 | 0.0005 | 25.647 | 0.003 | 90 | null | 96.005 | 0.006 | 90 | null | 3,065.4 | 0.5 | 290 | 1 | 290 | 1 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Di-2-(pyrrolyl)methylferrocene | Di-2-(pyrrolyl)methylferrocene | - C19 H18 Fe N2 - | - C19 H18 Fe N2 - | - C152 H144 Fe8 N16 - | 8 | 2 | GD1024 | Gallagher, John F.; Moriarty, Elena | Intermolecular (pyrrole)N—H···π(pyrrole) interactions in bis(2-pyrrolyl)methylferrocene, an organometallic porphyrin precursor | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1079 | 1082 | 10.1107/S0108270199003625 | 0.7107 | MoKα | 0.1019 | 0.0405 | null | null | null | 0.0764 | null | null | null | null | null | 0.932 | null | null | has coordinates,has disorder | Gallagher, John F.; Moriarty, Elena
Intermolecular (pyrrole)N—H···π(pyrrole) interactions in bis(2-pyrrolyl)methylferrocene, an organometallic porphyrin precursor
Acta Crystallographica Section C
55(7)
(1999)
1079-1082 | 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/2/00/86/2008678.cif $
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2,008,679 | 6.842 | 0.002 | 12.156 | 0.003 | 14.184 | 0.003 | 90 | null | 92.32 | 0.03 | 90 | null | 1,178.7 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 6-(2-Nitroprop-2-yl)quinoline-5-carbonitrile | - C13 H11 N3 O2 - | - C13 H11 N3 O2 - | - C52 H44 N12 O8 - | 4 | 1 | GS1022 | Ján Lokaj; Viktor Kettmann; Vladimír Macháček; Aleš Halama | 6-(2-Nitroprop-2-yl)quinoline-5-carbonitrile | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1101 | 1103 | 10.1107/S0108270199002772 | 0.71073 | MoKα | 0.108 | 0.047 | null | 0.122 | 0.094 | null | null | null | 0.908 | 1.125 | 1.125 | null | null | null | has coordinates | Ján Lokaj; Viktor Kettmann; Vladimír Macháček; Aleš Halama
6-(2-Nitroprop-2-yl)quinoline-5-carbonitrile
Acta Crystallographica Section C
55(7)
(1999)
1101-1103 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/86/2008679.cif $
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4,321,938 | 12.305 | 0.001 | 16.667 | 0.001 | 20.999 | 0.002 | 90 | null | 92.58 | 0.01 | 90 | null | 4,302.3 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C44 H50 N2 Pt S2 Sn2 - | - C44 H50 N2 Pt S2 Sn2 - | - C176 H200 N8 Pt4 S8 Sn8 - | 4 | 1 | Michael C. Janzen; Hilary A. Jenkins; Louis M. Rendina; Jagadese J. Vittal; Richard J. Puddephatt | Synthesis of Metallacycles by Oxidative Addition of Sn-S, Sn-Se, Sn-Te, and Ge-Te Containing Precursors to Platinum(II) | Inorganic Chemistry | 1,999 | 38 | 2123 | 2130 | 10.1021/ic980862p | 0.71073 | MoKα | 0.0681 | 0.0402 | null | 0.0915 | 0.0811 | null | null | null | 1.019 | 1.056 | 1.056 | null | null | null | has coordinates,has disorder | Michael C. Janzen; Hilary A. Jenkins; Louis M. Rendina; Jagadese J. Vittal; Richard J. Puddephatt
Synthesis of Metallacycles by Oxidative Addition of Sn-S, Sn-Se, Sn-Te, and Ge-Te Containing Precursors to Platinum(II)
Inorganic Chemistry
38
(1999)
2123-2130 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179322 $
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2,008,680 | 8.067 | 0.003 | 9.699 | 0.004 | 12.191 | 0.004 | 90 | null | 100.19 | 0.03 | 90 | null | 938.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 4,6,7,8,8a,9-hexahydrothieno[2,3-f]indolizine-6,9-dione | - C10 H9 N O2 S - | - C10 H9 N O2 S - | - C40 H36 N4 O8 S4 - | 4 | 1 | GS1027 | Ján Lokaj; Viktor Kettmann; Stephan Marchalin | 4,6,7,8,8a,9-Hexahydrothieno[3,2-<i>f</i>]indolizine-6,9-dione | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1103 | 1105 | 10.1107/S0108270199001055 | 0.71073 | MoKα | 0.088 | 0.048 | null | 0.134 | 0.091 | null | null | null | 0.968 | 1.105 | 1.105 | null | null | null | has coordinates | Ján Lokaj; Viktor Kettmann; Stephan Marchalin
4,6,7,8,8a,9-Hexahydrothieno[3,2-<i>f</i>]indolizine-6,9-dione
Acta Crystallographica Section C
55(7)
(1999)
1103-1105 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/86/2008680.cif $
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2,008,681 | 6.6557 | 0.0008 | 20.988 | 0.003 | 9.5188 | 0.0015 | 90 | null | 95.473 | 0.014 | 90 | null | 1,323.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | 7-Iodo-3-isopropylamino-4H-1,2,4-benzothiadiazine 1,1-dioxide | - C10 H12 I N3 O2 S - | - C10 H12 I N3 O2 S - | - C40 H48 I4 N12 O8 S4 - | 4 | 1 | GS1034 | Dupont, Léon; Pirotte, Bernard; de Tullio, Pascal | 7-Iodo-3-isopropylamino-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1152 | 1154 | 10.1107/S0108270199000669 | 1.5418 | CuKα | 0.0864 | 0.0512 | null | null | null | 0.1406 | null | null | null | null | null | 0.926 | null | null | has coordinates,has Fobs | Dupont, Léon; Pirotte, Bernard; de Tullio, Pascal
7-Iodo-3-isopropylamino-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide
Acta Crystallographica Section C
55(7)
(1999)
1152-1154 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/86/2008681.cif $
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2,008,682 | 8.5295 | 0.0004 | 11.4017 | 0.0005 | 11.5115 | 0.0005 | 85.406 | 0.001 | 72.81 | 0.001 | 80.316 | 0.001 | 1,053.71 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 2,2-Di(2-methoxyphenyl)-4-methyl[2H]benzo[h]chromene | - C28 H24 O3 - | - C28 H24 O3 - | - C56 H48 O6 - | 2 | 1 | HA1251 | Kandasamy Chinnakali; Kamaraj Sriraghavan; Hoong-Kun Fun; Vayalakkavoor T.Ramakrishnan | 2,2-Bis(2-methoxyphenyl)-4-methyl-2<i>H</i>-benzo[<i>h</i>]chromene | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1123 | 1125 | 10.1107/S0108270199001845 | 0.71073 | MoKα | 0.068 | 0.048 | null | null | null | 0.141 | null | null | null | null | null | 1.027 | null | null | has coordinates | Kandasamy Chinnakali; Kamaraj Sriraghavan; Hoong-Kun Fun; Vayalakkavoor T.Ramakrishnan
2,2-Bis(2-methoxyphenyl)-4-methyl-2<i>H</i>-benzo[<i>h</i>]chromene
Acta Crystallographica Section C
55(7)
(1999)
1123-1125 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/86/2008682.cif $
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2,008,683 | 6.421 | 0.0002 | 16.6897 | 0.0003 | 11.7575 | 0.0003 | 90 | null | 98.738 | 0.001 | 90 | null | 1,245.36 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 9a-propargyl-1,2,3,10-tetrahydrofluorene-3,9-dione | - C16 H12 O2 - | - C16 H12 O2 - | - C64 H48 O8 - | 4 | 1 | HA1252 | Kandasamy Chinnakali; Hoong-Kun Fun; Desikan Rajagopal; Sambasivam Swaminathan; Kamaraj Sriraghavan | 9a-Propargyl-1,2,3,9-tetrahydrofluorene-3,9-dione | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1135 | 1136 | 10.1107/S0108270199001857 | 0.71073 | MoKα | 0.082 | 0.056 | null | null | null | 0.135 | null | null | null | null | null | 1.119 | null | null | has coordinates | Kandasamy Chinnakali; Hoong-Kun Fun; Desikan Rajagopal; Sambasivam Swaminathan; Kamaraj Sriraghavan
9a-Propargyl-1,2,3,9-tetrahydrofluorene-3,9-dione
Acta Crystallographica Section C
55(7)
(1999)
1135-1136 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/86/2008683.cif $
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2,008,684 | 22.8032 | 0.001 | 7.639 | 0.002 | 16.986 | 0.002 | 90 | null | 106.29 | 0.01 | 90 | null | 2,840.1 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | N,N'-Diphenylguanidinium dihydrogen phosphate | - C13 H16 N3 O4 P - | - C13 H16 N3 O4 P - | - C104 H128 N24 O32 P8 - | 8 | 1 | HA1254 | Pereira Silva, P. S.; Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L. | <i>N</i>,<i>N</i>'-Diphenylguanidinium dihydrogen phosphate | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1096 | 1099 | 10.1107/S0108270199004084 | 0.71073 | MoKα | 0.042 | 0.027 | null | null | null | 0.08 | null | null | null | null | null | 1.035 | null | null | has coordinates,has Fobs | Pereira Silva, P. S.; Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.
<i>N</i>,<i>N</i>'-Diphenylguanidinium dihydrogen phosphate
Acta Crystallographica Section C
55(7)
(1999)
1096-1099 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/86/2008684.cif $
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4,321,937 | 14.574 | 0.001 | 13.312 | 0.001 | 19.142 | 0.002 | 90 | null | 103.78 | null | 90 | null | 3,606.8 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C27 H48 N2 O Pt Se2 Sn2 - | - C27 H48 N2 O Pt Se2 Sn2 - | - C108 H192 N8 O4 Pt4 Se8 Sn8 - | 4 | 1 | Michael C. Janzen; Hilary A. Jenkins; Louis M. Rendina; Jagadese J. Vittal; Richard J. Puddephatt | Synthesis of Metallacycles by Oxidative Addition of Sn-S, Sn-Se, Sn-Te, and Ge-Te Containing Precursors to Platinum(II) | Inorganic Chemistry | 1,999 | 38 | 2123 | 2130 | 10.1021/ic980862p | 0.71073 | MoKα | 0.0642 | 0.0324 | null | 0.0708 | 0.0652 | null | null | null | 0.877 | 1.022 | 1.022 | null | null | null | has coordinates,has disorder | Michael C. Janzen; Hilary A. Jenkins; Louis M. Rendina; Jagadese J. Vittal; Richard J. Puddephatt
Synthesis of Metallacycles by Oxidative Addition of Sn-S, Sn-Se, Sn-Te, and Ge-Te Containing Precursors to Platinum(II)
Inorganic Chemistry
38
(1999)
2123-2130 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179322 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321937.cif $
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2,008,685 | 7.887 | 0.009 | 8.358 | 0.004 | 13.98 | 0.01 | 90 | 0.06 | 103.49 | null | 90 | null | 896.1 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | trans-bis(acetato-O)bis(2-amino-6-methylpyridine-N)copper(II) | - C16 H22 Cu N4 O4 - | - C16 H22 Cu N4 O4 - | - C32 H44 Cu2 N8 O8 - | 2 | 0.5 | HA1255 | Lah, Nina; Golič, Ljubo; Šegedin, Primož; Leban, Ivan | <i>trans</i>-Bis(acetato-<i>O</i>)bis(2-amino-6-methylpyridine-<i>N</i>)copper(II) | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1056 | 1058 | 10.1107/S0108270199004345 | 0.71073 | MoKα | 0.073 | 0.034 | null | null | null | 0.086 | null | null | null | null | null | 1.035 | null | null | has coordinates,has Fobs | Lah, Nina; Golič, Ljubo; Šegedin, Primož; Leban, Ivan
<i>trans</i>-Bis(acetato-<i>O</i>)bis(2-amino-6-methylpyridine-<i>N</i>)copper(II)
Acta Crystallographica Section C
55(7)
(1999)
1056-1058 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/86/2008685.cif $
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2,008,686 | 11.507 | 0.002 | 15.225 | 0.005 | 24.573 | 0.009 | 90 | null | 90 | null | 90 | null | 4,305 | 2 | 110 | 1 | 110 | 1 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | (1S,2R)-1-Amino-2-methoxycyclohexane-1-carboxamide hydrochloride 0.25 hydrate | - C8 H17.5 Cl N2 O2.25 - | - C8 H17.5 Cl N2 O2.25 - | - C128 H280 Cl16 N32 O36 - | 16 | 4 | JZ1343 | Pai Fondekar, Kamalesh; Volk, Franz-Josef; Weckert, Edgar; Frahm, August W. | (1<i>S</i>,2<i>R</i>)-1-Amino-2-methoxycyclohexane-1-carboxamide hydrochloride 0.25-hydrate | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1167 | 1170 | 10.1107/S0108270199003522 | 0.71069 | MoKα | 0.025 | 0.024 | null | null | null | 0.063 | null | null | null | null | null | 1.056 | null | null | has coordinates,has Fobs | Pai Fondekar, Kamalesh; Volk, Franz-Josef; Weckert, Edgar; Frahm, August W.
(1<i>S</i>,2<i>R</i>)-1-Amino-2-methoxycyclohexane-1-carboxamide hydrochloride 0.25-hydrate
Acta Crystallographica Section C
55(7)
(1999)
1167-1170 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/86/2008686.cif $
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2,008,687 | 16.185 | 0.007 | 9.11 | 0.003 | 17.535 | 0.008 | 90 | null | 116.85 | 0.02 | 90 | null | 2,306.7 | 1.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | pentacarbonyl-cyclopentadiene-(μ-dicylclohexylphosphanido)manganese-rhodium | - C22 H27 Mn O5 P Rh - | - C22 H27 Mn O5 P Rh - | - C88 H108 Mn4 O20 P4 Rh4 - | 4 | 1 | JZ1346 | Flörke, Ulrich; Haupt, Hans-Jürgen | Pentacarbonyl-1κ^4^<i>C</i>,2κ<i>C</i>-[2(η^5^)-cyclopentadienyl]-μ-dicyclohexylphosphido-1:2κ^2^<i>P</i>-manganeserhodium(<i>Mn</i>—<i>Rh</i>) | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1051 | 1052 | 10.1107/S0108270199004175 | 0.71073 | MoKα | 0.094 | 0.047 | null | 0.1 | null | 0.083 | null | null | 1.025 | null | null | 1.072 | null | null | has coordinates | Flörke, Ulrich; Haupt, Hans-Jürgen
Pentacarbonyl-1κ^4^<i>C</i>,2κ<i>C</i>-[2(η^5^)-cyclopentadienyl]-μ-dicyclohexylphosphido-1:2κ^2^<i>P</i>-manganeserhodium(<i>Mn</i>—<i>Rh</i>)
Acta Crystallographica Section C
55(7)
(1999)
1051-1052 | 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/2/00/86/2008687.cif $
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2,008,688 | 13.73 | 0.005 | 11.334 | 0.003 | 13.848 | 0.005 | 90 | null | 109.15 | 0.02 | 90 | null | 2,035.7 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | tripropargylammonium chloride | - C9 H10 Cl N - | - C9 H10 Cl N - | - C72 H80 Cl8 N8 - | 8 | 2 | Steiner, Thomas; Schreurs, Antoine M. M.; Kroon, Jan | Tris(prop-2-ynyl)ammonium chloride | Acta Crystallographica Section C | 1,999 | 55 | 1156 | 1168 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Steiner, Thomas; Schreurs, Antoine M. M.; Kroon, Jan
Tris(prop-2-ynyl)ammonium chloride
Acta Crystallographica Section C
55
(1999)
1156-1168 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,689 | 10.516 | 0.007 | 11.484 | 0.006 | 11.705 | 0.007 | 113.89 | 0.04 | 112.11 | 0.04 | 95.83 | 0.04 | 1,142.3 | 1.4 | 150 | null | 150 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C24 H70 Fe2 Na2 O8 S6 - | - C24 H70 Fe2 Na2 O8 S6 - | - C24 H70 Fe2 Na2 O8 S6 - | 1 | 0.5 | KA1304 | Ralf Hauptmann; Jörg Lackmann; Changneng Chen; Gerald Henkel | Di-μ-aqua-bis[(trimethanol-<i>O</i>)sodium] <i>anti</i>-bis(μ-2-propanethiolato-<i>S</i>:<i>S</i>)bis[bis(2-propanethiolato-<i>S</i>)iron(II)] and bis(benzyltrimethylammonium) <i>anti</i>-bis(μ-2-propaneselenolato-<i>Se</i>:<i>Se</i>)bis[bis(2-propaneselenolato-<i>Se</i>)iron(II)] | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1084 | 1087 | 10.1107/S0108270199003704 | 0.71073 | MoKα | null | 0.0451 | null | null | null | 0.1201 | null | null | null | 1.04 | 1.04 | null | null | null | has coordinates | Ralf Hauptmann; Jörg Lackmann; Changneng Chen; Gerald Henkel
Di-μ-aqua-bis[(trimethanol-<i>O</i>)sodium] <i>anti</i>-bis(μ-2-propanethiolato-<i>S</i>:<i>S</i>)bis[bis(2-propanethiolato-<i>S</i>)iron(II)] and bis(benzyltrimethylammonium) <i>anti</i>-bis(μ-2-propaneselenolato-<i>Se</i>:<i>Se</i>)bis[bis(2-propaneselenola... | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,690 | 10.322 | 0.008 | 10.482 | 0.007 | 13.259 | 0.008 | 97.64 | 0.005 | 103.98 | 0.05 | 115.43 | 0.005 | 1,210.5 | 1.5 | 150 | null | 150 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C38 H74 Fe2 N2 Se6 - | - C38 H74 Fe2 N2 Se6 - | - C38 H74 Fe2 N2 Se6 - | 1 | 0.5 | KA1304 | Ralf Hauptmann; Jörg Lackmann; Changneng Chen; Gerald Henkel | Di-μ-aqua-bis[(trimethanol-<i>O</i>)sodium] <i>anti</i>-bis(μ-2-propanethiolato-<i>S</i>:<i>S</i>)bis[bis(2-propanethiolato-<i>S</i>)iron(II)] and bis(benzyltrimethylammonium) <i>anti</i>-bis(μ-2-propaneselenolato-<i>Se</i>:<i>Se</i>)bis[bis(2-propaneselenolato-<i>Se</i>)iron(II)] | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1084 | 1087 | 10.1107/S0108270199003704 | 0.71073 | MoKα | null | 0.0341 | null | null | null | 0.0827 | null | null | null | 1.016 | 1.016 | null | null | null | has coordinates | Ralf Hauptmann; Jörg Lackmann; Changneng Chen; Gerald Henkel
Di-μ-aqua-bis[(trimethanol-<i>O</i>)sodium] <i>anti</i>-bis(μ-2-propanethiolato-<i>S</i>:<i>S</i>)bis[bis(2-propanethiolato-<i>S</i>)iron(II)] and bis(benzyltrimethylammonium) <i>anti</i>-bis(μ-2-propaneselenolato-<i>Se</i>:<i>Se</i>)bis[bis(2-propaneselenola... | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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4,321,936 | 16.8055 | 0.0003 | 23.7656 | 0.0001 | 11.1653 | 0.0002 | 90 | null | 102.227 | 0.001 | 90 | null | 4,358.19 | 0.11 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C32 H50 Cu3 N6 O23 - | - C32 H28 Cu3 N6 O23 - | - C128 H112 Cu12 N24 O92 - | 4 | 1 | Quanming Wang; Xintao Wu; Wenjian Zhang; Tianlu Sheng; Ping Lin; Jianmin Li | Solids with Rhombic Channels: Syntheses and Crystal Structures of [Cu3(NTA)2(4,4'-bpy)2(H2O)2].9H2O and [{Cu(4,4'-bpy)(H2O)4}{Cu2(NTA)2(4,4'-bpy)}]. 7H2O (NTA = Nitrilotriacetate, 4,4'-bpy = 4,4'-Bipyridine) | Inorganic Chemistry | 1,999 | 38 | 2223 | 2226 | 10.1021/ic9802799 | 0.71073 | MoKα | 0.1019 | 0.068 | null | 0.2007 | 0.1668 | null | null | null | 1.011 | 1.021 | 1.021 | null | null | null | has coordinates | Quanming Wang; Xintao Wu; Wenjian Zhang; Tianlu Sheng; Ping Lin; Jianmin Li
Solids with Rhombic Channels: Syntheses and Crystal Structures of [Cu3(NTA)2(4,4'-bpy)2(H2O)2].9H2O and [{Cu(4,4'-bpy)(H2O)4}{Cu2(NTA)2(4,4'-bpy)}]. 7H2O (NTA = Nitrilotriacetate, 4,4'-bpy = 4,4'-Bipyridine)
Inorganic Chemistry
38
(1999)
2223-2... | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,691 | 11.356 | 0.001 | 9.843 | 0.001 | 14.452 | 0.002 | 90 | null | 91.56 | 0.01 | 90 | null | 1,614.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 6-Chloro-1-(α-chloroacetyl)-1,2,3,4-tetrahydro-4-methylquinoline-2- spirocyclohexane | - C17 H21 Cl2 N O - | - C17 H21 Cl2 N O - | - C68 H84 Cl8 N4 O4 - | 4 | 1 | KA1310 | Henao-Martínez, José Antonio; Palma, Alirio R.; Kouznetsov, Vladimir V.; Aguirre-Hernández, Gerardo; Fernando-Ortega, Chicote; Soriano-García, Manuel | 6-Chloro-1-(α-chloroacetyl)-1,2,3,4-tetrahydro-4-methylquinoline-2-spirocyclohexane | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1181 | 1183 | 10.1107/S0108270199003376 | 0.71073 | MoKα | 0.109 | 0.053 | null | 0.177 | 0.133 | null | null | null | 1.157 | 1.257 | 1.257 | null | null | null | has coordinates,has Fobs | Henao-Martínez, José Antonio; Palma, Alirio R.; Kouznetsov, Vladimir V.; Aguirre-Hernández, Gerardo; Fernando-Ortega, Chicote; Soriano-García, Manuel
6-Chloro-1-(α-chloroacetyl)-1,2,3,4-tetrahydro-4-methylquinoline-2-spirocyclohexane
Acta Crystallographica Section C
55(7)
(1999)
1181-1183 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,692 | 9.485 | 0.0013 | 11.769 | 0.002 | 14.596 | 0.002 | 104.889 | 0.012 | 96.663 | 0.012 | 90.451 | 0.009 | 1,562.8 | 0.4 | 135 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | (±)-(3'aα,4'β,6'aα)-1',3',3'a,6'a-Tetrahydro-5,5,N,N- tetramethyl-spiro[1,3-dioxane-2,2'(1'H)-pentalene]-4'- acetamide | - C17 H27 N O3 - | - C17 H27 N O3 - | - C68 H108 N4 O12 - | 4 | 2 | KA1316 | Jan W. Bats; Öhlinger, Stefan H.; Mulzer, Johann | (+/-)-(3'aα,4'α,6'aα)-3',3'a,4',6'a-Tetrahydro-5,5,<i>N</i>,<i>N</i>-tetramethylspiro[1,3-dioxane-2,2'(1'<i>H</i>)-pentalene]-4'-acetamide, a triclinic crystal structure with local monoclinic pseudosymmetry | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1158 | 1160 | 10.1107/S0108270199003765 | 0.71073 | MoKα | null | 0.056 | null | null | 0.052 | null | null | null | null | 1.07 | 1.07 | null | null | null | has coordinates | Jan W. Bats; Öhlinger, Stefan H.; Mulzer, Johann
(+/-)-(3'aα,4'α,6'aα)-3',3'a,4',6'a-Tetrahydro-5,5,<i>N</i>,<i>N</i>-tetramethylspiro[1,3-dioxane-2,2'(1'<i>H</i>)-pentalene]-4'-acetamide, a triclinic crystal structure with local monoclinic pseudosymmetry
Acta Crystallographica Section C
55(7)
(1999)
1158-1160 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,693 | 9.2544 | 0.0001 | 14.5543 | 0.0004 | 9.6994 | 0.0002 | 90 | null | 105.435 | 0.001 | 90 | null | 1,259.31 | 0.05 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 4-(4-methylphenyl)-3-phenyl-4H-1,2,4-triazole | - C15 H13 N3 - | - C15 H13 N3 - | - C60 H52 N12 - | 4 | 1 | LN1079 | Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Kamaraj Sriraghavan; Vayalakkavoor T. Ramakrishnan | 4-(4-Methylphenyl)-3-phenyl-4<i>H</i>-1,2,4-triazole | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1136 | 1138 | 10.1107/S0108270199002693 | 0.71073 | MoKα | 0.074 | 0.046 | null | null | null | 0.12 | null | null | null | null | null | 1.043 | null | null | has coordinates | Kandasamy Chinnakali; Hoong-Kun Fun; Annamalai Senthilvelan; Kamaraj Sriraghavan; Vayalakkavoor T. Ramakrishnan
4-(4-Methylphenyl)-3-phenyl-4<i>H</i>-1,2,4-triazole
Acta Crystallographica Section C
55(7)
(1999)
1136-1138 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,321,935 | 12.564 | 0.003 | 11.628 | 0.004 | 15.235 | 0.007 | 90 | null | 93.64 | 0.03 | 90 | null | 2,221.3 | 1.4 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C32 H50 Cu3 N6 O23 - | - C32 H28 Cu2.5 N6 O23 - | - C64 H56 Cu5 N12 O46 - | 2 | 0.5 | Quanming Wang; Xintao Wu; Wenjian Zhang; Tianlu Sheng; Ping Lin; Jianmin Li | Solids with Rhombic Channels: Syntheses and Crystal Structures of [Cu3(NTA)2(4,4'-bpy)2(H2O)2].9H2O and [{Cu(4,4'-bpy)(H2O)4}{Cu2(NTA)2(4,4'-bpy)}]. 7H2O (NTA = Nitrilotriacetate, 4,4'-bpy = 4,4'-Bipyridine) | Inorganic Chemistry | 1,999 | 38 | 2223 | 2226 | 10.1021/ic9802799 | 0.71069 | MoKα | null | 0.065 | null | null | 0.0944 | null | null | null | null | 1.88 | 1.88 | null | null | null | has coordinates | Quanming Wang; Xintao Wu; Wenjian Zhang; Tianlu Sheng; Ping Lin; Jianmin Li
Solids with Rhombic Channels: Syntheses and Crystal Structures of [Cu3(NTA)2(4,4'-bpy)2(H2O)2].9H2O and [{Cu(4,4'-bpy)(H2O)4}{Cu2(NTA)2(4,4'-bpy)}]. 7H2O (NTA = Nitrilotriacetate, 4,4'-bpy = 4,4'-Bipyridine)
Inorganic Chemistry
38
(1999)
2223-2... | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,694 | 11.944 | 0.0002 | 16.541 | 0.0003 | 24.4068 | 0.0004 | 71.432 | 0.001 | 78.541 | 0.001 | 74.63 | 0.001 | 4,372.89 | 0.13 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Trimethyl (5SR,6SR)-1,3-dichloro-8-(diethylamino)-5,6-dihydro-5- hydroxyisoquinoline-5,6,7-tricarboxylate | - C19 H22 Cl2 N2 O7 - | - C19 H22 Cl2 N2 O7 - | - C152 H176 Cl16 N16 O56 - | 8 | 4 | LN1080 | Tarun Kumar Sarkar; Sunil Kumar Ghosh; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun | Trimethyl (5<i>SR</i>,6<i>SR</i>)-1,3-dichloro-8-diethylamino-5,6-dihydro-5-hydroxyisoquinoline-5,6,7-tricarboxylate | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1140 | 1142 | 10.1107/S010827019900311X | 0.71073 | MoKα | 0.121 | 0.055 | null | null | null | 0.168 | null | null | null | null | null | 1.006 | null | null | has coordinates | Tarun Kumar Sarkar; Sunil Kumar Ghosh; Gur Dayal Nigam; Kandasamy Chinnakali; Hoong-Kun Fun
Trimethyl (5<i>SR</i>,6<i>SR</i>)-1,3-dichloro-8-diethylamino-5,6-dihydro-5-hydroxyisoquinoline-5,6,7-tricarboxylate
Acta Crystallographica Section C
55(7)
(1999)
1140-1142 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,695 | 11.7954 | 0.0005 | 7.6537 | 0.0003 | 46.732 | 0.002 | 90 | null | 90 | null | 90 | null | 4,218.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | (2RS,5RS)-2,5-bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one | - C25 H28 O3 - | - C25 H28 O3 - | - C200 H224 O24 - | 8 | 1 | LN1083 | H. Surya Prakash Rao; S. P. Senthilkumar; Kandasamy Chinnakali; Hoong-Kun Fun | (2<i>RS</i>,5<i>RS</i>)-2,5-Bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1130 | 1132 | 10.1107/S0108270199004151 | 0.71073 | MoKα | 0.107 | 0.068 | null | null | null | 0.148 | null | null | null | null | null | 1.14 | null | null | has coordinates | H. Surya Prakash Rao; S. P. Senthilkumar; Kandasamy Chinnakali; Hoong-Kun Fun
(2<i>RS</i>,5<i>RS</i>)-2,5-Bis[3-(4-methylphenyl)-3-oxopropyl]cyclopentan-1-one
Acta Crystallographica Section C
55(7)
(1999)
1130-1132 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,008,696 | 11.67 | 0.003 | 8.538 | 0.002 | 34.208 | 0.01 | 90 | null | 92.58 | 0.02 | 90 | null | 3,405 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Diaqua-[2-(2,6-dichloroanilino)phenyl]acetate magnesium | - C28 H36 Cl4 Mg N2 O12 - | - C28 H36 Cl4 Mg N2 O12 - | - C112 H144 Cl16 Mg4 N8 O48 - | 4 | 1 | NA1405 | Castellari, Carlo; Comelli, Fabio; Ottani, Stefano | A hydrated diclofenac salt of the hexaaquamagnesium ion | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1054 | 1056 | 10.1107/S0108270199004096 | 0.71069 | MoKα | 0.207 | 0.047 | null | null | null | 0.158 | null | null | null | null | null | 0.931 | null | null | has coordinates,has Fobs | Castellari, Carlo; Comelli, Fabio; Ottani, Stefano
A hydrated diclofenac salt of the hexaaquamagnesium ion
Acta Crystallographica Section C
55(7)
(1999)
1054-1056 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,697 | 5.474 | 0.003 | 5.51 | 0.003 | 36.15 | 0.01 | 90 | 0.009 | 90 | 0.009 | 90 | 0.009 | 1,090.3 | 0.9 | 293 | null | 293 | null | null | null | null | null | 4 | B b 21 m | B -2 -2b | 36 | dicalcium disodium tetraniobium tridecaoxide | - Ca2 Na2 Nb4 O13 - | - Ca2.01 Na1.99 Nb4 O13 - | - Ca8.04 Na7.96 Nb16 O52 - | 4 | 0.5 | OA1080 | Chiba, Koji; Ishizawa, Nobuo; Oishi, Shuji | A Ruddlesden‒Popper-type layered perovskite, Na~2~Ca~2~Nb~4~O~13~ | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1041 | 1044 | 10.1107/S0108270199001134 | 0.7107 | MoKα | 0.044 | 0.044 | null | 0.026 | 0.026 | null | null | null | 1.993 | 1.993 | 1.993 | null | null | null | has coordinates | Chiba, Koji; Ishizawa, Nobuo; Oishi, Shuji
A Ruddlesden‒Popper-type layered perovskite, Na~2~Ca~2~Nb~4~O~13~
Acta Crystallographica Section C
55(7)
(1999)
1041-1044 | 211,196 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,698 | 9.563 | 0.001 | 9.657 | 0.001 | 6.935 | 0.002 | 100.89 | 0.02 | 102.54 | 0.02 | 90.26 | 0.01 | 613.2 | 0.2 | 299 | null | 299 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C11 H9 Cl2 N O5 - | - C11 H9 Cl2 N O5 - | - C22 H18 Cl4 N2 O10 - | 2 | 1 | OA1082 | Ishida, Hiroyuki; Kashino, Setsuo | Pyridinium and 1,2-diazinium salts of chloranilic acid | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1149 | 1152 | 10.1107/S0108270199003777 | 0.71073 | MoKα | 0.08 | 0.055 | null | 0.058 | null | 0.049 | null | null | 1.33 | null | null | 1.33 | null | null | has coordinates | Ishida, Hiroyuki; Kashino, Setsuo
Pyridinium and 1,2-diazinium salts of chloranilic acid
Acta Crystallographica Section C
55(7)
(1999)
1149-1152 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,699 | 3.799 | 0.001 | 20.292 | 0.005 | 9.675 | 0.002 | 90 | null | 99.69 | 0.02 | 90 | null | 735.2 | 0.3 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H10 Cl2 N4 O4 - | - C14 H10 Cl2 N4 O4 - | - C28 H20 Cl4 N8 O8 - | 2 | 0.5 | OA1082 | Ishida, Hiroyuki; Kashino, Setsuo | Pyridinium and 1,2-diazinium salts of chloranilic acid | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1149 | 1152 | 10.1107/S0108270199003777 | 0.71073 | MoKα | 0.06 | 0.048 | null | 0.078 | null | 0.061 | null | null | 1.55 | null | null | 1.55 | null | null | has coordinates | Ishida, Hiroyuki; Kashino, Setsuo
Pyridinium and 1,2-diazinium salts of chloranilic acid
Acta Crystallographica Section C
55(7)
(1999)
1149-1152 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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4,321,934 | 8.001 | 0.005 | 22.99 | 0.02 | 4.982 | 0.003 | 90 | null | 90 | null | 90 | null | 916.4 | 1.1 | 296 | null | 296 | null | null | null | null | null | 6 | I 2 2 2 | I 2 2 | 23 | - C12 H28 Cl N6 Ni O6 - | - C12 H28 Cl N8 Ni O8 - | - C24 H56 Cl2 N16 Ni2 O16 - | 2 | 0.25 | Masahiro Yamashita; Toshio Manabe; Kazuo Inoue; Takuya Kawashima; Hiroshi Okamoto; Hiroshi Kitagawa; Tadaoki Mitani; Koshiro Toriumi; Hiroshi Miyamae; Ryuichi Ikeda | Tuning of Spin Density Wave Strengths in Quasi-One-Dimensional Halogen-Bridged NiIII Complexes with Strong Electron Correlations, [NiIII(chxn)2X]Y2 | Inorganic Chemistry | 1,999 | 38 | 1894 | 1899 | 10.1021/ic9812499 | 0.71069 | xray_tube | 0.073 | 0.066 | null | 0.058 | 0.058 | null | null | null | 5.241 | 5.533 | 5.533 | null | null | null | has coordinates | Masahiro Yamashita; Toshio Manabe; Kazuo Inoue; Takuya Kawashima; Hiroshi Okamoto; Hiroshi Kitagawa; Tadaoki Mitani; Koshiro Toriumi; Hiroshi Miyamae; Ryuichi Ikeda
Tuning of Spin Density Wave Strengths in Quasi-One-Dimensional Halogen-Bridged NiIII Complexes with Strong Electron Correlations, [NiIII(chxn)2X]Y2
Inorgan... | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,700 | 10.796 | 0.003 | 7.755 | 0.002 | 19.315 | 0.002 | 90 | null | 90.8 | 0.01 | 90 | null | 1,617 | 0.6 | 297 | null | 273.2 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | exo-[(RS,SR)-N,N'-Bis(salicylidene)-2,3-butanediaminato]oxovanadium(IV) | - C18 H18 N2 O3 V - | - C18 H18 N2 O3 V - | - C72 H72 N8 O12 V4 - | 4 | 1 | OA1084 | Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru | <i>exo</i>-[(<i>RS</i>,<i>SR</i>)-<i>N</i>,<i>N</i>'-Bis(salicylidene)-2,3-butanediaminato]oxovanadium(IV) | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1082 | 1084 | 10.1107/S0108270199004187 | 0.71073 | MoKα | 0.061 | 0.036 | null | null | null | 0.064 | null | null | null | null | null | 1.262 | null | null | has coordinates | Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru
<i>exo</i>-[(<i>RS</i>,<i>SR</i>)-<i>N</i>,<i>N</i>'-Bis(salicylidene)-2,3-butanediaminato]oxovanadium(IV)
Acta Crystallographica Section C
55(7)
(1999)
1082-1084 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,701 | 16.014 | 0.002 | 16.097 | 0.001 | 9.7547 | 0.0007 | 95.827 | 0.006 | 104.757 | 0.007 | 84.81 | 0.008 | 2,413.6 | 0.4 | 248.2 | null | 248 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | 2,2,8,8-tetramethoxy-1a,9-bis(methylacrylato)- 1,4-etheno-octahydronaphthalene-6-ene-3,7-dione | dimethyl 8,8-dimethoxy-7-oxo-1,4-(1,1-dimethoxy-2-oxoethano)- 1,4,4a,7,8,8a-hexahydronaphthalene-2,4a-diyldiacrylate | - C24 H28 O10 - | - C24 H27.5 O10 - | - C96 H110 O40 - | 4 | 2 | OA1086 | Yoshihara, Ryouko; Mori, Kazuki; Nishiyama, Shigeru; Yamamura, Syousuke; Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu | An asatone-type neolignan and its photocage product | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1144 | 1147 | 10.1107/S0108270199004205 | 1.54184 | CuKα | null | 0.05 | null | null | null | 0.102 | null | null | null | null | null | 1.62 | null | null | has coordinates | Yoshihara, Ryouko; Mori, Kazuki; Nishiyama, Shigeru; Yamamura, Syousuke; Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
An asatone-type neolignan and its photocage product
Acta Crystallographica Section C
55(7)
(1999)
1144-1147 | 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/2/00/87/2008701.cif $
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2,008,702 | 15.356 | 0.003 | 8.659 | 0.003 | 17.271 | 0.004 | 90 | null | 94.31 | 0.02 | 90 | null | 2,290 | 1.1 | 248 | null | 248 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | dimethyl 6,6,12,12-tetramethoxy-5,11-dioxotetracyclo[6.2.2.0^3,10^.0^4,9^] dodecane-2,9-diyldiacrylate | - C24 H28 O10 - | - C24 H28 O10 - | - C96 H112 O40 - | 4 | 1 | OA1086 | Yoshihara, Ryouko; Mori, Kazuki; Nishiyama, Shigeru; Yamamura, Syousuke; Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu | An asatone-type neolignan and its photocage product | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1144 | 1147 | 10.1107/S0108270199004205 | 1.54184 | CuKα | null | 0.063 | null | null | null | 0.122 | null | null | null | null | null | 1.571 | null | null | has coordinates | Yoshihara, Ryouko; Mori, Kazuki; Nishiyama, Shigeru; Yamamura, Syousuke; Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu
An asatone-type neolignan and its photocage product
Acta Crystallographica Section C
55(7)
(1999)
1144-1147 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,008,703 | 10.1673 | 0.0001 | 10.1932 | 0.0002 | 15.4592 | 0.0002 | 90 | null | 102.048 | 0.001 | 90 | null | 1,566.86 | 0.04 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | deoxycholic acid, tris(hydroxymethyl) amino methane, water | tris(hydroxymethyl)methyl ammonium 3α,12α-dihydroxy-5β-cholan-24-oate trihydrate | - C28 H57 N O10 - | - C28 H57 N O10 - | - C56 H114 N2 O20 - | 2 | 1 | OS1052 | Tusvik, Per Helge; Mostad, Arvid; Dalhus, Bjørn; Rosenqvist, Einar | A 1:1 complex between deoxycholate and tris(hydroxymethyl)methylammonium | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1113 | 1115 | 10.1107/S0108270199004370 | 0.71073 | MoKα | 0.042 | 0.035 | null | 0.092 | 0.084 | null | null | null | 1.057 | 1.04 | 1.04 | null | null | null | has coordinates,has Fobs | Tusvik, Per Helge; Mostad, Arvid; Dalhus, Bjørn; Rosenqvist, Einar
A 1:1 complex between deoxycholate and tris(hydroxymethyl)methylammonium
Acta Crystallographica Section C
55(7)
(1999)
1113-1115 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,008,704 | 9.9166 | 0.0002 | 4.7247 | 0.0001 | 15.3292 | 0.0003 | 90 | null | 102.349 | 0.001 | 90 | null | 701.6 | 0.02 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | L-Norvaline:D-Norleucine | - C11 H24 N2 O4 - | - C11 H24 N2 O4 - | - C22 H48 N4 O8 - | 2 | 1 | OS1053 | Dalhus, Bjørn; Görbitz, Carl Henrik | Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1105 | 1112 | 10.1107/S0108270199003649 | 0.71073 | MoKα | 0.0567 | 0.0448 | null | 0.1271 | 0.1161 | null | null | null | 1.049 | 1.053 | 1.053 | null | null | null | has coordinates | Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series
Acta Crystallographica Section C
55(7)
(1999)
1105-1112 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/87/2008704.cif $
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4,321,933 | 22.603 | 0.004 | 34.759 | 0.006 | 18.167 | 0.003 | 90 | null | 90 | null | 90 | null | 14,273 | 4 | null | null | null | null | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | - C63 H53 Ce Co4 N15 O27 - | - C59.5 H48.5 Ce Co4 N14.5 O26.6667 - | - C476 H388 Ce8 Co32 N116 O213.333 - | 8 | 1 | Katerina Dimitrou; Angelica D. Brown; Kirsten Folting; George Christou | [Co4O4]4+ Cubane Core as a Brønsted Base: Preparation and Properties of [Co4O3(OH)(O2CR)2(bpy)2]3+ and [Co4O2(OH)2(O2CR)2(bpy)2]4+ Salts | Inorganic Chemistry | 1,999 | 38 | 1834 | 1841 | 10.1021/ic981237n | 0.71069 | MoKα | null | 0.0863 | null | null | null | 0.0878 | null | null | null | null | null | 2.0077 | null | null | has coordinates,has disorder | Katerina Dimitrou; Angelica D. Brown; Kirsten Folting; George Christou
[Co4O4]4+ Cubane Core as a Brønsted Base: Preparation and Properties of [Co4O3(OH)(O2CR)2(bpy)2]3+ and [Co4O2(OH)2(O2CR)2(bpy)2]4+ Salts
Inorganic Chemistry
38
(1999)
1834-1841 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321933.cif $
#-------------------------------------------------------------------... | |||||||||||||
2,008,705 | 9.8756 | 0.0002 | 4.7029 | 0.0001 | 16.4192 | 0.0003 | 90 | null | 107.328 | 0.0007 | 90 | null | 727.96 | 0.03 | 110 | 2 | 110 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | L-Methionine:D-Norleucine | - C11 H24 N2 O4 S - | - C11 H24 N2 O4 S - | - C22 H48 N4 O8 S2 - | 2 | 1 | OS1053 | Dalhus, Bjørn; Görbitz, Carl Henrik | Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1105 | 1112 | 10.1107/S0108270199003649 | 0.71073 | MoKα | 0.028 | 0.0254 | null | 0.0697 | 0.0682 | null | null | null | 1.059 | 1.07 | 1.07 | null | null | null | has coordinates | Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series
Acta Crystallographica Section C
55(7)
(1999)
1105-1112 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/87/2008705.cif $
#-------------------------------------------------------------------... | ||||||||||
2,008,706 | 29.5751 | 0.0004 | 4.7386 | 0.0001 | 9.9402 | 0.0001 | 90 | null | 102.711 | 0.0008 | 90 | null | 1,358.92 | 0.04 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | L-Valine:D-Norleucine | - C11 H24 N2 O4 - | - C11 H24 N2 O4 - | - C44 H96 N8 O16 - | 4 | 1 | OS1053 | Dalhus, Bjørn; Görbitz, Carl Henrik | Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1105 | 1112 | 10.1107/S0108270199003649 | 0.71073 | MoKα | 0.0496 | 0.038 | null | 0.1057 | 0.0951 | null | null | null | 1.052 | 1.049 | 1.049 | null | null | null | has coordinates | Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series
Acta Crystallographica Section C
55(7)
(1999)
1105-1112 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/87/2008706.cif $
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2,008,707 | 31.4433 | 0.0004 | 4.7622 | 0.0001 | 9.9363 | 0.0002 | 90 | null | 100.838 | 0.0004 | 90 | null | 1,461.32 | 0.05 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | L-alloIsoleucine:D-Norleucine | - C12 H26 N2 O4 - | - C12 H26 N2 O4 - | - C48 H104 N8 O16 - | 4 | 1 | OS1053 | Dalhus, Bjørn; Görbitz, Carl Henrik | Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1105 | 1112 | 10.1107/S0108270199003649 | 0.71073 | MoKα | 0.0485 | 0.0394 | null | 0.1052 | 0.098 | null | null | null | 1.075 | 1.066 | 1.066 | null | null | null | has coordinates | Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series
Acta Crystallographica Section C
55(7)
(1999)
1105-1112 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/87/2008707.cif $
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2,008,708 | 5.1778 | 0.0001 | 27.8078 | 0.0005 | 5.3995 | 0.0001 | 90 | null | 112.303 | 0.001 | 90 | null | 719.28 | 0.02 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | L-Leucine:D-Norleucine | - C12 H26 N2 O4 - | - C12 H26 N2 O4 - | - C24 H52 N4 O8 - | 2 | 1 | OS1053 | Dalhus, Bjørn; Görbitz, Carl Henrik | Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1105 | 1112 | 10.1107/S0108270199003649 | 0.71073 | MoKα | 0.067 | 0.0587 | null | 0.1354 | 0.1308 | null | null | null | 1.192 | 1.22 | 1.22 | null | null | null | has coordinates,has disorder | Dalhus, Bjørn; Görbitz, Carl Henrik
Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. II. The <small>D</small>-norleucine series
Acta Crystallographica Section C
55(7)
(1999)
1105-1112 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/87/2008708.cif $
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4,321,932 | 33.838 | 0.008 | 13.826 | 0.003 | 29.944 | 0.007 | 90 | null | 98.844 | 0.012 | 90 | null | 13,843 | 6 | null | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C62 H59 Cl4 Co4 N11 O25 - | - C63.75 H48 Cl4 Co4 N10 O26.25 - | - C510 H384 Cl32 Co32 N80 O210 - | 8 | 1 | Katerina Dimitrou; Angelica D. Brown; Kirsten Folting; George Christou | [Co4O4]4+ Cubane Core as a Brønsted Base: Preparation and Properties of [Co4O3(OH)(O2CR)2(bpy)2]3+ and [Co4O2(OH)2(O2CR)2(bpy)2]4+ Salts | Inorganic Chemistry | 1,999 | 38 | 1834 | 1841 | 10.1021/ic981237n | 0.71069 | MoKα | null | 0.0832 | null | null | null | 0.0752 | null | null | null | null | null | 0 | null | null | has coordinates,has disorder | Katerina Dimitrou; Angelica D. Brown; Kirsten Folting; George Christou
[Co4O4]4+ Cubane Core as a Brønsted Base: Preparation and Properties of [Co4O3(OH)(O2CR)2(bpy)2]3+ and [Co4O2(OH)2(O2CR)2(bpy)2]4+ Salts
Inorganic Chemistry
38
(1999)
1834-1841 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179322 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/19/4321932.cif $
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2,008,709 | 15.423 | 0.002 | 18.571 | 0.004 | 5.8691 | 0.0008 | 90 | null | 90 | null | 90 | null | 1,681 | 0.5 | 120 | 2 | 120 | 2 | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | 1,1-di(4-methoxy phenyl)-3,3-dimethyl-2-butanone | - C20 H24 O3 - | - C20 H24 O3 - | - C80 H96 O12 - | 4 | 0.5 | QA0119 | Srinivasan S. Kuduva; Amy K. Katz; H. L. Carrell; Gautam R. Desiraju | 1,1-Bis(4-methoxyphenyl)-3,3-dimethylbutan-2-one | Acta Crystallographica Section C | 1,999 | 55 | 7 | IUC9900073 | 10.1107/S0108270199099230 | 0.71073 | MoKα | 0.113 | 0.059 | null | null | null | 0.177 | null | null | null | null | null | 0.905 | null | null | has coordinates | Srinivasan S. Kuduva; Amy K. Katz; H. L. Carrell; Gautam R. Desiraju
1,1-Bis(4-methoxyphenyl)-3,3-dimethylbutan-2-one
Acta Crystallographica Section C
55(7)
(1999)
IUC9900073 | 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/2/00/87/2008709.cif $
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2,008,710 | 5.1387 | 0.0002 | 22.5026 | 0.001 | 10.141 | 0.0004 | 90 | null | 101.69 | null | 90 | null | 1,148.32 | 0.08 | 174 | 2 | 174 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4,5-dibromophthalic acid monoethylester | - C10 H8 Br2 O4 - | - C10 H8 Br2 O4 - | - C40 H32 Br8 O16 - | 4 | 1 | QA0129 | Britton, Doyle | Ethyl hydrogen 4,5-dibromophthalate | Acta Crystallographica Section C | 1,999 | 55 | 7 | IUC9900071 | 10.1107/S0108270199099229 | 0.71073 | MoKα | 0.046 | 0.035 | null | 0.078 | null | 0.074 | null | null | 1.095 | null | null | 1.132 | null | null | has coordinates,has disorder | Britton, Doyle
Ethyl hydrogen 4,5-dibromophthalate
Acta Crystallographica Section C
55(7)
(1999)
IUC9900071 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/87/2008710.cif $
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2,008,711 | 6.7579 | 0.0012 | 6.8393 | 0.001 | 11.0376 | 0.0017 | 90 | null | 101.307 | 0.014 | 90 | null | 500.25 | 0.14 | 140 | 2 | 140 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 1'-deoxy-1'-(3-fluorophenyl)-β-D-ribofuranose | - C11 H13 F O4 - | - C11 H13 F O4 - | - C22 H26 F2 O8 - | 2 | 1 | QA0131 | Bats, Jan W.; Parsch, Jörg; Engels, Joachim W. | 1-Deoxy-1-(3-fluorophenyl)-β-<small>D</small>-ribofuranose | Acta Crystallographica Section C | 1,999 | 55 | 7 | IUC9900070 | 10.1107/S0108270199099205 | 0.71073 | MoKα | 0.038 | 0.035 | null | null | null | 0.091 | null | null | null | null | null | 1.44 | null | null | has coordinates | Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.
1-Deoxy-1-(3-fluorophenyl)-β-<small>D</small>-ribofuranose
Acta Crystallographica Section C
55(7)
(1999)
IUC9900070 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$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/2/00/87/2008711.cif $
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2,008,712 | 7.5544 | 0.0017 | 8.5939 | 0.0012 | 14.489 | 0.002 | 77.136 | 0.011 | 86.8 | 0.015 | 88.879 | 0.016 | 915.6 | 0.3 | 293 | null | 293 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C7 H10 N2 O3 S - | - C7 H10 N2 O3 S - | - C28 H40 N8 O12 S4 - | 4 | 2 | QA0133 | Kennedy, Alan R.; Khalaf, Abedawn I.; Pitt, Andrew R.; Scobie, Martin; Suckling, Colin J.; Urwin, John; Waigh, Roger D.; Young, Stephen C. | Methyl 2-amino-4-(methoxymethyl)thiazole-5-carboxylate | Acta Crystallographica Section C | 1,999 | 55 | 7 | IUC9900072 | 10.1107/S0108270199099199 | 0.71069 | MoKα | 0.068 | 0.035 | null | null | null | 0.105 | null | null | null | null | null | 1.022 | null | null | has coordinates | Kennedy, Alan R.; Khalaf, Abedawn I.; Pitt, Andrew R.; Scobie, Martin; Suckling, Colin J.; Urwin, John; Waigh, Roger D.; Young, Stephen C.
Methyl 2-amino-4-(methoxymethyl)thiazole-5-carboxylate
Acta Crystallographica Section C
55(7)
(1999)
IUC9900072 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,713 | 11.938 | 0.008 | 24.421 | 0.005 | 7.8395 | 0.0012 | 90 | null | 90 | null | 90 | null | 2,285.5 | 1.6 | 298.2 | null | 298.2 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C25 H28 N2 O4 - | - C25 H28 N2 O4 - | - C100 H112 N8 O16 - | 4 | 1 | QA0134 | K. Vyas; K. Shashi Rekha; P. Rajender Kumar; S. Raju; M. R. Sarma; G. Om Reddy | A diketopiperazine derivative of quinapril | Acta Crystallographica Section C | 1,999 | 55 | 7 | IUC9900077 | 10.1107/S0108270199099187 | 1.5418 | CuKα | 0.062 | 0.058 | null | 0.077 | null | 0.076 | null | null | 1.834 | null | null | 1.847 | null | null | has coordinates | K. Vyas; K. Shashi Rekha; P. Rajender Kumar; S. Raju; M. R. Sarma; G. Om Reddy
A diketopiperazine derivative of quinapril
Acta Crystallographica Section C
55(7)
(1999)
IUC9900077 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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4,321,931 | 7.712 | 0.002 | 11.702 | 0.002 | 15.247 | 0.003 | 81.94 | 0.03 | 78.75 | 0.03 | 73.5 | 0.03 | 1,288.7 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | Bis-(N-methylimidazole-2-carbaldehyde)-zinc-bis-(pentafluorthiphenolate) | - C22 H12 F10 N4 O2 S2 Zn - | - C22 H12 F10 N4 O2 S2 Zn - | - C44 H24 F20 N8 O4 S4 Zn2 - | 2 | 1 | Bodo Müller; Astrid Schneider; Markus Tesmer; Heinrich Vahrenkamp | Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase | Inorganic Chemistry | 1,999 | 38 | 1900 | 1907 | 10.1021/ic981227m | 0.71073 | MoKα | 0.0662 | 0.0373 | null | null | 0.0924 | 0.106 | null | null | null | null | null | 1.048 | null | null | has coordinates | Bodo Müller; Astrid Schneider; Markus Tesmer; Heinrich Vahrenkamp
Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase
Inorganic Chemistry
38
(1999)
1900-1907 | 179,322 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:19:29 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179322 $
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2,008,714 | 13.2435 | 0.0019 | 5.1116 | 0.0008 | 15.52 | 0.003 | 90 | null | 102.2 | 0.013 | 90 | null | 1,026.9 | 0.3 | 133 | 2 | 133 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | 1'-deoxy-1'-(2-fluorophenyl)-β-D-ribofuranose | - C11 H13 F O4 - | - C11 H13 F O4 - | - C44 H52 F4 O16 - | 4 | 1 | QA0135 | Bats, Jan W.; Parsch, Jörg; Engels, Joachim W. | 1-Deoxy-1-(2-fluorophenyl)-β-<small>D</small>-ribofuranose | Acta Crystallographica Section C | 1,999 | 55 | 7 | IUC9900069 | 10.1107/S0108270199099217 | 0.71073 | MoKα | 0.034 | 0.032 | null | null | null | 0.09 | null | null | null | null | null | 1.194 | null | null | has coordinates | Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.
1-Deoxy-1-(2-fluorophenyl)-β-<small>D</small>-ribofuranose
Acta Crystallographica Section C
55(7)
(1999)
IUC9900069 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,715 | 24.015 | 0.004 | 10.396 | 0.004 | 10.41 | 0.004 | 90 | null | 91.48 | 0.02 | 90 | null | 2,598.1 | 1.5 | 298 | null | 298 | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | 8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione | - C15 H20 O2 - | - C15 H20 O2 - | - C120 H160 O16 - | 8 | 1 | QA0136 | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru | 8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione and 7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one methanol solvate | Acta Crystallographica Section C | 1,999 | 55 | 7 | IUC9900068 | 10.1107/S0108270199099175 | 0.71073 | MoKα | null | 0.0536 | null | null | null | 0.1118 | null | null | null | null | null | 1.128 | null | null | has coordinates | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru
8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione and 7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one methanol solvate
Acta Crystallographica Section C
55(7)
(1999)
IUC9900068 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,716 | 15.096 | 0.002 | 8.434 | 0.001 | 25.095 | 0.001 | 90 | null | 105.02 | 0.01 | 90 | null | 3,085.9 | 0.6 | 298 | null | 298 | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | 7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan- 13-one monomethanol solvate | - C16 H26 O4 - | - C16 H26 O4 - | - C128 H208 O32 - | 8 | 1 | QA0136 | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru | 8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione and 7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one methanol solvate | Acta Crystallographica Section C | 1,999 | 55 | 7 | IUC9900068 | 10.1107/S0108270199099175 | 0.71073 | MoKα | null | 0.0495 | null | null | null | 0.0915 | null | null | null | null | null | 1.316 | null | null | has coordinates | Umehara, Misao; Hosomi, Hiroyuki; Ohba, Shigeru
8-Methyltricyclo[9.3.0.0^3,7^]tetradec-3-ene-5,10-dione and 7,12-dihydroxy-9,12-dimethyltetracyclo[8.2.1.0^1,5^.0^7,11^]tridecan-13-one methanol solvate
Acta Crystallographica Section C
55(7)
(1999)
IUC9900068 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,717 | 5.8094 | 0.0013 | 10.466 | 0.003 | 19.605 | 0.005 | 90 | null | 90.998 | 0.019 | 90 | null | 1,191.8 | 0.5 | 130 | 2 | 130 | 2 | null | null | null | null | 2 | P 1 21/c 1 | -P 2ybc | 14 | Biphenylene | - C12 H8 - | - C12 H8 - | - C72 H48 - | 6 | 1.5 | QA0137 | Boese, Roland; Bläser, Dieter; Latz, Rüdiger | Redetermination of biphenylene at 130K | Acta Crystallographica Section C | 1,999 | 55 | 7 | IUC9900067 | 10.1107/S0108270199099163 | 0.71073 | MoKα | 0.064 | 0.052 | null | null | null | 0.149 | null | null | null | null | null | 1.031 | null | null | has coordinates | Boese, Roland; Bläser, Dieter; Latz, Rüdiger
Redetermination of biphenylene at 130K
Acta Crystallographica Section C
55(7)
(1999)
IUC9900067 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,718 | 15.373 | 0.003 | 6.536 | 0.001 | 17.8 | 0.004 | 90 | null | 100.61 | 0.01 | 90 | null | 1,757.9 | 0.6 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C11 H10 O2 - | - C11 H10 O2 - | - C88 H80 O16 - | 8 | 2 | QA0139 | Söntgen, Olaf; Bolte, Michael | 1,4,4a,5,8,8a-Hexahydro-1,4-methanonaphthalene-5,8-dione | Acta Crystallographica Section C | 1,999 | 55 | 7 | IUC9900076 | 10.1107/S0108270199099151 | 0.71073 | MoKα | 0.078 | 0.048 | null | null | null | 0.12 | null | null | null | null | null | 1.018 | null | null | has coordinates,has Fobs | Söntgen, Olaf; Bolte, Michael
1,4,4a,5,8,8a-Hexahydro-1,4-methanonaphthalene-5,8-dione
Acta Crystallographica Section C
55(7)
(1999)
IUC9900076 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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4,321,930 | 11.064 | 0.004 | 7.51 | 0.002 | 13.779 | 0.003 | 90 | 0.02 | 90.6 | 0.02 | 90 | 0.03 | 1,144.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | Dichloromethane/Petrolether 60/70 | 7 | P 1 21 1 | P 2yb | 4 | (2-Dimethylaminobenzaldehyde)-zinc-bis(pentafluorothiophenolate) | - C21 H11 F10 N O S2 Zn - | - C21 H11 F10 N O S2 Zn - | - C42 H22 F20 N2 O2 S4 Zn2 - | 2 | 1 | Bodo Müller; Astrid Schneider; Markus Tesmer; Heinrich Vahrenkamp | Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase | Inorganic Chemistry | 1,999 | 38 | 1900 | 1907 | 10.1021/ic981227m | 0.71073 | MoKα | 0.2373 | 0.058 | null | null | 0.1354 | 0.188 | null | null | null | null | null | 1.02 | null | null | has coordinates | Bodo Müller; Astrid Schneider; Markus Tesmer; Heinrich Vahrenkamp
Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase
Inorganic Chemistry
38
(1999)
1900-1907 | 211,332 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,719 | 10.3746 | 0.0004 | 13.7857 | 0.0005 | 7.9098 | 0.0004 | 90 | null | 96.637 | 0.002 | 90 | null | 1,123.69 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2-(4-cyano-2,6-dichlorophenylimino)imidazolidine | - C10 H8 Cl2 N4 - | - C10 H8 Cl2 N4 - | - C40 H32 Cl8 N16 - | 4 | 1 | QB0091 | E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo | Substituted clonidine derivatives. I. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzonitrile and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzonitrile | Acta Crystallographica Section C | 1,999 | 55 | 7 | IUC9900066 | 10.1107/S010827019909914X | 0.71073 | MoKα | 0.153 | 0.068 | null | null | null | 0.158 | null | null | null | null | null | 1.035 | null | null | has coordinates | E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo
Substituted clonidine derivatives. I. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzonitrile and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzonitrile
Acta Crystallographica Section C
55(7)
(1999)
I... | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,720 | 9.8442 | 0.0013 | 18.997 | 0.003 | 10.9399 | 0.0012 | 90 | null | 108.079 | 0.01 | 90 | null | 1,944.9 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 2-(4-cyano-2,6-dichlorophenylimino)-1,3-diisobutyrylimidazolidine | - C18 H20 Cl2 N4 O2 - | - C18 H20 Cl2 N4 O2 - | - C72 H80 Cl8 N16 O8 - | 4 | 1 | QB0091 | E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo | Substituted clonidine derivatives. I. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzonitrile and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzonitrile | Acta Crystallographica Section C | 1,999 | 55 | 7 | IUC9900066 | 10.1107/S010827019909914X | 0.71073 | MoKα | 0.127 | 0.044 | null | null | null | 0.077 | null | null | null | null | null | 0.96 | null | null | has coordinates | E. M. Elssfah; K. Chinnakali; H.-K. Fun; I. W. Mathison; E. K. Gan; M. Zubaid; T. W. Sam; K. S. Khoo
Substituted clonidine derivatives. I. 3,5-Dichloro-4-(imidazolidin-2-ylideneamino)benzonitrile and 3,5-dichloro-4-(1,3-diisobutyrylimidazolidin-2-ylideneamino)benzonitrile
Acta Crystallographica Section C
55(7)
(1999)
I... | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,721 | 5.26 | 0.0007 | 5.26 | 0.0007 | 8.801 | 0.002 | 90 | null | 90 | null | 120 | null | 210.88 | 0.06 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 63 2 2 | P 6c 2c | 182 | potassium iron silicate | potassium iron silicate | - Fe0.97 K0.97 O4 Si1.03 - | - Fe0.97 K0.97 O3.99999 Si1.03 - | - Fe1.94 K1.94 O7.99998 Si2.06 - | 2 | 0.166667 | QB0099 | Robert Hammond; Jacques Barbier | Hexagonal β-KFeSiO~4~ | Acta Crystallographica Section C | 1,999 | 55 | 7 | IUC9900075 | 10.1107/S0108270199099242 | 0.56086 | AgKα | 0.032 | 0.0189 | null | 0.0563 | 0.0452 | null | null | null | 0.982 | 1.114 | 1.114 | null | null | null | has coordinates | Robert Hammond; Jacques Barbier
Hexagonal β-KFeSiO~4~
Acta Crystallographica Section C
55(7)
(1999)
IUC9900075 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,722 | 18.749 | 0.003 | 18.749 | 0.003 | 8.684 | 0.002 | 90 | null | 90 | null | 120 | null | 2,643.7 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 63 | P 6c | 173 | potassium iron germanate | potassium iron germanium tetraoxide | - Fe Ge K O4 - | - Fe Ge K O4 - | - Fe24 Ge24 K24 O96 - | 24 | 4 | QB0100 | Robert Hammond; Jacques Barbier | Low-temperature KFeGeO~4~ | Acta Crystallographica Section C | 1,999 | 55 | 7 | IUC9900074 | 10.1107/S0108270199099254 | 0.56086 | AgKα | 0.055 | 0.041 | null | 0.11 | 0.095 | null | null | null | 0.939 | 1.023 | 1.023 | null | null | null | has coordinates | Robert Hammond; Jacques Barbier
Low-temperature KFeGeO~4~
Acta Crystallographica Section C
55(7)
(1999)
IUC9900074 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,321,929 | 8.746 | 0.002 | 8.777 | 0.002 | 13.782 | 0.003 | 100.22 | 0.03 | 92.17 | 0.03 | 95.12 | 0.03 | 1,035.5 | 0.4 | 173 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | MetPCAZn(PFTP)2 | (6-Methoxy-2-pyridylcarbaldehyd)-zinc-bis(pentafluorothiophenolate) | - C19 H7 F10 N O2 S2 Zn - | - C19 H7 F10 N O2 S2 Zn - | - C38 H14 F20 N2 O4 S4 Zn2 - | 2 | 1 | Bodo Müller; Astrid Schneider; Markus Tesmer; Heinrich Vahrenkamp | Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase | Inorganic Chemistry | 1,999 | 38 | 1900 | 1907 | 10.1021/ic981227m | 0.71073 | MoKα | 0.0345 | 0.0246 | null | null | 0.0641 | 0.0694 | null | null | null | null | null | 1.049 | null | null | has coordinates | Bodo Müller; Astrid Schneider; Markus Tesmer; Heinrich Vahrenkamp
Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase
Inorganic Chemistry
38
(1999)
1900-1907 | 295,934 | 2024-11-15 | 12:47:25 | #------------------------------------------------------------------------------
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2,008,723 | 17.862 | 0.001 | 17.862 | 0.001 | 17.862 | 0.001 | 90 | null | 90 | null | 90 | null | 5,698.9 | 0.6 | 295 | null | 293 | 2 | null | null | null | null | 4 | P a -3 | -P 2ac 2ab 3 | 205 | N,N',N''-Trimethyl-N,N',N''-tris(3-methylphenyl)-1,3,5- benzenetricarboxamide | - C33 H33 N3 O3 - | - C33 H33 N3 O3 - | - C264 H264 N24 O24 - | 8 | 0.333333 | SK1189 | Herbstein, Frank H. | <i>N</i>,<i>N</i>',<i>N</i>''-Trimethyl-<i>N</i>,<i>N</i>',<i>N</i>''-tris(3-methylphenyl)-1,3,5-benzenetricarboxamide is cubic (space group <i>Pa</i>øverline{3}) and not orthorhombic (space group <i>Pbca</i>). Erratum | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1196 | 10.1107/S0108270198013924 | 1.5405 | CuKα | null | 0.067 | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Herbstein, Frank H.
<i>N</i>,<i>N</i>',<i>N</i>''-Trimethyl-<i>N</i>,<i>N</i>',<i>N</i>''-tris(3-methylphenyl)-1,3,5-benzenetricarboxamide is cubic (space group <i>Pa</i>øverline{3}) and not orthorhombic (space group <i>Pbca</i>). Erratum
Acta Crystallographica Section C
55(7)
(1999)
1196 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,724 | 15.556 | 0.0012 | 15.556 | 0.0012 | 15.556 | 0.0012 | 90 | null | 90 | null | 90 | null | 3,764.4 | 0.5 | 193 | 2 | 193 | 2 | null | null | null | null | 6 | P 21 3 | P 2ac 2ab 3 | 198 | Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)ruthenate(III) | - C36 H24 N6 Na O12 Ru2 - | - C36 H24 N6 Na O12 Ru2 - | - C144 H96 N24 Na4 O48 Ru8 - | 4 | 0.333333 | SK1212 | Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W. | Three anionic polymeric networks: sodium(I)–ruthenium(III), sodium(I)–rhodium(III) and sodium(I)–aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1075 | 1079 | 10.1107/S0108270199003339 | 0.71073 | MoKα | 0.039 | 0.031 | null | null | null | 0.063 | null | null | null | null | null | 1.026 | null | null | has coordinates | Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.
Three anionic polymeric networks: sodium(I)–ruthenium(III), sodium(I)–rhodium(III) and sodium(I)–aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations
Acta Crystallographica Section C
55(7)
(1999)
1075-1079 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,725 | 15.515 | 0.002 | 15.515 | 0.002 | 15.515 | 0.002 | 90 | null | 90 | null | 90 | null | 3,734.7 | 0.8 | 296 | 2 | 296 | 2 | null | null | null | null | 7 | P 21 3 | P 2ac 2ab 3 | 198 | Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)rhodate(III) | - C36 H24 N6 Na O12 Rh Ru - | - C36 H24 N6 Na O12 Rh Ru - | - C144 H96 N24 Na4 O48 Rh4 Ru4 - | 4 | 0.333333 | SK1212 | Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W. | Three anionic polymeric networks: sodium(I)–ruthenium(III), sodium(I)–rhodium(III) and sodium(I)–aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1075 | 1079 | 10.1107/S0108270199003339 | 0.71073 | MoKα | 0.034 | 0.023 | null | null | null | 0.065 | null | null | null | null | null | 1.126 | null | null | has coordinates | Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.
Three anionic polymeric networks: sodium(I)–ruthenium(III), sodium(I)–rhodium(III) and sodium(I)–aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations
Acta Crystallographica Section C
55(7)
(1999)
1075-1079 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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4,321,928 | 12.763 | 0.008 | 14.058 | 0.007 | 11.602 | 0.008 | 90 | 0.05 | 90 | 0.05 | 90 | 0.04 | 2,082 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | Tetrahydrofurane/Dichloromethane/Petrolether 60/70 | 7 | P c a 21 | P 2c -2ac | 29 | (6-Methyl-pyridine-2-carbaldehyde)zinc-bis(pentafluorothiophenolate) | - C19 H7 F10 N O S2 Zn - | - C19 H7 F10 N O S2 Zn - | - C76 H28 F40 N4 O4 S8 Zn4 - | 4 | 1 | Bodo Müller; Astrid Schneider; Markus Tesmer; Heinrich Vahrenkamp | Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase | Inorganic Chemistry | 1,999 | 38 | 1900 | 1907 | 10.1021/ic981227m | 0.71073 | MoKα | 0.1723 | 0.0649 | null | null | 0.1461 | 0.194 | null | null | null | null | null | 1.089 | null | null | has coordinates | Bodo Müller; Astrid Schneider; Markus Tesmer; Heinrich Vahrenkamp
Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase
Inorganic Chemistry
38
(1999)
1900-1907 | 211,332 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,726 | 15.407 | 0.004 | 15.407 | 0.004 | 15.407 | 0.004 | 90 | null | 90 | null | 90 | null | 3,657.2 | 1.6 | 296 | 2 | 296 | 2 | null | null | null | null | 7 | P 21 3 | P 2ac 2ab 3 | 198 | Ruthenium(II)-tris(bipyridine)-sodium(I)-tris(μ-oxalato)aluminate(III) | - C36 H24 Al N6 Na O12 Ru - | - C36 H24 Al N6 Na O12 Ru - | - C144 H96 Al4 N24 Na4 O48 Ru4 - | 4 | 0.333333 | SK1212 | Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W. | Three anionic polymeric networks: sodium(I)‒ruthenium(III), sodium(I)‒rhodium(III) and sodium(I)‒aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1075 | 1079 | 10.1107/S0108270199003339 | 0.71073 | MoKα | 0.099 | 0.041 | null | null | null | 0.107 | null | null | null | null | null | 1.145 | null | null | has coordinates | Pellaux, Rene; Decurtins, Silvio; Schmalle, Helmut W.
Three anionic polymeric networks: sodium(I)‒ruthenium(III), sodium(I)‒rhodium(III) and sodium(I)‒aluminium(III) μ-oxalato complexes with tris(2,2'-bipyridine)ruthenium(II) cations
Acta Crystallographica Section C
55(7)
(1999)
1075-1079 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,727 | 6.36 | 0.001 | 9.059 | 0.002 | 13.224 | 0.002 | 90 | null | 90.4 | 0.02 | 90 | null | 761.9 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | Dipotassium tellurium trisulfide | - K2 S3 Te - | - K2 S3 Te - | - K8 S12 Te4 - | 4 | 1 | SK1244 | Rumpf, Christian; Näther, Christian; Bensch, Wolfgang | K~2~TeS~3~ | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1046 | 1047 | 10.1107/S0108270198018265 | 0.71073 | MoKα | 0.031 | 0.023 | null | 0.061 | 0.057 | null | null | null | 1.174 | 1.217 | 1.217 | null | null | null | has coordinates | Rumpf, Christian; Näther, Christian; Bensch, Wolfgang
K~2~TeS~3~
Acta Crystallographica Section C
55(7)
(1999)
1046-1047 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,728 | 10.395 | 0.002 | 13.32 | 0.003 | 21.162 | 0.002 | 90 | null | 100.414 | 0.009 | 90 | null | 2,881.9 | 0.9 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | [Diaquatetrachlorotetramethylditin] - [dichlorodimethyl(tris-2-pyridyl-1,3,5-triazine)tin] (1/2) | - C22 H26 Cl4 N6 O Sn2 - | - C22 H26 Cl4 N6 O Sn2 - | - C88 H104 Cl16 N24 O4 Sn8 - | 4 | 1 | SK1251 | Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng | Di-μ-chloro-bis(aquachlorodimethyltin)‒dichlorodimethyl[2,4,6-tris(2-pyridyl)-1,3,5-triazine]tin (1/2) | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1058 | 1061 | 10.1107/S0108270199004928 | 0.71073 | MoKα | 0.065 | 0.041 | null | null | null | 0.088 | null | null | null | null | null | 0.977 | null | null | has coordinates | Lo, Kong Mun; Kumar Das, V. G.; Ng, Seik Weng
Di-μ-chloro-bis(aquachlorodimethyltin)‒dichlorodimethyl[2,4,6-tris(2-pyridyl)-1,3,5-triazine]tin (1/2)
Acta Crystallographica Section C
55(7)
(1999)
1058-1061 | 198,932 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,008,729 | 26.28 | 0.004 | 26.285 | 0.003 | 18.449 | 0.002 | 90 | null | 102.696 | 0.01 | 90 | null | 12,432 | 3 | 136 | 2 | 136 | 2 | null | null | null | null | 3 | P 1 c 1 | P -2yc | 7 | 2,5-Diisopropylidene-3,4-bis-(2-methoxycarbonyl-2-methylpropoxycarbonyl)-hex- 3-enedioic acid bis(2-methoxycarbonyl-2-methylpropyl)ester | - C38 H56 O16 - | - C38 H56 O16 - | - C456 H672 O192 - | 12 | 6 | SK1272 | Bats, Jan W.; Rivas Nass, Andreas; Hashmi, A. Stephen K. | Low-temperature phase of bis(2-methoxycarbonyl-2-methylpropyl) 2,5-diisopropylidene-3,4-bis(2-methoxycarbonyl-2-methylpropoxycarbonyl)hex-3-enedioate, a crystal structure with six independent pseudo-related molecules | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1183 | 1186 | 10.1107/S0108270199003078 | 0.71073 | MoKα | 0.2369 | 0.078 | null | null | null | 0.157 | null | null | null | null | null | 1.011 | null | null | has coordinates,has Fobs | Bats, Jan W.; Rivas Nass, Andreas; Hashmi, A. Stephen K.
Low-temperature phase of bis(2-methoxycarbonyl-2-methylpropyl) 2,5-diisopropylidene-3,4-bis(2-methoxycarbonyl-2-methylpropoxycarbonyl)hex-3-enedioate, a crystal structure with six independent pseudo-related molecules
Acta Crystallographica Section C
55(7)
(1999)
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4,321,927 | 15.591 | 0.004 | 7.2274 | 0.0015 | 40.355 | 0.005 | 90 | 0.019 | 90 | 0.02 | 90 | 0.03 | 4,547.3 | 1.6 | 200 | 2 | 200 | 2 | null | null | null | null | 2,4,6-Trimethylbenzaldehyde/Petrolether 60/70 | 6 | P b c a | -P 2ac 2ab | 61 | catena-Poly{[(2,4,6-trimethylbenzaldehyde)pentafluorothiophenolato-zinc] -pentafluorothiophenolato}' | - C22 H12 F10 O S2 Zn - | - C22 H12 F10 O S2 Zn - | - C176 H96 F80 O8 S16 Zn8 - | 8 | 1 | Bodo Müller; Astrid Schneider; Markus Tesmer; Heinrich Vahrenkamp | Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase | Inorganic Chemistry | 1,999 | 38 | 1900 | 1907 | 10.1021/ic981227m | 0.71073 | MoKα | 0.1661 | 0.1285 | null | null | 0.3142 | 0.3462 | null | null | null | null | null | 1.112 | null | null | has coordinates | Bodo Müller; Astrid Schneider; Markus Tesmer; Heinrich Vahrenkamp
Alcohol and Aldehyde Adducts of Zinc Thiolates: Structural Modeling of Alcoholdehydrogenase
Inorganic Chemistry
38
(1999)
1900-1907 | 295,934 | 2024-11-15 | 12:47:25 | #------------------------------------------------------------------------------
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2,008,730 | 7.5028 | 0.0003 | 17.3288 | 0.0006 | 26.1306 | 0.0009 | 90 | null | 90 | null | 90 | null | 3,397.4 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 9-Hydroxy-4-methyl-8-phenylthio-7,8,9,10-tetrahydrobenzo[h]coumarin | - C20 H18 O3 S - | - C20 H18 O3 S - | - C160 H144 O24 S8 - | 8 | 2 | SK1273 | Kandasamy Chinnakali; Kamaraj Sriraghavan; Hoong-Kun Fun; Vayalakkavoor T. Ramakrishnan | 9-Hydroxy-4-methyl-8-phenylthio-7,8,9,10-tetrahydrobenzo[<i>h</i>]coumarin | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1125 | 1127 | 10.1107/S0108270199002814 | 0.71073 | MoKα | 0.111 | 0.065 | null | null | null | 0.158 | null | null | null | null | null | 1.132 | null | null | has coordinates | Kandasamy Chinnakali; Kamaraj Sriraghavan; Hoong-Kun Fun; Vayalakkavoor T. Ramakrishnan
9-Hydroxy-4-methyl-8-phenylthio-7,8,9,10-tetrahydrobenzo[<i>h</i>]coumarin
Acta Crystallographica Section C
55(7)
(1999)
1125-1127 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,731 | 13.4416 | 0.0004 | 6.4787 | 0.0002 | 21.7352 | 0.0006 | 90 | null | 104.065 | 0.001 | 90 | null | 1,836.05 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | (8RS-5SR-7SR)-7-Benzoyl-8-hydroxy-8-phenylspiro[4.5]decan-1-one | - C23 H24 O3 - | - C23 H24 O3 - | - C92 H96 O12 - | 4 | 1 | SK1274 | H. Surya Prakash Rao; K. Jayalakshmi; Kandasamy Chinnakali; Hoong-Kun Fun | (8<i>RS</i>,5<i>SR</i>,7<i>SR</i>)-7-Benzoyl-8-hydroxy-8-phenylspiro[4.5]decan-1-one | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1117 | 1119 | 10.1107/S0108270199002826 | 0.71073 | MoKα | 0.095 | 0.054 | null | null | null | 0.142 | null | null | null | null | null | 1.051 | null | null | has coordinates | H. Surya Prakash Rao; K. Jayalakshmi; Kandasamy Chinnakali; Hoong-Kun Fun
(8<i>RS</i>,5<i>SR</i>,7<i>SR</i>)-7-Benzoyl-8-hydroxy-8-phenylspiro[4.5]decan-1-one
Acta Crystallographica Section C
55(7)
(1999)
1117-1119 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,008,732 | 8.321 | 0.008 | 8.321 | 0.008 | 48.92 | 0.02 | 90 | null | 90 | null | 90 | null | 3,387 | 5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 43 21 2 | P 4nw 2abw | 96 | (R)-Spiro[(2R)-N-acetyl-2-phenyl-1,3-thiazolidine-5,3'-(3a'R,6a'S)- 5',6'-dimethyl-3a',6a'-dihydro-3H-furo[2,3-b]furan-2-one] | - C18 H19 N O4 S - | - C18 H19 N O4 S - | - C144 H152 N8 O32 S8 - | 8 | 1 | SK1275 | Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Barbosa, D. M.; Soares, M. I. L.; Pinho e Melo, T. M. V. D.; Rocha Gonsalves, A. M. d'A. | (<i>R</i>)-Spiro[(2<i>R</i>)-<i>N</i>-acetyl-2-phenyl-1,3-thiazolidine-4,3'-(3a'<i>R</i>,6a'<i>S</i>)-5',6a'-dimethyl-3a',-6a'-dihydro-3<i>H</i>-furo[2,3-<i>b</i>]furan-2-one] | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1094 | 1096 | 10.1107/S010827019900308X | 1.5418 | CuKα | 0.0518 | 0.0444 | null | null | null | 0.1212 | null | null | null | null | null | 1.048 | null | null | has coordinates,has Fobs | Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Barbosa, D. M.; Soares, M. I. L.; Pinho e Melo, T. M. V. D.; Rocha Gonsalves, A. M. d'A.
(<i>R</i>)-Spiro[(2<i>R</i>)-<i>N</i>-acetyl-2-phenyl-1,3-thiazolidine-4,3'-(3a'<i>R</i>,6a'<i>S</i>)-5',6a'-dimethyl-3a',-6a'-dihydro-3<i>H</i>-furo[2,3-<i>b</i>]f... | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
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2,008,733 | 14.752 | 0.005 | 23.919 | 0.008 | 12.505 | 0.006 | 90 | null | 90 | null | 90 | null | 4,412 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | C 2 2 21 | C 2c 2 | 20 | 3α,4β-Diacetoxy-17a-oxa-17a-homo-5α-androstan-17-one | - C23 H34 O6 - | - C23 H34 O6 - | - C184 H272 O48 - | 8 | 1 | SK1276 | Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S. | 17-Oxo-17a-oxa-17a-homo-5α-androstan-3α,4β-diyl diacetate | Acta Crystallographica Section C | 1,999 | 55 | 7 | 1186 | 1188 | 10.1107/S0108270199002838 | 0.7093 | MoKα | 0.1598 | 0.033 | null | null | null | 0.09 | null | null | null | null | null | 0.927 | null | null | has coordinates,has Fobs | Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.
17-Oxo-17a-oxa-17a-homo-5α-androstan-3α,4β-diyl diacetate
Acta Crystallographica Section C
55(7)
(1999)
1186-1188 | 301,791 | 2025-08-18 | 23:15:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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