file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,004,922 | 9.484 | 0.002 | 7.812 | 0.002 | 26.171 | 0.005 | 90 | null | 94.64 | 0.03 | 90 | null | 1,932.6 | 0.7 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 3,3-bis(2-imidazolyl)propionic acid hemihydrate | - C9 H11 N4 O2.5 - | - C9 H11 N4 O2.5 - | - C72 H88 N32 O20 - | 8 | 2 | PA1214 | Gimeno, B.; Sancho, A.; Soto, L.; Legros, J.-P. | 3,3-Bis(2-imidazolyl)propionic Acid Hemihydrate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1226 | 1228 | 10.1107/S0108270195016222 | 0.71069 | MoKα | null | 0.04 | null | null | 0.043 | null | null | null | null | 2.44 | 2.44 | null | null | null | has coordinates | Gimeno, B.; Sancho, A.; Soto, L.; Legros, J.-P.
3,3-Bis(2-imidazolyl)propionic Acid Hemihydrate
Acta Crystallographica Section C
52(5)
(1996)
1226-1228 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,923 | 9.16 | 0.006 | 7.819 | 0.005 | 9.57 | 0.004 | 80.49 | 0.05 | 113.72 | 0.04 | 98.97 | 0.05 | 615.9 | 0.7 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C13 H11 N O3 S - | - C13 H11 N O3 S - | - C26 H22 N2 O6 S2 - | 2 | 1 | PT1031 | Howie, R. A.; Wardell, J. L. | 4-Methoxyphenyl 2-Nitrophenyl Sulfide | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1228 | 1230 | 10.1107/S0108270195015587 | 0.71073 | MoKα | null | 0.032 | null | null | 0.037 | null | null | null | null | 1.24 | 1.24 | null | null | null | has coordinates | Howie, R. A.; Wardell, J. L.
4-Methoxyphenyl 2-Nitrophenyl Sulfide
Acta Crystallographica Section C
52(5)
(1996)
1228-1230 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,924 | 7.852 | 0.002 | 13.714 | 0.002 | 13.265 | 0.003 | 90 | null | 118.98 | 0.01 | 90 | null | 1,249.6 | 0.5 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C28 H16 Cu2 N8 O4 - | - C28 H16 Cu2 N8 O4 - | - C56 H32 Cu4 N16 O8 - | 2 | 0.5 | PT1036 | Parker, O. J.; Wolther, M. P.; Breneman, G. L. | Di-μ-isocyanato-bis[isocyanato(1,10-phenanthroline)copper(II)] | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1089 | 1091 | 10.1107/S0108270195016799 | 0.71073 | MoKα | null | 0.028 | null | null | 0.036 | null | null | null | null | 1.44 | 1.44 | null | null | null | has coordinates | Parker, O. J.; Wolther, M. P.; Breneman, G. L.
Di-μ-isocyanato-bis[isocyanato(1,10-phenanthroline)copper(II)]
Acta Crystallographica Section C
52(5)
(1996)
1089-1091 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,925 | 11.36 | 0.002 | 35.845 | 0.005 | 11.495 | 0.002 | 90 | null | 90.95 | 0.02 | 90 | null | 4,680.1 | 1.3 | 293 | null | null | null | null | null | null | null | 10 | P 1 21/n 1 | -P 2yn | 14 | - C48 H36 B Br Cl2 D10 F4 O P2 Pt - | - C49 H38 B Br Cl2 F4 P2 Pt - | - C196 H152 B4 Br4 Cl8 F16 P8 Pt4 - | 4 | 1 | SZ1018 | Klosin, J.; Jones, W. M.; Abboud, K. A. | Two Forms of Bromo(cycloheptatrienylidene)bis(triphenylphosphine)platinum(II) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1101 | 1104 | 10.1107/S010827019501016X | 0.71073 | MoKα | null | 0.0509 | null | null | 0.0578 | null | null | null | null | 1.57 | 1.57 | null | null | null | has coordinates | Klosin, J.; Jones, W. M.; Abboud, K. A.
Two Forms of Bromo(cycloheptatrienylidene)bis(triphenylphosphine)platinum(II)
Acta Crystallographica Section C
52(5)
(1996)
1101-1104 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,926 | 10.943 | 0.003 | 15.861 | 0.004 | 27.756 | 0.007 | 90 | null | 90 | null | 90 | null | 4,818 | 2 | 293 | null | null | null | null | null | null | null | 8 | P 21 21 21 | P 2ac 2ab | 19 | - C47 H44 B Br F4 O P2 Pt - | - C51 B Br F4 O2 P2 Pt - | - C204 B4 Br4 F16 O8 P8 Pt4 - | 4 | 1 | SZ1018 | Klosin, J.; Jones, W. M.; Abboud, K. A. | Two Forms of Bromo(cycloheptatrienylidene)bis(triphenylphosphine)platinum(II) | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1101 | 1104 | 10.1107/S010827019501016X | 0.71073 | MoKα | null | 0.0646 | null | null | 0.0736 | null | null | null | null | 2.05 | 2.05 | null | null | null | has coordinates | Klosin, J.; Jones, W. M.; Abboud, K. A.
Two Forms of Bromo(cycloheptatrienylidene)bis(triphenylphosphine)platinum(II)
Acta Crystallographica Section C
52(5)
(1996)
1101-1104 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,927 | 11.792 | 0.002 | 8.563 | 0.002 | 13.061 | 0.004 | 90 | null | 90 | null | 90 | null | 1,318.8 | 0.6 | 296 | 1 | 296 | 1 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C8 H12 Cl2 N4 Ru - | - C8 H12 Cl2 N4 Ru - | - C32 H48 Cl8 N16 Ru4 - | 4 | 0.5 | TA1049 | Bown, M.; Hockless, D. C. R. | <i>trans</i>-Tetrakis(acetonitrile)dichlororuthenium(II), [RuCl~2~(MeCN)~4~] | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1105 | 1106 | 10.1107/S0108270195015320 | 0.7107 | MoKα | null | 0.0208 | null | null | 0.0165 | null | null | null | null | 1.577 | 1.577 | null | null | null | has coordinates | Bown, M.; Hockless, D. C. R.
<i>trans</i>-Tetrakis(acetonitrile)dichlororuthenium(II), [RuCl~2~(MeCN)~4~]
Acta Crystallographica Section C
52(5)
(1996)
1105-1106 | 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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2,004,928 | 8.802 | 0.006 | 9.517 | 0.005 | 10.989 | 0.008 | 100.15 | 0.05 | 106.51 | 0.06 | 101.75 | 0.05 | 836.8 | 1 | 298 | null | 298 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | Trikis-(piperizinium) octamolybdate | - C12 H36 Mo8 N6 O27 - | - C12 H36 Mo8 N6 O27 - | - C12 H36 Mo8 N6 O27 - | 1 | 0.5 | TA1054 | Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J. | Tris(piperazinium) Octamolybdate, (C~4~H~12~N~2~)~3~[Mo~8~O~27~] | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1075 | 1077 | 10.1107/S0108270195015642 | 0.71073 | MolybdenumKα | 0.033 | 0.033 | null | 0.026 | 0.026 | null | null | null | 1.03 | 1.03 | 1.03 | null | null | null | has coordinates | Harrison, W. T. A.; Dussack, L. L.; Jacobson, A. J.
Tris(piperazinium) Octamolybdate, (C~4~H~12~N~2~)~3~[Mo~8~O~27~]
Acta Crystallographica Section C
52(5)
(1996)
1075-1077 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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4,322,226 | 10.027 | 0.003 | 11.713 | 0.003 | 26.821 | 0.009 | 90 | null | 93.85 | 0.02 | 90 | null | 3,142.9 | 1.6 | 23 | null | 23 | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C28 H34 Cl Co Mn N5 O9 - | - C112 H136 Cl4 Co4 Mn4 N20 O52 - | - C112 H136 Cl4 Co4 Mn4 N20 O52 - | null | null | Satoru Kita; Hideki Furutachi; Hisashi Ōkawa | (μ-Phenoxo)2CoIIMII (M = Mn, Co, Zn) Complexes with a Co(salen) Entity in a Macrocyclic Framework: Core Structures and Neighboring MII Effects upon Oxygenation at the Co(salen) Center | Inorganic Chemistry | 1,999 | 38 | 4038 | 4045 | 10.1021/ic9809456 | 0.7107 | MoKalpha | null | 0.054 | null | null | 0.09 | null | null | null | null | 2.15 | 2.15 | null | null | null | has coordinates | Satoru Kita; Hideki Furutachi; Hisashi Ōkawa
(μ-Phenoxo)2CoIIMII (M = Mn, Co, Zn) Complexes with a Co(salen) Entity in a Macrocyclic Framework: Core Structures and Neighboring MII Effects upon Oxygenation at the Co(salen) Center
Inorganic Chemistry
38
(1999)
4038-4045 | 189,896 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 189896 $
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2,004,929 | 9.734 | 0.001 | 17.075 | 0.001 | 9.764 | 0.001 | 90 | null | 96.4 | 0.01 | 90 | null | 1,612.7 | 0.3 | 295 | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | 2-(trimethylsilyl)-3-methyl-3H-benz[f]indolyl-3-hydroperoxide | - C16 H19 N O2 Si - | - C16 H19 N O2 Si - | - C64 H76 N4 O8 Si4 - | 4 | 2 | TA1061 | Morales, G. A.; Fronczek, F. R. | A Kryptoracemic Hydroperoxide | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1266 | 1268 | 10.1107/S010827019501537X | 1.54184 | CuKα | null | 0.041 | null | null | 0.048 | null | null | null | null | 2.146 | 2.146 | null | null | null | has coordinates | Morales, G. A.; Fronczek, F. R.
A Kryptoracemic Hydroperoxide
Acta Crystallographica Section C
52(5)
(1996)
1266-1268 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,930 | 8.075 | 0.003 | 8.382 | 0.002 | 22.978 | 0.007 | 90 | null | 90 | null | 90 | null | 1,555.3 | 0.8 | 133 | 2 | 133 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | (1R,2S,4R)-2-benzoyloxy-4-methoxy-5-(1-methylethyl)-6,8- dioxabicyclo[3.2.1]octane | - C17 H24 O4 - | - C17 H24 O4 - | - C68 H96 O16 - | 4 | 1 | TA1065 | Gainsford, G. J.; Tyler, P. C.; Furneaux, R. H. | (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane and (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1274 | 1277 | 10.1107/S0108270195015964 | 0.71069 | MoKα | 0.0688 | 0.0524 | null | 0.1316 | 0.1231 | null | null | null | 1.041 | 1.11 | 1.11 | null | null | null | has coordinates | Gainsford, G. J.; Tyler, P. C.; Furneaux, R. H.
(1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane and (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane
Acta Crystallographica Section C
52(5)
(1996)
1274-1277 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,004,931 | 5.934 | 0.003 | 6.907 | 0.003 | 32.751 | 0.018 | 90 | null | 90 | null | 90 | null | 1,342.3 | 1.2 | 133 | 2 | 133 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 1,6-anhydro-4-O-benzyl-3-deoxy-4-C-methyl-2-O-methyl-β-D-ribo-hexopyranose | - C15 H20 O4 - | - C15 H20 O4 - | - C60 H80 O16 - | 4 | 1 | TA1065 | Gainsford, G. J.; Tyler, P. C.; Furneaux, R. H. | (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane and (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1274 | 1277 | 10.1107/S0108270195015964 | 0.71069 | MoKα | 0.0969 | 0.0585 | null | 0.1374 | 0.1131 | null | null | null | 0.983 | 1.094 | 1.094 | null | null | null | has coordinates | Gainsford, G. J.; Tyler, P. C.; Furneaux, R. H.
(1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane and (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane
Acta Crystallographica Section C
52(5)
(1996)
1274-1277 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,004,932 | 8.978 | 0.002 | 8.689 | 0.002 | 10.702 | 0.002 | 90 | null | 106.98 | 0.03 | 90 | null | 798.5 | 0.3 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C14 H24 N2 O4 - | - C14 H24 N2 O4 - | - C28 H48 N4 O8 - | 2 | 0.5 | VJ1033 | Zhang, S.-W.; Liu, Q.; Wei, Y. G.; Shao, M.-C. | Anti-Cancer Agents. I. <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraacetylhexamethylenediamine | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1238 | 1239 | 10.1107/S0108270195014892 | 0.71073 | MoKα | null | 0.0563 | null | null | 0.0534 | null | null | null | null | 0.5 | 0.5 | null | null | null | has coordinates | Zhang, S.-W.; Liu, Q.; Wei, Y. G.; Shao, M.-C.
Anti-Cancer Agents. I. <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetraacetylhexamethylenediamine
Acta Crystallographica Section C
52(5)
(1996)
1238-1239 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,933 | 31.208 | 0.002 | 8.7588 | 0.0004 | 10.9435 | 0.0011 | 90 | null | 101.706 | 0.003 | 90 | null | 2,929.1 | 0.4 | 298 | null | null | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | - C17 H24 O2 - | - C17 H24 O2 - | - C136 H192 O16 - | 8 | 1 | CF1040 | Harmata, M.; Elomari, S.; Barnes, C. L. | (±)-(3a<i>R</i>*,6<i>S</i>*,7<i>S</i>*,14a<i>R</i>*)-2,3,3a,7,8,9,10,11,12,13,14,14a-Dodecahydro-1<i>H</i>,6<i>H</i>-3a,6-epoxy-7,14a-methanocyclopentacyclotridecen-15-one | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1209 | 1211 | 10.1107/S0108270195015782 | 1.54184 | CuKα | null | 0.054 | null | null | 0.09 | null | null | null | null | 3.18 | 3.18 | null | null | null | has coordinates | Harmata, M.; Elomari, S.; Barnes, C. L.
(±)-(3a<i>R</i>*,6<i>S</i>*,7<i>S</i>*,14a<i>R</i>*)-2,3,3a,7,8,9,10,11,12,13,14,14a-Dodecahydro-1<i>H</i>,6<i>H</i>-3a,6-epoxy-7,14a-methanocyclopentacyclotridecen-15-one
Acta Crystallographica Section C
52(5)
(1996)
1209-1211 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,934 | 7.701 | 0.002 | 40.02 | 0.005 | 4.6437 | 0.0006 | 90 | null | 107.34 | 0.01 | 90 | null | 1,366.1 | 0.4 | 123 | null | 123 | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | - C11 H28 Cl N O - | - C11 H28 Cl N O - | - C44 H112 Cl4 N4 O4 - | 4 | 1 | CF1038 | Silver, J.; Martin, S.; Marsh, P. J.; Frampton, C. S. | <i>n</i>-Undecylammonium Chloride Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 5 | 1261 | 1263 | 10.1107/S0108270195015770 | 0.7107 | MoKα | null | 0.0293 | null | null | 0.0324 | null | null | null | null | 1.67 | 1.67 | null | null | null | has coordinates | Silver, J.; Martin, S.; Marsh, P. J.; Frampton, C. S.
<i>n</i>-Undecylammonium Chloride Monohydrate
Acta Crystallographica Section C
52(5)
(1996)
1261-1263 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,935 | 7.802 | 0.003 | 12.138 | 0.002 | 14.748 | 0.002 | 95.77 | 0.01 | 99.33 | 0.02 | 104.28 | 0.02 | 1,321.1 | 0.6 | 293 | null | 293 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | (Me~3~TTF)~2~C(OH)Me | [1,1'-bis(3',4,4'-trimethyl-tetrathiafulvalen-3-yl)] hemi-ethanol solvate | - C21 H25 O1.5 S8 - | - C22 H22 O2 S8 - | - C44 H44 O4 S16 - | 2 | 1 | AB1303 | Dolbecq, A.; Fourmigué, M.; Batail, P. | 1,1-Bis(3',4,4'-trimethyltetrathiafulvalen-3-yl)ethanol Ethanol Hemisolvate; a New Bifunctional π-Donor Molecule | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1543 | 1545 | 10.1107/S0108270196000509 | 0.71073 | MoKα | 0.094 | 0.053 | null | 0.081 | 0.057 | null | null | null | 1.527 | 1.373 | 1.373 | null | null | null | has coordinates | Dolbecq, A.; Fourmigué, M.; Batail, P.
1,1-Bis(3',4,4'-trimethyltetrathiafulvalen-3-yl)ethanol Ethanol Hemisolvate; a New Bifunctional π-Donor Molecule
Acta Crystallographica Section C
52(6)
(1996)
1543-1545 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/49/2004935.cif $
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2,004,936 | 9.692 | 0.003 | 13.232 | 0.004 | 29.968 | 0.007 | 90 | null | 91.31 | 0.03 | 90 | null | 3,842.2 | 1.9 | 178 | 2 | 178 | 2 | null | null | null | null | 2 | P 1 21/c 1 | -P 2ybc | 14 | (Z)-2,3-Bis-4'-[2.2.2]paracyclophanyl-but-2-ene | - C52 H52 - | - C52 H52 - | - C208 H208 - | 4 | 1 | AB1325 | Jones, P. G.; Bubenitschek, P.; Heirtzler, F.; Hopf, H. | (<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene and μ-η6:η6-[(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene]-bis[(hexafluoroantimonato-<i>F</i>)silver(I)] Toluene Dichloromethane (1/1/1) | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1380 | 1384 | 10.1107/S0108270195017008 | 0.71073 | MoKα | 0.1151 | 0.0693 | null | 0.1957 | 0.1506 | null | null | null | 1.069 | 1.075 | 1.075 | null | null | null | has coordinates | Jones, P. G.; Bubenitschek, P.; Heirtzler, F.; Hopf, H.
(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene and μ-η6:η6-[(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene]-bis[(hexafluoroantimonato-<i>F</i>)silver(I)] Toluene Dichloromethane (1/1/1)
Acta Crystallographica Section C
52(6)
(1996)
1380-1384 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/49/2004936.cif $
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7,106,513 | 6.941 | 0.006 | 7.13 | 0.006 | 18.45 | 0.015 | 90.096 | 0.01 | 90.099 | 0.012 | 90.035 | 0.012 | 913.1 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 | P 1 | 1 | - C18 H16 Br2 O2 S - | - C18 H16 Br2 O2 S - | - C36 H32 Br4 O4 S2 - | 2 | 2 | Shengcai Zheng; Weiwing Huang; Ning Gao; Ruimin Cui; Min Zhang; Xiaoming Zhao | One Pot Iridium-Catalyzed Asymmetrical Double Allylations of Sodium Sulfide:a Fast and Economic Way to Construct Chiral C2-Symmetric Bis(1-Substituted-Allyl)Sulfane | Chem.Commun. | 2,011 | 47 | 6969 | 10.1039/c1cc11930c | 0.71073 | MoKα | 0.0942 | 0.0775 | null | null | 0.2218 | 0.2412 | null | null | null | null | null | 1.06 | null | null | has coordinates | Shengcai Zheng; Weiwing Huang; Ning Gao; Ruimin Cui; Min Zhang; Xiaoming Zhao
One Pot Iridium-Catalyzed Asymmetrical Double Allylations of Sodium Sulfide:a Fast and Economic Way to Construct Chiral C2-Symmetric Bis(1-Substituted-Allyl)Sulfane
Chem.Commun.
47
(2011)
6969 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106513.cif $
#-------------------------------------------------------------------... | ||||||||||||||
2,004,937 | 17.288 | 0.003 | 12.159 | 0.002 | 27.527 | 0.004 | 90 | null | 97.06 | 0.02 | 90 | null | 5,742.4 | 1.6 | 163 | 2 | 163 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | {(Z)-2,3-Bis-4'-[2.2.2]paracyclophanyl-but-2-ene}-bis{silver(I) hexafluoroantimonate toluene dichloromethane (1:1:1) | - C60 H62 Ag2 Cl2 F12 Sb2 - | - C60 H59 Ag2 Cl2 F12 Sb2 - | - C240 H236 Ag8 Cl8 F48 Sb8 - | 4 | 0.5 | AB1325 | Jones, P. G.; Bubenitschek, P.; Heirtzler, F.; Hopf, H. | (<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene and μ-η6:η6-[(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene]-bis[(hexafluoroantimonato-<i>F</i>)silver(I)] Toluene Dichloromethane (1/1/1) | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1380 | 1384 | 10.1107/S0108270195017008 | 0.71073 | MoKα | 0.0523 | 0.0429 | null | 0.1131 | 0.0994 | null | null | null | 1.052 | 1.046 | 1.046 | null | null | null | has coordinates,has disorder | Jones, P. G.; Bubenitschek, P.; Heirtzler, F.; Hopf, H.
(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene and μ-η6:η6-[(<i>Z</i>)-2,3-Bis(4'-[2.2.2]paracyclophanyl)but-2-ene]-bis[(hexafluoroantimonato-<i>F</i>)silver(I)] Toluene Dichloromethane (1/1/1)
Acta Crystallographica Section C
52(6)
(1996)
1380-1384 | 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/2/00/49/2004937.cif $
#-------------------------------------------------------------------... | ||||||||||
2,004,938 | 14.8208 | 0.0012 | 8.1939 | 0.0004 | 17.4844 | 0.0009 | 90 | null | 91.185 | 0.004 | 90 | null | 2,122.9 | 0.2 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | N,N-dibenzoyl-2-phenylbenzylamine | - C27 H21 N O2 - | - C27 H21 N O2 - | - C108 H84 N4 O8 - | 4 | 1 | AB1326 | Blake, A. J.; Cullen, K. E.; Sharp, J. T. | <i>N</i>,<i>N</i>-Dibenzoyl-2-phenylbenzylamine | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1546 | 1548 | 10.1107/S0108270195017033 | 0.71073 | MoKα | 0.0558 | 0.0347 | null | 0.1044 | 0.0936 | null | null | null | 1.034 | 1.086 | 1.086 | null | null | null | has coordinates | Blake, A. J.; Cullen, K. E.; Sharp, J. T.
<i>N</i>,<i>N</i>-Dibenzoyl-2-phenylbenzylamine
Acta Crystallographica Section C
52(6)
(1996)
1546-1548 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/49/2004938.cif $
#-------------------------------------------------------------------... | ||||||||||
2,004,939 | 26.319 | 0.007 | 16.313 | 0.004 | 17.842 | 0.004 | 90 | null | 90 | null | 90 | null | 7,660 | 3 | 178 | 2 | 178 | 2 | null | null | null | null | 2 | F d d 2 | F 2 -2d | 43 | 1,4-bis-4'-[2.2.2]Paracyclophanyl-buta-1,3-diyne | - C52 H46 - | - C52 H46 - | - C416 H368 - | 8 | 0.5 | AB1332 | Jones, P. G.; Heirtzler, F.; Hopf, H. | 1,4-Bis(4'-[2.2.2]paracyclophanyl)buta-1,3-diyne and its Bis[silver(I) hexafluoroantimonate] Complex | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1384 | 1388 | 10.1107/S0108270195016994 | 0.71073 | MoKα | 0.0916 | 0.0411 | null | 0.1182 | 0.0902 | null | null | null | 0.989 | 1.016 | 1.016 | null | null | null | has coordinates | Jones, P. G.; Heirtzler, F.; Hopf, H.
1,4-Bis(4'-[2.2.2]paracyclophanyl)buta-1,3-diyne and its Bis[silver(I) hexafluoroantimonate] Complex
Acta Crystallographica Section C
52(6)
(1996)
1384-1388 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/49/2004939.cif $
#-------------------------------------------------------------------... | ||||||||||
2,004,940 | 13.662 | 0.005 | 11.267 | 0.005 | 18.225 | 0.007 | 90 | null | 105.83 | 0.03 | 90 | null | 2,699 | 1.9 | 143 | 2 | 143 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | {(1,4-bis-4'-[2.2.2]Paracyclophanyl-buta-1,3-diyne)bis(silver(I)} Bis-Hexafluoroantimonate Dichloromethane Solvate (1:2) | - C54 H50 Ag2 Cl4 F12 Sb2 - | - C54 H50 Ag2 Cl4 F12 Sb2 - | - C108 H100 Ag4 Cl8 F24 Sb4 - | 2 | 0.5 | AB1332 | Jones, P. G.; Heirtzler, F.; Hopf, H. | 1,4-Bis(4'-[2.2.2]paracyclophanyl)buta-1,3-diyne and its Bis[silver(I) hexafluoroantimonate] Complex | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1384 | 1388 | 10.1107/S0108270195016994 | 0.71073 | MoKα | 0.1038 | 0.0662 | null | 0.1824 | 0.1466 | null | null | null | 1.044 | 1.063 | 1.063 | null | null | null | has coordinates | Jones, P. G.; Heirtzler, F.; Hopf, H.
1,4-Bis(4'-[2.2.2]paracyclophanyl)buta-1,3-diyne and its Bis[silver(I) hexafluoroantimonate] Complex
Acta Crystallographica Section C
52(6)
(1996)
1384-1388 | 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/2/00/49/2004940.cif $
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2,004,941 | 9.781 | 0.002 | 10.597 | 0.002 | 20.216 | 0.004 | 101.49 | 0.03 | 93.85 | 0.03 | 109.53 | 0.03 | 1,914.8 | 0.8 | 193 | 2 | 193 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Tetrakis(diphenylamido)hafnium | Tetrakis(diphenylamido)hafnium | - C48 H40 Hf N4 - | - C48 H40 Hf N4 - | - C96 H80 Hf2 N8 - | 2 | 1 | AB1336 | Polamo, M.; Mutikainen, I.; Leskelä, M. | Tetrakis(diphenylamido-<i>N</i>)hafnium | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1348 | 1350 | 10.1107/S0108270196001035 | 0.71073 | MoKα | 0.032 | 0.0305 | null | 0.0757 | 0.0741 | null | null | null | 1.038 | 1.037 | 1.037 | null | null | null | has coordinates | Polamo, M.; Mutikainen, I.; Leskelä, M.
Tetrakis(diphenylamido-<i>N</i>)hafnium
Acta Crystallographica Section C
52(6)
(1996)
1348-1350 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,004,942 | 6.9936 | 0.0006 | 13.1255 | 0.0012 | 17.988 | 0.006 | 90 | null | 90 | null | 90 | null | 1,651.2 | 0.6 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | Diiodobis(phenylsulfonyl)methane | - C13 H10 I2 O4 S2 - | - C13 H10 I2 O4 S2 - | - C52 H40 I8 O16 S8 - | 4 | 1 | AB1343 | Glidewell, C.; Ferguson, G.; Nikas, S.; Varvoglis, A. | Accurate Redetermination of Diiodobis(phenylsulfonyl)methane, (PhSO~2~)~2~CI~2~ | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1488 | 1490 | 10.1107/S0108270195016647 | 0.7107 | MolybdenumKα | 0.0964 | 0.0481 | null | 0.1115 | 0.1001 | null | null | null | 0.961 | 1.125 | 1.125 | null | null | null | has coordinates | Glidewell, C.; Ferguson, G.; Nikas, S.; Varvoglis, A.
Accurate Redetermination of Diiodobis(phenylsulfonyl)methane, (PhSO~2~)~2~CI~2~
Acta Crystallographica Section C
52(6)
(1996)
1488-1490 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/49/2004942.cif $
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2,004,943 | 18.629 | 0.002 | 18.629 | 0.002 | 29.863 | 0.005 | 90 | null | 90 | null | 120 | null | 8,975 | 2 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 7 | R -3 :H | -R 3 | 148 | Tris(1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane)ruthenium(II) bis(hexafluorophosphate) dihydrate methanol solvate | - C37 H80 F12 O15 P2 Ru S6 - | - C36.99 H79.94 F12 O14.98 P2 Ru S6 - | - C221.94 H479.64 F72 O89.88 P12 Ru6 S36 - | 6 | 0.333333 | AB1354 | Blake, A. J.; Radek, C.; Schröder, M. | Tris(1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane-<i>S</i>,<i>S</i>')ruthenium(II) Bis(hexafluorophosphate)‒Water‒Methanol (1/2/1) | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1401 | 1403 | 10.1107/S0108270196001497 | 0.71073 | MoKα | 0.0453 | 0.0361 | null | 0.1275 | 0.1002 | null | null | null | 1.039 | 1.052 | 1.052 | null | null | null | has coordinates | Blake, A. J.; Radek, C.; Schröder, M.
Tris(1,4,7,10-tetraoxa-13,16-dithiacyclooctadecane-<i>S</i>,<i>S</i>')ruthenium(II) Bis(hexafluorophosphate)‒Water‒Methanol (1/2/1)
Acta Crystallographica Section C
52(6)
(1996)
1401-1403 | 191,017 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-27 12:59:36 +0200 (Fri, 27 Jan 2017) $
#$Revision: 191017 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/49/2004943.cif $
#-------------------------------------------------------------------... | ||||||||||
7,106,512 | 12.293 | 0.0012 | 16.142 | 0.007 | 17.387 | 0.004 | 92.43 | 0.03 | 95.969 | 0.009 | 99.74 | 0.02 | 3,375.7 | 1.7 | 150 | 2 | 150 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C94 H138 Mo8 N16 O31 Ru2 S5 - | - C94 H108 Mo8 N16 O31 Ru2 S5 - | - C94 H108 Mo8 N16 O31 Ru2 S5 - | 1 | 0.5 | Kirsten Heussner; Katrin Peuntinger; Nils Rockstroh; Leanne C. Nye; Ivana Ivanovic-Burmazovic; Sven Rau | Solution and solid-state interactions in a supramolecular ruthenium photosensitizer-polyoxometalate aggregate | Chem.Commun. | 2,011 | 47 | 6852 | 10.1039/c1cc11859e | 0.71073 | MoKα | 0.0673 | 0.0492 | null | null | 0.146 | 0.1571 | null | null | null | null | null | 1.09 | null | null | has coordinates | Kirsten Heussner; Katrin Peuntinger; Nils Rockstroh; Leanne C. Nye; Ivana Ivanovic-Burmazovic; Sven Rau
Solution and solid-state interactions in a supramolecular ruthenium photosensitizer-polyoxometalate aggregate
Chem.Commun.
47
(2011)
6852 | 180,169 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180169 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106512.cif $
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2,004,944 | 7.386 | 0.001 | 11.81 | 0.001 | 17.197 | 0.002 | 90 | null | 90 | null | 90 | null | 1,500.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | p-N,N-Dimethylaminobenzaldehyde Isonicotinylhydrazone Monohydrate. | - C15 H18 N4 O2 - | - C15 H18 N4 O2 - | - C60 H72 N16 O8 - | 4 | 1 | AS1221 | Fun, H.-K.; Sivakumar, K.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z. | <i>p</i>-(Dimethylamino)benzaldehyde Isonicotinoylhydrazone Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1505 | 1507 | 10.1107/S0108270196000303 | 0.71073 | MoKα | 0.0536 | 0.0336 | null | 0.0864 | 0.0789 | null | null | null | 0.928 | 1.049 | 1.049 | null | null | null | has coordinates | Fun, H.-K.; Sivakumar, K.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.
<i>p</i>-(Dimethylamino)benzaldehyde Isonicotinoylhydrazone Monohydrate
Acta Crystallographica Section C
52(6)
(1996)
1505-1507 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/49/2004944.cif $
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2,004,945 | 6.417 | 0.001 | 8.378 | 0.001 | 12.503 | 0.002 | 94.02 | 0.01 | 92.19 | 0.01 | 91.66 | 0.01 | 669.7 | 0.17 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | p-Nitrobenzaldehyde Nictonylhydrazone Monohydrate. | - C13 H12 N4 O4 - | - C13 H12 N4 O4 - | - C26 H24 N8 O8 - | 2 | 1 | AS1222 | Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.; Fun, H.-K.; Sivakumar, K. | <i>p</i>-Nitrobenzaldehyde Nicotinoylhydrazone Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1507 | 1509 | 10.1107/S0108270195016702 | 0.71073 | MoKα | 0.0624 | 0.0486 | null | 0.1599 | 0.1492 | null | null | null | 1.108 | 1.22 | 1.22 | null | null | null | has coordinates | Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.
<i>p</i>-Nitrobenzaldehyde Nicotinoylhydrazone Monohydrate
Acta Crystallographica Section C
52(6)
(1996)
1507-1509 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/49/2004945.cif $
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2,004,946 | 11.6086 | 0.0015 | 7.7966 | 0.0009 | 15.2545 | 0.0014 | 90 | null | 104.52 | 0.007 | 90 | null | 1,336.6 | 0.3 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C13 H12 I N O2 S - | - C13 H12 I N O2 S - | - C52 H48 I4 N4 O8 S4 - | 4 | 1 | BK1198 | Protasiewicz, J. D. | (Tosyliminoiodo)benzene at 298K | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1570 | 1572 | 10.1107/S0108270195016659 | 0.71073 | MoKα | 0.0385 | 0.028 | null | 0.106 | 0.0598 | null | null | null | 1.11 | 1.147 | 1.147 | null | null | null | has coordinates | Protasiewicz, J. D.
(Tosyliminoiodo)benzene at 298K
Acta Crystallographica Section C
52(6)
(1996)
1570-1572 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/49/2004946.cif $
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2,004,947 | 14.498 | 0.005 | 9.263 | 0.003 | 14.703 | 0.004 | 90 | null | 103.16 | 0.02 | 90 | null | 1,922.7 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | DADLE HCl | [D-Ala^2^,D-Leu^5^]-enkephalin hydrochloride | - C33 H48 Cl N5 O8 - | - C33 H47 Cl N5 O8 - | - C66 H94 Cl2 N10 O16 - | 2 | 1 | BK1199 | Deschamps, J. R.; George, C.; Flippen-Anderson, J. L. | [ <small>D</small>-Ala^2^, <small>D</small>-Leu^5^]-Enkephalin Hydrochloride | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1583 | 1585 | 10.1107/S0108270196000534 | 1.54178 | CuKα | 0.1279 | 0.0811 | null | 0.2138 | 0.1824 | null | null | null | 1.094 | 1.236 | 1.236 | null | null | null | has coordinates,has disorder | Deschamps, J. R.; George, C.; Flippen-Anderson, J. L.
[ <small>D</small>-Ala^2^, <small>D</small>-Leu^5^]-Enkephalin Hydrochloride
Acta Crystallographica Section C
52(6)
(1996)
1583-1585 | 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/2/00/49/2004947.cif $
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2,004,948 | 6.752 | 0.001 | 12.44 | 0.001 | 16.251 | 0.001 | 90 | null | 90 | null | 90 | null | 1,365 | 0.2 | 293 | null | 293 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | β-isopipitzol | (1R,3R,6r,11R)-1,2,2,6,-tetramethyl-8-hydroxytriciclo[5.2.2.0^3,11^] undec-7-en-9,10-dione | - C15 H20 O3 - | - C15 H20 O3 - | - C60 H80 O12 - | 4 | 1 | BK1206 | Hernández-Ortega, S.; Yuste, F.; Ortiz, B.; Barrios, H.; Sánchez-Obregón, R.; Walls, F. | β-Isopipitzol | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1452 | 1454 | 10.1107/S0108270195015988 | 1.5418 | CuKα | 0.0619 | 0.057 | null | 0.0823 | 0.075 | null | null | null | null | 1.32 | 1.32 | null | null | null | has coordinates | Hernández-Ortega, S.; Yuste, F.; Ortiz, B.; Barrios, H.; Sánchez-Obregón, R.; Walls, F.
β-Isopipitzol
Acta Crystallographica Section C
52(6)
(1996)
1452-1454 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,004,949 | 10.082 | 0.002 | 10.912 | 0.002 | 12.228 | 0.002 | 98.105 | 0.015 | 108.339 | 0.014 | 106.541 | 0.015 | 1,184.1 | 0.4 | 130 | 2 | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | 5,8-Bis(trimethylsilyl)-6,7-dihydroindeno[2,1c]fluorene | - C26 H32 Si2 - | - C26 H32 Si2 - | - C52 H64 Si4 - | 2 | 1 | BK1209 | Olmstead, M. M.; Hitchcock, S. R.; Nantz, M. H. | Cyclohexane-Linked Indenyl Rings in 5,8-Bis(trimethylsilyl)-6,7,12b,12c-tetrahydroindeno[2,1-<i>c</i>]fluorene | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1523 | 1525 | 10.1107/S0108270196000054 | 0.71073 | MoKα | 0.0708 | 0.052 | null | 0.1357 | 0.1231 | null | null | null | 1.034 | 1.071 | 1.071 | null | null | null | has coordinates | Olmstead, M. M.; Hitchcock, S. R.; Nantz, M. H.
Cyclohexane-Linked Indenyl Rings in 5,8-Bis(trimethylsilyl)-6,7,12b,12c-tetrahydroindeno[2,1-<i>c</i>]fluorene
Acta Crystallographica Section C
52(6)
(1996)
1523-1525 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,950 | 14.963 | 0.006 | 6.093 | 0.003 | 12.228 | 0.005 | 90 | null | 100.14 | 0.02 | 90 | null | 1,097.4 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | (4aRS,4bSR,6RS,8aRS,8bSR) 6-methyl-3,4,4a,4b,5,6,7,8,8a,8b-decahydro- 2H-benzofuro[2,3,b]pyran | - C12 H20 O2 - | - C12 H20 O2 - | - C48 H80 O8 - | 4 | 1 | BM1023 | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P. | New Routes to Pyranotetrahydrofuran Derivatives | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1530 | 1532 | 10.1107/S0108270195014405 | 1.54178 | CuKα | 0.0607 | 0.054 | null | 0.1109 | 0.1064 | null | null | null | 1.222 | 1.227 | 1.227 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.
New Routes to Pyranotetrahydrofuran Derivatives
Acta Crystallographica Section C
52(6)
(1996)
1530-1532 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,951 | 15.875 | 0.009 | 13.09 | 0.01 | 13.771 | 0.008 | 90 | null | 90 | null | 90 | null | 2,862 | 3 | 153 | null | 153 | null | null | null | null | null | 5 | P c a 21 | P 2c -2ac | 29 | - C17 H11 N O3 S - | - C17 H11 N O3 S - | - C136 H88 N8 O24 S8 - | 8 | 2 | BM1049 | Alves, J. A. C.; Brigas, A. F.; Johnstone, R. A. W. | 3-(1-Naphthyloxy)-1,2-benzisothiazole 1,1-Dioxide: Electronic Effects of Conjugation | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1576 | 1579 | 10.1107/S0108270196000935 | 0.7107 | MoKα | null | 0.0449 | null | null | 0.0491 | null | null | null | null | 1.586 | 1.586 | null | null | null | has coordinates | Alves, J. A. C.; Brigas, A. F.; Johnstone, R. A. W.
3-(1-Naphthyloxy)-1,2-benzisothiazole 1,1-Dioxide: Electronic Effects of Conjugation
Acta Crystallographica Section C
52(6)
(1996)
1576-1579 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,952 | 7.204 | 0.001 | 11.752 | 0.002 | 15.057 | 0.001 | 103.14 | 0.01 | 98.37 | 0.01 | 92.45 | 0.01 | 1,224.3 | 0.3 | 295 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C14 H22 Co N4 O20 - | - C14 H22 Co N4 O20 - | - C28 H44 Co2 N8 O40 - | 2 | 1 | BM1053 | Tahir, M. N.; Ülkü, D.; Mövsümov, E. M. | Tetraaquabis(3,5-dinitrobenzoato-<i>O</i>)cobalt(II) Tetrahydrate | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1392 | 1394 | 10.1107/S010827019600128X | 0.71073 | MoKα | null | 0.036 | null | null | 0.042 | null | null | null | null | 1.27 | 1.27 | null | null | null | has coordinates | Tahir, M. N.; Ülkü, D.; Mövsümov, E. M.
Tetraaquabis(3,5-dinitrobenzoato-<i>O</i>)cobalt(II) Tetrahydrate
Acta Crystallographica Section C
52(6)
(1996)
1392-1394 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,953 | 13.702 | 0.002 | 12.498 | 0.002 | 7.894 | 0.001 | 90 | null | 90 | null | 90 | null | 1,351.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 2 | P n m a | -P 2ac 2n | 62 | Hexaiododisilane | Hexaiododisilane | - I6 Si2 - | - I6 Si2 - | - I24 Si8 - | 4 | 0.5 | BR1117 | Jansen, M.; Friede, B. | Hexaiododisilane | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1333 | 1334 | 10.1107/S0108270196000820 | 0.71073 | MoKα | 0.071 | 0.0608 | null | 0.1712 | 0.165 | null | null | null | 1.232 | 1.306 | 1.306 | null | null | null | has coordinates | Jansen, M.; Friede, B.
Hexaiododisilane
Acta Crystallographica Section C
52(6)
(1996)
1333-1334 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,954 | 13.298 | 0.002 | 10.08 | 0.002 | 13.637 | 0.004 | 90 | null | 92.39 | 0.02 | 90 | null | 1,826.4 | 0.7 | 292 | null | 292 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Sr (ReO4)2 . 2H2O | - H4 O10 Re2 Sr - | - H4 O10 Re2 Sr - | - H32 O80 Re16 Sr8 - | 8 | 2 | BR1122 | Todorov, T.; Angelova, O.; Macícek, J. | The Covert Water in the Structure of Sr(ReO~4~)~2~.2H~2~O: a Revision of the Sesquihydrate Model | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1319 | 1323 | 10.1107/S0108270195016362 | 0.71073 | MoKα | 0.102 | 0.038 | null | 0.191 | 0.05 | null | null | null | 2.998 | 0.808 | 0.808 | null | null | null | has coordinates | Todorov, T.; Angelova, O.; Macícek, J.
The Covert Water in the Structure of Sr(ReO~4~)~2~.2H~2~O: a Revision of the Sesquihydrate Model
Acta Crystallographica Section C
52(6)
(1996)
1319-1323 | 191,094 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-30 15:55:43 +0200 (Mon, 30 Jan 2017) $
#$Revision: 191094 $
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7,106,511 | 17.211 | 0.004 | 15.17 | 0.003 | 19.113 | 0.004 | 90 | null | 111.999 | 0.003 | 90 | null | 4,626.9 | 1.7 | 113 | 2 | 113 | 2 | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | 15 | - C46 H42 B2 F8 Fe N10 O6 - | - C46 H42 B2 F8 Fe N10 O6 - | - C184 H168 B8 F32 Fe4 N40 O24 - | 4 | 0.5 | Yuta Hasegawa; Kazuhiro Takahashi; Shoko Kume; Hiroshi Nishihara | Complete solid state photoisomerization of s bis(dipyrazolylstyrylpyridine)iron(II) to change magnetic propertie | Chem.Commun. | 2,011 | 47 | 6846 | 10.1039/c1cc11850a | 0.71073 | MoKα | null | 0.0552 | null | null | null | 0.1493 | null | null | null | null | null | 1.095 | null | null | has coordinates,has disorder | Yuta Hasegawa; Kazuhiro Takahashi; Shoko Kume; Hiroshi Nishihara
Complete solid state photoisomerization of s bis(dipyrazolylstyrylpyridine)iron(II) to change magnetic propertie
Chem.Commun.
47
(2011)
6846 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
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2,004,955 | 4.024 | 0.003 | 4.024 | 0.003 | 5.113 | 0.004 | 90 | null | 90 | null | 120 | null | 71.7 | 0.09 | 113 | 2 | null | null | null | null | null | null | 2 | P -3 m 1 | -P 3 2" | 164 | - Pd Te2 - | - Pd Te2 - | - Pd Te2 - | 1 | 0.083333 | BR1127 | Pell, M. A.; Mironov, Y. V.; Ibers, J. A. | PdTe~2~ | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1331 | 1332 | 10.1107/S0108270195016246 | 0.7107 | MoKα | null | 0.0262 | null | null | 0.0648 | null | null | null | null | 1.325 | 1.325 | null | null | null | has coordinates | Pell, M. A.; Mironov, Y. V.; Ibers, J. A.
PdTe~2~
Acta Crystallographica Section C
52(6)
(1996)
1331-1332 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,004,956 | 4.555 | 0.002 | 4.555 | null | 9.772 | 0.006 | 90 | null | 90 | null | 90 | null | 202.75 | 0.15 | 293 | null | 20 | null | null | null | null | null | 3 | P 4/n m m :2 | -P 4a 2a | 129 | - Bi2 Ce Cu0.71 - | - Bi2 Ce Cu0.7055 - | - Bi4 Ce2 Cu1.411 - | 2 | 0.125 | BR1129 | Ye, J.; Huang, Y. K.; Kadowaki, K.; Matsumoto, T. | A Novel Intermetallic Compound, CeCu~1{-~<i>x</i>}Bi~2~ | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1323 | 1325 | 10.1107/S0108270195016738 | 0.7107 | MoKα | null | 0.0483 | null | null | 0.0482 | null | null | null | null | 1.16 | 1.16 | null | null | null | has coordinates | Ye, J.; Huang, Y. K.; Kadowaki, K.; Matsumoto, T.
A Novel Intermetallic Compound, CeCu~1{-~<i>x</i>}Bi~2~
Acta Crystallographica Section C
52(6)
(1996)
1323-1325 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,004,957 | 6.499 | 0.001 | 14.191 | 0.004 | 7.607 | 0.002 | 90 | null | 93.95 | 0.02 | 90 | null | 699.9 | 0.3 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - As2 H4 Mg2 O9 - | - As2 H4 Mg2 O9 - | - As8 H16 Mg8 O36 - | 4 | 1 | BR1130 | Wu, C.-H.; Chen, T.-C.; Wang, S.-L. | Two Hydrous Divalent-Metal Diarsenates | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1326 | 1329 | 10.1107/S0108270195016350 | null | MoKα | null | 0.0253 | null | null | 0.0278 | null | null | null | null | 0.997 | 0.997 | null | null | null | has coordinates | Wu, C.-H.; Chen, T.-C.; Wang, S.-L.
Two Hydrous Divalent-Metal Diarsenates
Acta Crystallographica Section C
52(6)
(1996)
1326-1329 | 278,315 | 2022-10-03 | 11:11:45 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 14:11:44 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278315 $
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2,004,958 | 6.496 | 0.021 | 14.211 | 0.006 | 7.628 | 0.004 | 90 | null | 93.91 | 0.04 | 90 | null | 703 | 2 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - As2 H4 O9 Zn2 - | - As2 O9 Zn2 - | - As8 O36 Zn8 - | 4 | 1 | BR1130 | Wu, C.-H.; Chen, T.-C.; Wang, S.-L. | Two Hydrous Divalent-Metal Diarsenates | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1326 | 1329 | 10.1107/S0108270195016350 | null | MoKα | null | 0.059 | null | null | 0.0616 | null | null | null | null | 0.76 | 0.76 | null | null | null | has coordinates | Wu, C.-H.; Chen, T.-C.; Wang, S.-L.
Two Hydrous Divalent-Metal Diarsenates
Acta Crystallographica Section C
52(6)
(1996)
1326-1329 | 278,318 | 2022-10-03 | 11:48:11 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 14:48:10 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278318 $
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2,004,959 | 7.429 | 0.002 | 13.906 | 0.009 | 9.157 | 0.002 | 90 | null | 110.72 | 0.02 | 90 | null | 884.8 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Potassium Molybdenyl Diarsenate | - As2 K2 Mo O9 - | - As2 K2 Mo O9 - | - As8 K8 Mo4 O36 - | 4 | 1 | BR1131 | Zid, M. F.; Jouini, T. | K~2~MoO~2~As~2~O~7~ | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1334 | 1336 | 10.1107/S0108270195016726 | 0.71069 | MoKα | 0.0368 | 0.0247 | null | 0.052 | 0.0494 | null | null | null | 1.221 | 1.29 | 1.29 | null | null | null | has coordinates | Zid, M. F.; Jouini, T.
K~2~MoO~2~As~2~O~7~
Acta Crystallographica Section C
52(6)
(1996)
1334-1336 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
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2,004,960 | 9.491 | 0.003 | 12.201 | 0.006 | 18.786 | 0.012 | 81.27 | 0.03 | 81.02 | 0.02 | 71.12 | 0.02 | 2,021.2 | 1.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | barium decavanadate enneahydrate | - Ba3 H6 O31 V10 - | - Ba3 O47 V10 - | - Ba6 O94 V20 - | 2 | 1 | BR1133 | Kamenar, B.; Cindrić, M.; Strukan, N. | Ba~3~[V~10~O~28~].19H~2~O | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1338 | 1341 | 10.1107/S0108270195017124 | 0.71069 | MoKα | 0.081 | 0.0587 | null | 0.1869 | 0.1557 | null | null | null | 1.031 | 1.051 | 1.051 | null | null | null | has coordinates | Kamenar, B.; Cindrić, M.; Strukan, N.
Ba~3~[V~10~O~28~].19H~2~O
Acta Crystallographica Section C
52(6)
(1996)
1338-1341 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,004,961 | 17.797 | 0.003 | 10.2594 | 0.0006 | 7.4438 | 0.0005 | 90 | null | 98.44 | 0.01 | 90 | null | 1,344.4 | 0.3 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | p-nitrophenyl-α-D-mannopyranoside hemihydrate | - C24 H32 N2 O17 - | - C24 H32 N2 O17 - | - C48 H64 N4 O34 - | 2 | 1 | CF1032 | Fernandez-Castaño, C.; Foces-Foces, C. | <i>p</i>-Nitrophenyl α-<small>D</small>-Mannopyranoside Hemihydrate | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1586 | 1588 | 10.1107/S0108270196000728 | 1.5418 | CuKα | 0.069 | 0.069 | null | 0.069 | 0.069 | null | null | null | 1.017 | 1.017 | 1.017 | null | null | null | has coordinates | Fernandez-Castaño, C.; Foces-Foces, C.
<i>p</i>-Nitrophenyl α-<small>D</small>-Mannopyranoside Hemihydrate
Acta Crystallographica Section C
52(6)
(1996)
1586-1588 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,962 | 6.7341 | 0.0006 | 19.76 | 0.002 | 8.1797 | 0.0015 | 90 | null | 102.085 | 0.009 | 90 | null | 1,064.3 | 0.2 | 294 | 1 | 294 | 1 | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | 1,3-adamantanedicarboxylic acid | - C12 H16 O4 - | - C12 H15.806 O4 - | - C48 H63.224 O16 - | 4 | 1 | CF1046 | Glidewell, C.; Ferguson, G. | 1,3-Adamantanedicarboxylic Acid and 1,3-Adamantanediacetic Acid | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1466 | 1470 | 10.1107/S0108270195016593 | 0.7107 | MoKα | 0.1444 | 0.0499 | null | 0.1458 | 0.1233 | null | null | null | 0.863 | 1.186 | 1.186 | null | null | null | has coordinates,has disorder | Glidewell, C.; Ferguson, G.
1,3-Adamantanedicarboxylic Acid and 1,3-Adamantanediacetic Acid
Acta Crystallographica Section C
52(6)
(1996)
1466-1470 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,004,963 | 23.677 | 0.014 | 7.739 | 0.005 | 14.73 | 0.014 | 90 | null | 110.23 | 0.05 | 90 | null | 2,533 | 3 | 294 | 1 | 294 | 1 | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | 1,3-Adamantanediacetic acid | - C14 H20 O4 - | - C14 H20 O4 - | - C112 H160 O32 - | 8 | 2 | CF1046 | Glidewell, C.; Ferguson, G. | 1,3-Adamantanedicarboxylic Acid and 1,3-Adamantanediacetic Acid | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1466 | 1470 | 10.1107/S0108270195016593 | 0.7107 | MoKα | 0.1517 | 0.0654 | null | 0.186 | 0.1641 | null | null | null | 0.967 | 1.327 | 1.327 | null | null | null | has coordinates | Glidewell, C.; Ferguson, G.
1,3-Adamantanedicarboxylic Acid and 1,3-Adamantanediacetic Acid
Acta Crystallographica Section C
52(6)
(1996)
1466-1470 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,004,964 | 9.548 | 0.007 | 11.924 | 0.011 | 12.714 | 0.01 | 90 | null | 94.68 | 0.06 | 90 | null | 1,443 | 2 | 298 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C12 H10 I2 Sn - | - C12 H10 I2 Sn - | - C48 H40 I8 Sn4 - | 4 | 1 | CF1048 | Howie, R. A.; Wardell, J. L. | Diphenyltin Diiodide | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1424 | 1426 | 10.1107/S0108270195016945 | 0.71073 | MoKα | null | 0.048 | null | null | 0.066 | null | null | null | null | 0.75 | 0.75 | null | null | null | has coordinates | Howie, R. A.; Wardell, J. L.
Diphenyltin Diiodide
Acta Crystallographica Section C
52(6)
(1996)
1424-1426 | 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/2/00/49/2004964.cif $
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2,004,965 | 7.839 | 0.007 | 8.281 | 0.007 | 13.113 | 0.009 | 92.77 | 0.06 | 104.85 | 0.06 | 120.82 | 0.06 | 689.9 | 1.1 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C12 H8 N2 O4 S3 - | - C12 H8 N2 O4 S3 - | - C24 H16 N4 O8 S6 - | 2 | 1 | CF1050 | Howie, R. A.; Wardell, J. L. | Bis(2-nitrophenyl) Trisulfide | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1533 | 1534 | 10.1107/S010827019600073X | 0.71073 | MoKα | null | 0.049 | null | null | 0.042 | null | null | null | null | 1.45 | 1.45 | null | null | null | has coordinates | Howie, R. A.; Wardell, J. L.
Bis(2-nitrophenyl) Trisulfide
Acta Crystallographica Section C
52(6)
(1996)
1533-1534 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,966 | 6.884 | 0.001 | 8.809 | 0.002 | 12.17 | 0.002 | 90 | null | 91.99 | 0.03 | 90 | null | 737.6 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (1S,6R,9S)-6-Benzamido-9-hydroxymethyl-8-oxabicyclo[4.3.0]non-3-en-7-one | - C16 H17 N O4 - | - C16 H17 N O4 - | - C32 H34 N2 O8 - | 2 | 1 | CF1053 | Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A. | A Lactone Derived from an Amino Acid with a Cyclohexyl Skeleton: (1<i>S</i>,6<i>R</i>,9<i>S</i>)-6-Benzamido-9-hydroxymethyl-8-oxabicyclo[4.3.0]non-3-en-7-one | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1456 | 1458 | 10.1107/S0108270195016581 | 0.71073 | MoKα | 0.0637 | 0.0396 | null | 0.133 | 0.0908 | null | null | null | 1.039 | 1.077 | 1.077 | null | null | null | has coordinates | Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.
A Lactone Derived from an Amino Acid with a Cyclohexyl Skeleton: (1<i>S</i>,6<i>R</i>,9<i>S</i>)-6-Benzamido-9-hydroxymethyl-8-oxabicyclo[4.3.0]non-3-en-7-one
Acta Crystallographica Section C
52(6)
(1996)
1456-1458 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,004,967 | 10.359 | 0.002 | 12.218 | 0.002 | 13.53 | 0.003 | 90 | null | 110.64 | 0.03 | 90 | null | 1,602.5 | 0.6 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Flurtamone | Flurtamone, 5-methylamino-2-phenyl-4 (a,a,a,-trifluoro-m-tolyl) furan-3(2H)-one. | - C18 H14 F3 N O2 - | - C18 H14 F3 N O2 - | - C72 H56 F12 N4 O8 - | 4 | 1 | CF1058 | Pèpe, G.; Pfefer, G.; Astier, J. P.; Marchal, P.; Bossy, A. | Flurtamone | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1514 | 1516 | 10.1107/S0108270196000868 | 1.5418 | CuKα | 0.056 | 0.056 | null | 0.056 | 0.056 | null | null | null | 0.78 | 0.78 | 0.78 | null | null | null | has coordinates | Pèpe, G.; Pfefer, G.; Astier, J. P.; Marchal, P.; Bossy, A.
Flurtamone
Acta Crystallographica Section C
52(6)
(1996)
1514-1516 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,968 | 3.841 | 0.001 | 27.234 | 0.003 | 7.3616 | 0.0008 | 90 | null | 102.09 | 0.014 | 90 | null | 753 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | potassium phthalimide | - C8 H4 K N O2 - | - C8 H4 K N O2 - | - C32 H16 K4 N4 O8 - | 4 | 1 | CF1066 | Nagel, N.; Bock, H.; Bats, J. W. | Potassium Phthalimide | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1344 | 1346 | 10.1107/S0108270196002387 | 1.5418 | CuKα | 0.038 | 0.0323 | null | 0.1007 | 0.0894 | null | null | null | 1.092 | 1.087 | 1.087 | null | null | null | has coordinates | Nagel, N.; Bock, H.; Bats, J. W.
Potassium Phthalimide
Acta Crystallographica Section C
52(6)
(1996)
1344-1346 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,004,969 | 9.803 | 0.002 | 10.467 | 0.003 | 23.386 | 0.004 | 90 | null | 95.69 | 0.01 | 90 | null | 2,387.8 | 0.9 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C28 H21 O3 P S - | - C28 H21 O3 P S - | - C112 H84 O12 P4 S4 - | 4 | 1 | DE1007 | Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K. | 8-(4-Methylphenoxy)-16<i>H</i>-dinaphtho[2,1-<i>d</i>:1',2'-<i>g</i>][1,3,2]dioxaphosphocine 8-sulfide | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1556 | 1558 | 10.1107/S0108270195015538 | 0.71073 | MoKα | null | 0.042 | null | null | 0.051 | null | null | null | null | 1.35 | 1.35 | null | null | null | has coordinates | Mani Naidu, S.; Krishnaiah, M.; Sivakumar, K.
8-(4-Methylphenoxy)-16<i>H</i>-dinaphtho[2,1-<i>d</i>:1',2'-<i>g</i>][1,3,2]dioxaphosphocine 8-sulfide
Acta Crystallographica Section C
52(6)
(1996)
1556-1558 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,106,510 | 39.672 | 0.018 | 8.106 | 0.003 | 36.949 | 0.018 | 90 | null | 140.303 | 0.007 | 90 | null | 7,589 | 6 | 90 | 2 | 90 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C38 H30 B2 F8 Fe N10 - | - C38 H30 B2 F8 Fe N10 - | - C304 H240 B16 F64 Fe8 N80 - | 8 | 1 | Yuta Hasegawa; Kazuhiro Takahashi; Shoko Kume; Hiroshi Nishihara | Complete solid state photoisomerization of s bis(dipyrazolylstyrylpyridine)iron(II) to change magnetic propertie | Chem.Commun. | 2,011 | 47 | 6846 | 10.1039/c1cc11850a | 0.71073 | MoKα | null | 0.0927 | null | null | null | 0.2656 | null | null | null | null | null | 1.098 | null | null | has coordinates,has disorder | Yuta Hasegawa; Kazuhiro Takahashi; Shoko Kume; Hiroshi Nishihara
Complete solid state photoisomerization of s bis(dipyrazolylstyrylpyridine)iron(II) to change magnetic propertie
Chem.Commun.
47
(2011)
6846 | 180,169 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 03:07:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180169 $
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2,004,970 | 7.63 | 0.001 | 35.156 | 0.005 | 8.505 | 0.001 | 90 | null | 90 | null | 90 | null | 2,281.4 | 0.5 | 293 | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - C12 H14 N2 O4 - | - C12 H14 N2 O4 - | - C96 H112 N16 O32 - | 8 | 1 | DE1008 | Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Thappa, R. K.; Agarwal, S. G. | 7-Methoxyvasicinone Hydrate | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1491 | 1493 | 10.1107/S0108270195010870 | 0.71073 | MoKα | null | 0.049 | null | null | 0.149 | null | null | null | null | 0.703 | 0.703 | null | null | null | has coordinates | Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Thappa, R. K.; Agarwal, S. G.
7-Methoxyvasicinone Hydrate
Acta Crystallographica Section C
52(6)
(1996)
1491-1493 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,004,971 | 10.683 | 0.002 | 16.996 | 0.005 | 18.77 | 0.003 | 90 | null | 90 | null | 90 | null | 3,408 | 1.3 | 295 | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - C19 H25 N O2 - | - C19 H25 N O2 - | - C152 H200 N8 O16 - | 8 | 1 | DE1018 | Thiruvalluvar, A.; Parthasarathi, V.; Natarajan, D.; Bhavani, N.; Bhadbhade, M. | <i>N</i>-Acetyl-3-ethyl-2-phenyldecahydroquinolin-4-one, C~19~H~25~NO~2~ | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1563 | 1565 | 10.1107/S0108270195015149 | 1.54184 | CuKα | null | 0.045 | null | null | 0.053 | null | null | null | null | 1.57 | 1.57 | null | null | null | has coordinates | Thiruvalluvar, A.; Parthasarathi, V.; Natarajan, D.; Bhavani, N.; Bhadbhade, M.
<i>N</i>-Acetyl-3-ethyl-2-phenyldecahydroquinolin-4-one, C~19~H~25~NO~2~
Acta Crystallographica Section C
52(6)
(1996)
1563-1565 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,004,972 | 21.04 | 0.002 | 7.936 | 0.002 | 20.444 | 0.002 | 90 | null | 116.44 | 0.01 | 90 | null | 3,056.5 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | Spermine dilithium cyclohexaphosphate tetrahydrate | 4,9,12-triazoniadoceylammonium Dilithiumcyclohexaphosphate Tetrahydrate | - C10 H38 Li2 N4 O22 P6 - | - C10 H38 Li2 N4 O22 P6 - | - C40 H152 Li8 N16 O88 P24 - | 4 | 0.5 | DU1143 | Gharbi, A.; Jouini, A. | 4,9-Diazonia-1,12-dodecanediammonium Dilithium <i>cyclo</i>-Hexaphosphate Tetrahydrate | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1342 | 1344 | 10.1107/S0108270196000558 | 0.71069 | MoKα | 0.0479 | 0.0326 | null | 0.1092 | 0.0948 | null | null | null | 0.906 | 0.881 | 0.881 | null | null | null | has coordinates | Gharbi, A.; Jouini, A.
4,9-Diazonia-1,12-dodecanediammonium Dilithium <i>cyclo</i>-Hexaphosphate Tetrahydrate
Acta Crystallographica Section C
52(6)
(1996)
1342-1344 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,004,973 | 9.531 | 0.001 | 12.12 | 0.001 | 14.327 | 0.002 | 64.34 | 0.02 | 70.61 | 0.01 | 82.9 | 0.01 | 1,406.8 | 0.4 | 295 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C21 H13 Ce N6 O20 - | - C42 H26 Ce2 N12 O40 - | - C42 H26 Ce2 N12 O40 - | 1 | 0.5 | FG1076 | Tahir, M. N.; Ülkü, D.; Ünaleroglu, C.; Mövsümov, E. M. | Cerium 3,5-Dinitrobenzoate Dihydrate | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1449 | 1451 | 10.1107/S010827019600011X | 0.71073 | MoKα | null | 0.044 | null | null | 0.044 | null | null | null | null | 1.08 | 1.08 | null | null | null | has coordinates | Tahir, M. N.; Ülkü, D.; Ünaleroglu, C.; Mövsümov, E. M.
Cerium 3,5-Dinitrobenzoate Dihydrate
Acta Crystallographica Section C
52(6)
(1996)
1449-1451 | 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/2/00/49/2004973.cif $
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2,004,974 | 11.598 | 0.001 | 14.526 | 0.001 | 10.612 | 0.001 | 90 | null | 111.5 | 0.01 | 90 | null | 1,663.4 | 0.3 | 298 | null | 298 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | dimethyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate | - C17 H16 N2 O6 - | - C17 H16 N2 O6 - | - C68 H64 N8 O24 - | 4 | 1 | FG1105 | Rowan, K. R.; Holt, E. M. | Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1565 | 1570 | 10.1107/S0108270196000091 | 0.71073 | MoKα | 0.0641 | 0.0471 | null | 0.0699 | 0.0648 | null | null | null | null | 1.53 | 1.53 | null | null | null | has coordinates | Rowan, K. R.; Holt, E. M.
Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
Acta Crystallographica Section C
52(6)
(1996)
1565-1570 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/49/2004974.cif $
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2,004,975 | 14.328 | 0.004 | 15.292 | 0.003 | 8.673 | 0.002 | 90 | null | 90 | null | 90 | null | 1,900.3 | 0.8 | 298 | null | 298 | null | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | - C19 H22 N2 O6 - | - C19 H22 N2 O6 - | - C76 H88 N8 O24 - | 4 | 1 | FG1105 | Rowan, K. R.; Holt, E. M. | Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1565 | 1570 | 10.1107/S0108270196000091 | 0.71073 | MoKα | 0.1097 | 0.0482 | null | 0.0745 | 0.0537 | null | null | null | null | 1.16 | 1.16 | null | null | null | has coordinates | Rowan, K. R.; Holt, E. M.
Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
Acta Crystallographica Section C
52(6)
(1996)
1565-1570 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/49/2004975.cif $
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7,106,509 | 11.057 | 0.004 | 12.834 | 0.005 | 19.13 | 0.007 | 95.729 | 0.006 | 90.211 | 0.005 | 99.258 | 0.006 | 2,665.4 | 1.7 | 173.1 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C51 H84 F4 N2 O9 P2 - | - C51 H84 F4 N2 O9 P2 - | - C102 H168 F8 N4 O18 P4 - | 2 | 1 | Kiyoshi Kanie; Junji Sekiguchi; Xiangbing Zeng.; Goran Ungar; Atsushi Muramatsu | Phospholipids with a stimuli-responsive thermotropic liquid-crystalline moiety | Chem.Commun. | 2,011 | 47 | 6885 | 10.1039/c1cc11843a | 0.7107 | MoKα | null | 0.0469 | null | null | null | 0.127 | null | null | null | null | null | 1.099 | null | null | has coordinates | Kiyoshi Kanie; Junji Sekiguchi; Xiangbing Zeng.; Goran Ungar; Atsushi Muramatsu
Phospholipids with a stimuli-responsive thermotropic liquid-crystalline moiety
Chem.Commun.
47
(2011)
6885 | 301,853 | 2025-08-21 | 21:50:04 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/10/65/7106509.cif $
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2,004,976 | 12.018 | 0.001 | 19.517 | 0.002 | 8.606 | 0.001 | 90 | null | 109.92 | 0.01 | 90 | null | 1,897.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | diethyl 2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate | - C19 H20 N2 O6 - | - C19 H21 N2 O6 - | - C76 H84 N8 O24 - | 4 | 1 | FG1105 | Rowan, K. R.; Holt, E. M. | Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1565 | 1570 | 10.1107/S0108270196000091 | 0.71073 | MoKα | 0.1452 | 0.0587 | null | 0.1605 | 0.1064 | null | null | null | 0.984 | 1.134 | 1.134 | null | null | null | has coordinates | Rowan, K. R.; Holt, E. M.
Dimethyl 2,6-Dimethyl-4-(3-nitrophenyl)-pyridine-3,5-dicarboxylate, Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and Diethyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
Acta Crystallographica Section C
52(6)
(1996)
1565-1570 | 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/2/00/49/2004976.cif $
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2,004,977 | 14.021 | 0.002 | 15.613 | 0.002 | 15.43 | 0.002 | 116.34 | 0.01 | 124.84 | 0.01 | 75.36 | 0.01 | 2,484.5 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | [NBDRh(II-phophos)~2~](BF~4~)~3~ | Bis{2-(diphenylphosphinoethyl)trimethylphosphonium}(norbornadiene)rhodium(I) Fluoroborate | - C43 H58 B3 F12 P4 Rh - | - C43 H58 B3 F12.003 P4 Rh - | - C86 H116 B6 F24.006 P8 Rh2 - | 2 | 1 | FG1107 | Roszak, A. W.; Renaud, E.; Baird, M. C. | Bis{[3-(diphenylphosphino)propyl]trimethylphosphonium-<i>P</i>}[(2,3,5,6-η)-norbornadiene]rhodium(I) Tris(tetrafluoroborate) | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1359 | 1362 | 10.1107/S0108270195017069 | 0.71069 | MoKα | 0.0962 | 0.0495 | null | 0.1591 | 0.1228 | null | null | null | 1.112 | 1.155 | 1.155 | null | null | null | has coordinates,has disorder | Roszak, A. W.; Renaud, E.; Baird, M. C.
Bis{[3-(diphenylphosphino)propyl]trimethylphosphonium-<i>P</i>}[(2,3,5,6-η)-norbornadiene]rhodium(I) Tris(tetrafluoroborate)
Acta Crystallographica Section C
52(6)
(1996)
1359-1362 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,978 | 23.144 | 0.003 | 4.036 | 0.001 | 20.956 | 0.003 | 90 | null | 103.89 | 0.01 | 90 | null | 1,900.2 | 0.6 | 296 | null | 296 | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | - C9 H4 S4 - | - C9 H4 S4 - | - C72 H32 S32 - | 8 | 1 | FG1109 | Parvez, M.; Mesher, S. T. E.; Clark, P. D. | [1,3]Dithiolo[4,5-<i>b</i>][1]benzothiophene-2-thione | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1503 | 1505 | 10.1107/S0108270195016532 | 0.71069 | MoKα | null | 0.0562 | null | null | 0.0569 | null | null | null | null | 2.856 | 2.856 | null | null | null | has coordinates | Parvez, M.; Mesher, S. T. E.; Clark, P. D.
[1,3]Dithiolo[4,5-<i>b</i>][1]benzothiophene-2-thione
Acta Crystallographica Section C
52(6)
(1996)
1503-1505 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,979 | 12.2102 | 0.0008 | 31.464 | 0.002 | 8.368 | 0.002 | 90 | null | 90 | null | 90 | null | 3,214.8 | 0.8 | 294 | null | 294 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C31 H48 N4 O4 - | - C31 H48 N4 O5 - | - C124 H192 N16 O20 - | 4 | 1 | FG1120 | Coleman, J. E.; Patrick, B. O.; Andersen, R. J.; Rettig, S. J. | Hemiasterlin Methyl Ester | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1525 | 1527 | 10.1107/S0108270195016556 | 1.5418 | CuKα | null | 0.0391 | null | null | 0.0375 | null | null | null | null | 2.207 | 2.207 | null | null | null | has coordinates | Coleman, J. E.; Patrick, B. O.; Andersen, R. J.; Rettig, S. J.
Hemiasterlin Methyl Ester
Acta Crystallographica Section C
52(6)
(1996)
1525-1527 | 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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2,004,980 | 3.756 | 0.001 | 14.191 | 0.001 | 10.911 | 0.001 | 90 | null | 99.18 | 0.01 | 90 | null | 574.12 | 0.17 | 296 | null | 296 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 3-aminopyrazine-2-carboxylic acid | - C5 H5 N3 O2 - | - C5 H5 N3 O2 - | - C20 H20 N12 O8 - | 4 | 1 | FG1125 | A. J. Dobson; R. E. Gerkin | 3-Aminopyrazine-2-carboxylic Acid | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1512 | 1514 | 10.1107/S0108270195016416 | 0.71073 | MoKα | null | 0.045 | null | null | 0.053 | null | null | null | null | 1.8 | 1.8 | null | null | null | has coordinates | A. J. Dobson; R. E. Gerkin
3-Aminopyrazine-2-carboxylic Acid
Acta Crystallographica Section C
52(6)
(1996)
1512-1514 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,981 | 10.454 | 0.002 | 5.507 | 0.002 | 18 | 0.002 | 90 | null | 99.9 | 0.01 | 90 | null | 1,020.8 | 0.4 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | Alpha-fluorene-4-carboxylic acid | - C14 H10 O2 - | - C14 H10 O2 - | - C56 H40 O8 - | 4 | 1 | FG1130 | Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E. | Two <i>P</i>2~1~/<i>n</i> Monoclinic Phases of Fluorene-4-carboxylic Acid at 296K | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1482 | 1486 | 10.1107/S0108270195016179 | 0.71073 | MoKα | null | 0.048 | null | null | 0.037 | null | null | null | null | 1.9 | 1.9 | null | null | null | has coordinates | Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.
Two <i>P</i>2~1~/<i>n</i> Monoclinic Phases of Fluorene-4-carboxylic Acid at 296K
Acta Crystallographica Section C
52(6)
(1996)
1482-1486 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,982 | 9.308 | 0.002 | 12.464 | 0.002 | 17.833 | 0.002 | 90 | null | 95.29 | 0.01 | 90 | null | 2,060.1 | 0.6 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | Beta-fluorene-4-carboxylic acid | - C14 H10 O2 - | - C14 H10 O2 - | - C112 H80 O16 - | 8 | 2 | FG1130 | Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E. | Two <i>P</i>2~1~/<i>n</i> Monoclinic Phases of Fluorene-4-carboxylic Acid at 296K | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1482 | 1486 | 10.1107/S0108270195016179 | 0.71073 | MoKα | null | 0.045 | null | null | 0.047 | null | null | null | null | 1.5 | 1.5 | null | null | null | has coordinates | Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.
Two <i>P</i>2~1~/<i>n</i> Monoclinic Phases of Fluorene-4-carboxylic Acid at 296K
Acta Crystallographica Section C
52(6)
(1996)
1482-1486 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,225 | 11.0686 | 0.0004 | 11.0686 | 0.0004 | 28.069 | 0.004 | 90 | null | 90 | null | 120 | null | 2,978.1 | 0.5 | 213 | 2 | 213 | 2 | null | null | null | null | synthesized | 5 | P 31 | P 31 | 144 | Pentachloro-tris(tripropylphosphine)-di-rhenium (II, III), 1,3,6-isomer | - C27 H63 Cl5 P3 Re2 - | - C27 H63 Cl5 P3 Re2.002 - | - C81 H189 Cl15 P9 Re6.006 - | 3 | 1 | F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina | Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 6. Rare or Unprecedented Isomers of [Re2Cl6(PR3)2] Stoichiometry | Inorganic Chemistry | 1,999 | 38 | 3889 | 3894 | 10.1021/ic9906095 | 0.71073 | MoKα | 0.051 | 0.0496 | null | 0.1324 | 0.1305 | null | null | null | 1.055 | 1.052 | 1.052 | null | null | null | has coordinates,has disorder | F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina
Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 6. Rare or Unprecedented Isomers of [Re2Cl6(PR3)2] Stoichiometry
Inorganic Chemistry
38
(1999)
3889-3894 | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:23:19 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179325 $
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2,004,983 | 12.129 | 0.001 | 11.116 | 0.001 | 9.716 | 0.001 | 90 | null | 93.95 | 0.01 | 90 | null | 1,306.9 | 0.2 | 298 | null | 298 | null | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | 15 | (Author's name) catena-Poly[(μ2-O,μ-N'(di-2-pyridyl ketone)-N,O)μ2-O,μ-N(di-2- pyridyl ketone)-N',O]silver(I) tetrafluoroborate | - C11 H8 Ag B F4 N2 O - | - C11 H8 Ag B F8 N2 O - | - C44 H32 Ag4 B4 F32 N8 O4 - | 4 | 0.5 | FG1132 | Sommerer, S. O.; Westcott, B. L.; Jircitano, A. J.; Abboud, K. A. | <i>catena</i>-Poly[silver-μ-(di-2-pyridyl ketone)-<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>] Tetrafluoroborate | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1426 | 1428 | 10.1107/S0108270196001503 | 0.71073 | MoKα | 0.0598 | 0.0456 | null | 0.0671 | 0.0584 | null | null | null | null | 2.06 | 2.06 | null | null | null | has coordinates | Sommerer, S. O.; Westcott, B. L.; Jircitano, A. J.; Abboud, K. A.
<i>catena</i>-Poly[silver-μ-(di-2-pyridyl ketone)-<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>] Tetrafluoroborate
Acta Crystallographica Section C
52(6)
(1996)
1426-1428 | 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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2,004,984 | 16.139 | 0.001 | 5.117 | 0.001 | 26.887 | 0.002 | 90 | null | 90 | null | 90 | null | 2,220.4 | 0.5 | 296 | null | 296 | null | null | null | null | null | 3 | P n a 21 | P 2c -2n | 33 | Xanthene-9-carboxylic acid | - C14 H10 O3 - | - C14 H10 O3 - | - C112 H80 O24 - | 8 | 2 | FG1134 | Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E. | Xanthene-9-carboxylic Acid | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1486 | 1488 | 10.1107/S0108270195016167 | 0.71073 | MoKα | null | 0.058 | null | null | 0.046 | null | null | null | null | 1.32 | 1.32 | null | null | null | has coordinates | Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.
Xanthene-9-carboxylic Acid
Acta Crystallographica Section C
52(6)
(1996)
1486-1488 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,985 | 3.809 | 0.001 | 19.911 | 0.002 | 13.206 | 0.002 | 90 | null | 91.28 | 0.01 | 90 | null | 1,001.3 | 0.3 | 296 | 1 | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H8 O3 - | - C14 H8 O3 - | - C56 H32 O12 - | 4 | 1 | FG1139 | Coté, M. L.; Lalancette, R. A.; Thompson, H. W. | 1-Carboxyfluorenone: an Intramolecularly Hydrogen-Bonded γ-Keto Acid | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1535 | 1537 | 10.1107/S0108270195016155 | 0.71073 | MoKα | 0.129 | 0.047 | null | 0.117 | 0.091 | null | null | null | 0.75 | 1.02 | 1.02 | null | null | null | has coordinates | Coté, M. L.; Lalancette, R. A.; Thompson, H. W.
1-Carboxyfluorenone: an Intramolecularly Hydrogen-Bonded γ-Keto Acid
Acta Crystallographica Section C
52(6)
(1996)
1535-1537 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,986 | 8.031 | 0.002 | 10.583 | 0.002 | 14.655 | 0.004 | 90 | null | 96.25 | 0.03 | 90 | null | 1,238.2 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | [Pt(MeIm)~4~](ClO~4~)~2~ | Tetrakis(1-methylimidazole)platinum(II) Perchlorate | - C16 H24 Cl2 N8 O8 Pt - | - C16 H24 Cl2 N8 O8 Pt - | - C32 H48 Cl4 N16 O16 Pt2 - | 2 | 0.5 | FG1141 | Roszak, A. W.; Clement, O.; Buncel, E. | A Monoclinic Form of Tetrakis(1-methylimidazole-<i>N</i>^3^)platinum(II) Diperchlorate | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1362 | 1365 | 10.1107/S0108270196000984 | 0.71069 | MoKα | 0.058 | 0.0313 | null | 0.0995 | 0.0847 | null | null | null | 1.052 | 1.14 | 1.14 | null | null | null | has coordinates | Roszak, A. W.; Clement, O.; Buncel, E.
A Monoclinic Form of Tetrakis(1-methylimidazole-<i>N</i>^3^)platinum(II) Diperchlorate
Acta Crystallographica Section C
52(6)
(1996)
1362-1365 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,987 | 12.214 | 0.003 | 3.0371 | 0.0009 | 5.7981 | 0.0009 | 90 | null | 103.83 | 0.02 | 90 | null | 208.85 | 0.09 | 273.2 | null | 273 | null | null | null | null | null | 2 | C 1 2/m 1 | -C 2y | 12 | - Ga2 O3 - | - Ga2 O3 - | - Ga8 O12 - | 4 | 0.5 | FG1144 | Åhman, J.; Svensson, G.; Albertsson, J. | A Reinvestigation of β-Gallium Oxide | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1336 | 1338 | 10.1107/S0108270195016404 | 0.7107 | MoKα | null | 0.022 | null | null | 0.032 | null | null | null | null | 1.08 | 1.08 | null | null | null | has coordinates | Åhman, J.; Svensson, G.; Albertsson, J.
A Reinvestigation of β-Gallium Oxide
Acta Crystallographica Section C
52(6)
(1996)
1336-1338 | 303,130 | 2025-11-01 | 10:28:40 | #------------------------------------------------------------------------------
#$Date: 2025-11-01 12:28:30 +0200 (Sat, 01 Nov 2025) $
#$Revision: 303130 $
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2,004,988 | 14.204 | 0.002 | 16.381 | 0.003 | 11.878 | 0.002 | 96.13 | 0.01 | 92.42 | 0.01 | 64.94 | 0.01 | 2,489.2 | 0.7 | 294.2 | null | 294.2 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C36 H30 Cl3.86 O0.14 P2 Re - | - C36 H30 Cl4 O0.666667 P2 Re - | - C108 H90 Cl12 O2 P6 Re3 - | 3 | 1.5 | FG1149 | Luo, H.; Orvig, C.; Rettig, S. J. | <i>trans</i>-Tetrachlorobis(triphenylphosphine-<i>P</i>)rhenium(IV)‒<i>mer</i>-<i>trans</i>-Trichlorooxobis(triphenylphosphine-<i>P</i>)rhenium(V) (0.86/0.14) | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1377 | 1380 | 10.1107/S0108270196001710 | 0.71069 | MoKα | null | 0.032 | null | null | 0.025 | null | null | null | null | 1.24 | 1.24 | null | null | null | has coordinates | Luo, H.; Orvig, C.; Rettig, S. J.
<i>trans</i>-Tetrachlorobis(triphenylphosphine-<i>P</i>)rhenium(IV)‒<i>mer</i>-<i>trans</i>-Trichlorooxobis(triphenylphosphine-<i>P</i>)rhenium(V) (0.86/0.14)
Acta Crystallographica Section C
52(6)
(1996)
1377-1380 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,004,989 | 11.105 | 0.002 | 8.978 | 0.002 | 17.219 | 0.001 | 90 | null | 90.13 | 0.01 | 90 | null | 1,716.7 | 0.5 | 296 | null | 296 | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | - C19 H20 Cl N3 - | - C19 H20 Cl N3 - | - C76 H80 Cl4 N12 - | 4 | 1 | FG1153 | Parvez, M.; Sabir, A. P. | Clemizole | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1572 | 1574 | 10.1107/S0108270196000819 | 0.71069 | MoKα | null | 0.0473 | null | null | 0.0472 | null | null | null | null | 2.825 | 2.825 | null | null | null | has coordinates | Parvez, M.; Sabir, A. P.
Clemizole
Acta Crystallographica Section C
52(6)
(1996)
1572-1574 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,990 | 9.45 | 0.002 | 12.383 | 0.003 | 14.453 | 0.002 | 90 | null | 90 | null | 90 | null | 1,691.3 | 0.6 | 294.2 | null | 294.2 | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | - C14 H26 O2 Si W - | - C14 H26 O2 Si W - | - C56 H104 O8 Si4 W4 - | 4 | 0.5 | FG1161 | Legzdins, P.; Rettig, S. J.; Sayers, S. F. | Dioxo(η^5^-pentamethylcyclopentadienyl)(trimethylsilylmethyl)tungsten(VI) | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1355 | 1357 | 10.1107/S0108270196001217 | 0.71069 | MoKα | 0.0962 | 0.0284 | null | 0.0313 | 0.0257 | null | null | null | null | 1.267 | 1.267 | null | null | null | has coordinates | Legzdins, P.; Rettig, S. J.; Sayers, S. F.
Dioxo(η^5^-pentamethylcyclopentadienyl)(trimethylsilylmethyl)tungsten(VI)
Acta Crystallographica Section C
52(6)
(1996)
1355-1357 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,991 | 8.744 | 0.002 | 11.087 | 0.002 | 14.511 | 0.003 | 106.16 | 0.02 | 102.98 | 0.02 | 75.31 | 0.02 | 1,288.9 | 0.5 | 295 | null | 295 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2-(4-nitrophenyl)-6[4-(6-acrylyloxy-hexyloxy)-benzoyloxy]benzoxazole | - C29 H26 N2 O8 - | - C29 H26 N2 O8 - | - C58 H52 N4 O16 - | 2 | 1 | HA1148 | Centore, R.; Ciajolo, M. R.; Tuzi, A. | Two Mesogenic Nitrobenzoxazoles | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1499 | 1503 | 10.1107/S0108270195014314 | 1.54178 | CuKα | 0.1 | 0.049 | null | null | 0.064 | null | null | null | null | 1.758 | 1.758 | null | null | null | has coordinates | Centore, R.; Ciajolo, M. R.; Tuzi, A.
Two Mesogenic Nitrobenzoxazoles
Acta Crystallographica Section C
52(6)
(1996)
1499-1503 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,992 | 11.477 | 0.001 | 15.123 | 0.002 | 17.242 | 0.002 | 105.78 | 0.01 | 99.22 | 0.01 | 107.83 | 0.01 | 2,642.9 | 0.6 | 295 | null | 295 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2-[4-(6-acrylyloxy-hexyloxy)-benzoyloxy]phenyl-6-nitrobenzoxazole | - C29 H26 N2 O8 - | - C29 H26 N2 O8 - | - C116 H104 N8 O32 - | 4 | 2 | HA1148 | Centore, R.; Ciajolo, M. R.; Tuzi, A. | Two Mesogenic Nitrobenzoxazoles | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1499 | 1503 | 10.1107/S0108270195014314 | 1.54178 | CuKα | 0.211 | 0.069 | null | null | 0.093 | null | null | null | null | 2.505 | 2.505 | null | null | null | has coordinates | Centore, R.; Ciajolo, M. R.; Tuzi, A.
Two Mesogenic Nitrobenzoxazoles
Acta Crystallographica Section C
52(6)
(1996)
1499-1503 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,993 | 7.392 | 0.001 | 9.888 | 0.002 | 10.814 | 0.002 | 90 | null | 99.59 | 0.03 | 90 | null | 779.4 | 0.2 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 3-nitroacetophenone | 1-(3-nitrophenyl)-ethanone | - C8 H7 N O3 - | - C8 H7 N O3 - | - C32 H28 N4 O12 - | 4 | 1 | HA1154 | Feeder, N.; Jones, W.; Chorlton, A. P.; Docherty, R. | 3-Nitroacetophenone | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1454 | 1456 | 10.1107/S0108270195015939 | 0.71073 | MoKα | 0.2084 | 0.0613 | null | 0.2315 | 0.1592 | null | null | null | 1.003 | 1.207 | 1.207 | null | null | null | has coordinates | Feeder, N.; Jones, W.; Chorlton, A. P.; Docherty, R.
3-Nitroacetophenone
Acta Crystallographica Section C
52(6)
(1996)
1454-1456 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,994 | 7.022 | 0.002 | 9.532 | 0.002 | 15.811 | 0.009 | 90 | null | 99.03 | 0.03 | 90 | null | 1,045.2 | 0.7 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 3-phthalimidoperpropanoic acid | 1,3-dihydro-1,3-dioxo-2H-isoindole-2-propaneperoxoic acid | - C11 H9 N O5 - | - C11 H8 N O5 - | - C44 H32 N4 O20 - | 4 | 1 | HA1155 | Feeder, N.; Jones, W. | Four ω-Phthalimidoaliphatic Peracids | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1516 | 1520 | 10.1107/S010827019501701X | 0.71069 | MoKα | 0.1976 | 0.0707 | null | 0.2769 | 0.1978 | null | null | null | 1.001 | 1.24 | 1.24 | null | null | null | has coordinates | Feeder, N.; Jones, W.
Four ω-Phthalimidoaliphatic Peracids
Acta Crystallographica Section C
52(6)
(1996)
1516-1520 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/49/2004994.cif $
#-------------------------------------------------------------------... | |||||||||
2,004,995 | 7.968 | 0.002 | 8.463 | 0.002 | 9.4295 | 0.001 | 85.473 | 0.01 | 113.31 | 0.02 | 105.37 | 0.02 | 562.8 | 0.2 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 4-phthalimidoperbutanoic acid | 1,3-dihydro-1,3-dioxo-2H-isoindole-2-butaneperoxoic acid | - C12 H11 N O5 - | - C12 H10 N O5 - | - C24 H20 N2 O10 - | 2 | 1 | HA1155 | Feeder, N.; Jones, W. | Four ω-Phthalimidoaliphatic Peracids | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1516 | 1520 | 10.1107/S010827019501701X | 0.71069 | MoKα | 0.0975 | 0.0439 | null | 0.1378 | 0.1121 | null | null | null | 1 | 1.088 | 1.088 | null | null | null | has coordinates | Feeder, N.; Jones, W.
Four ω-Phthalimidoaliphatic Peracids
Acta Crystallographica Section C
52(6)
(1996)
1516-1520 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/49/2004995.cif $
#-------------------------------------------------------------------... | |||||||||
2,004,996 | 6.7773 | 0.001 | 4.7222 | 0.001 | 19.935 | 0.004 | 90 | null | 98.22 | 0.02 | 90 | null | 631.4 | 0.2 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 5-phthalimidoperpentanoic acid | 1,3-dihydro-1,3-dioxo-2H-isoindole-2-pentaneperoxoic acid | - C13 H13 N O5 - | - C13 H12 N O5 - | - C26 H24 N2 O10 - | 2 | 1 | HA1155 | Feeder, N.; Jones, W. | Four ω-Phthalimidoaliphatic Peracids | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1516 | 1520 | 10.1107/S010827019501701X | 0.71069 | MoKα | 0.1621 | 0.0611 | null | 0.202 | 0.1526 | null | null | null | 1.014 | 1.144 | 1.144 | null | null | null | has coordinates | Feeder, N.; Jones, W.
Four ω-Phthalimidoaliphatic Peracids
Acta Crystallographica Section C
52(6)
(1996)
1516-1520 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/49/2004996.cif $
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2,004,997 | 19.028 | 0.005 | 4.5724 | 0.001 | 15.517 | 0.006 | 90 | null | 90.16 | 0.03 | 90 | null | 1,350 | 0.7 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 6-phthalimidoperhexanoic acid | 1,3-dihydro-1,3-dioxo-2H-isoindole-2-hexaneperoxoic acid | - C14 H15 N O5 - | - C14 H14 N O5 - | - C56 H56 N4 O20 - | 4 | 1 | HA1155 | Feeder, N.; Jones, W. | Four ω-Phthalimidoaliphatic Peracids | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1516 | 1520 | 10.1107/S010827019501701X | 0.71069 | MoKα | 0.214 | 0.0497 | null | 0.16 | 0.1055 | null | null | null | 0.914 | 1.113 | 1.113 | null | null | null | has coordinates | Feeder, N.; Jones, W.
Four ω-Phthalimidoaliphatic Peracids
Acta Crystallographica Section C
52(6)
(1996)
1516-1520 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/49/2004997.cif $
#-------------------------------------------------------------------... | |||||||||
4,322,224 | 11.8986 | 0.0004 | 11.913 | 0.001 | 18.383 | 0.002 | 102.23 | 0.02 | 108.003 | 0.005 | 97.38 | 0.01 | 2,368.6 | 0.4 | 213 | 2 | 213 | 2 | null | null | null | null | synthesized | 6 | P -1 | -P 1 | 2 | Hexachloro-(1,3-bis(diphenylphosphino)-propane)-di- -rhenium (II, III), tetrabutylammonium salt | - C43 H62 Cl6 N P2 Re2 - | - C43 H62 Cl6 N P2 Re2 - | - C86 H124 Cl12 N2 P4 Re4 - | 2 | 1 | F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina | Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 6. Rare or Unprecedented Isomers of [Re2Cl6(PR3)2] Stoichiometry | Inorganic Chemistry | 1,999 | 38 | 3889 | 3894 | 10.1021/ic9906095 | 0.71073 | MoKα | 0.0446 | 0.0388 | null | 0.1027 | 0.0965 | null | null | null | 1.136 | 1.149 | 1.149 | null | null | null | has coordinates | F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina
Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 6. Rare or Unprecedented Isomers of [Re2Cl6(PR3)2] Stoichiometry
Inorganic Chemistry
38
(1999)
3889-3894 | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:23:19 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179325 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322224.cif $
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2,004,998 | 9.681 | 0.005 | 5.301 | 0.003 | 13.956 | 0.006 | 90 | null | 96.16 | 0.04 | 90 | null | 712.1 | 0.6 | 153 | 2 | 120 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | L-isoleucine | - C6 H13 N O2 - | - C6 H13 N O2 - | - C24 H52 N4 O8 - | 4 | 2 | HA1156 | Görbitz, Carl Henrik; Dalhus, Bjørn | L-Isoleucine, Redetermination at 120 K | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1464 | 1466 | 10.1107/S0108270195016386 | 0.71069 | MoKα | 0.0717 | 0.0524 | null | 0.1316 | 0.1223 | null | null | null | 1.009 | 1.065 | 1.065 | null | null | null | has coordinates,has Fobs | Görbitz, Carl Henrik; Dalhus, Bjørn
L-Isoleucine, Redetermination at 120 K
Acta Crystallographica Section C
52(6)
(1996)
1464-1466 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/49/2004998.cif $
#-------------------------------------------------------------------... | ||||||||||
2,004,999 | 8.696 | 0.003 | 10.421 | 0.004 | 17.113 | 0.008 | 76.63 | 0.05 | 87.31 | 0.06 | 72.23 | 0.05 | 1,436.3 | 1.1 | 293 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C30 H38 N4 O4 P Rh - | - C30 H38 N4 O4 P Rh - | - C60 H76 N8 O8 P2 Rh2 - | 2 | 1 | HR1052 | Kettmann, V.; Dunaj-Jurčo, M.; Steinborn, D.; Ludwig, M. | <i>tert</i>-Butylbis(dimethylglyoximato-<i>N</i>,<i>N</i>')(triphenylphosphine-<i>P</i>)rhodium | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1399 | 1401 | 10.1107/S0108270195010912 | 0.71073 | MoKα | null | 0.055 | null | null | 0.068 | null | null | null | null | 1.27 | 1.27 | null | null | null | has coordinates | Kettmann, V.; Dunaj-Jurčo, M.; Steinborn, D.; Ludwig, M.
<i>tert</i>-Butylbis(dimethylglyoximato-<i>N</i>,<i>N</i>')(triphenylphosphine-<i>P</i>)rhodium
Acta Crystallographica Section C
52(6)
(1996)
1399-1401 | 190,596 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-17 16:22:02 +0200 (Tue, 17 Jan 2017) $
#$Revision: 190596 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/49/2004999.cif $
#-------------------------------------------------------------------... | |||||||||||
2,005,000 | 7.442 | 0.003 | 10.255 | 0.005 | 16.128 | 0.008 | 90 | null | 90.92 | 0.05 | 90 | null | 1,230.7 | 1 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C13 H14 N2 O3 S - | - C13 H14 N2 O3 S - | - C52 H56 N8 O12 S4 - | 4 | 1 | JZ1026 | Kettmann, V.; Svetlik, J. | Methyl 9-Methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2,4,6-triene-13-carboxylate | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1496 | 1499 | 10.1107/S0108270195008924 | 0.71073 | MoKα | null | 0.057 | null | null | 0.065 | null | null | null | null | 1.23 | 1.23 | null | null | null | has coordinates | Kettmann, V.; Svetlik, J.
Methyl 9-Methyl-11-thioxo-8-oxa-10,12-diazatricyclo[7.3.1.0^2,7^]trideca-2,4,6-triene-13-carboxylate
Acta Crystallographica Section C
52(6)
(1996)
1496-1499 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/50/2005000.cif $
#-------------------------------------------------------------------... | |||||||||||
2,005,001 | 8.233 | 0.002 | 10.953 | 0.002 | 11.636 | 0.007 | 63.85 | 0.03 | 80.76 | 0.02 | 84.79 | 0.02 | 929.4 | 0.7 | 200 | 2 | 200 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C8 H12 Cl6 Cu N4 S2 - | - C8 H12 Cl6 Cu N4 S2 - | - C16 H24 Cl12 Cu2 N8 S4 - | 2 | 1 | JZ1065 | Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P. | Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1412 | 1415 | 10.1107/S010827019501225X | 0.71073 | MoKα | 0.0624 | 0.0426 | null | 0.1324 | 0.1269 | null | null | null | 1.126 | 1.247 | 1.247 | null | null | null | has coordinates | Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P.
Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K
Acta Crystallographica Section C
52(6)
(1996)
1412-1415 | 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/2/00/50/2005001.cif $
#-------------------------------------------------------------------... | |||||||||||
2,005,002 | 8.168 | 0.002 | 10.919 | 0.004 | 11.437 | 0.008 | 64.24 | 0.05 | 80.03 | 0.03 | 84.72 | 0.03 | 904.6 | 0.8 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C8 H12 Cl6 Cu N4 S2 - | - C8 H12 Cl6 Cu N4 S2 - | - C16 H24 Cl12 Cu2 N8 S4 - | 2 | 1 | JZ1065 | Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P. | Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1412 | 1415 | 10.1107/S010827019501225X | 0.71073 | MoKα | 0.0355 | 0.0283 | null | 0.0816 | 0.0797 | null | null | null | 1.032 | 1.087 | 1.087 | null | null | null | has coordinates | Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P.
Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K
Acta Crystallographica Section C
52(6)
(1996)
1412-1415 | 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/2/00/50/2005002.cif $
#-------------------------------------------------------------------... | |||||||||||
2,005,003 | 7.75 | 0.003 | 8.474 | 0.003 | 13.683 | 0.007 | 104.49 | 0.04 | 100.02 | 0.03 | 102.83 | 0.03 | 822.8 | 0.7 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C8 H14 Cl4 Cu N4 S2 - | - C8 H14 Cl4 Cu N4 S2 - | - C16 H28 Cl8 Cu2 N8 S4 - | 2 | 1 | JZ1065 | Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P. | Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1412 | 1415 | 10.1107/S010827019501225X | 0.71073 | MoKα | 0.0404 | 0.0284 | null | 0.0774 | 0.0758 | null | null | null | 1.03 | 1.128 | 1.128 | null | null | null | has coordinates | Fernández, V.; Doadrio, J. C.; García-Granda, S.; Pertierra, P.
Bis(2-amino-4-chloromethylthiazolium) Tetrachlorocuprate at 200 and 100K and Bis(2-amino-4-methylthiazolium) Tetrachlorocuprate at 100K
Acta Crystallographica Section C
52(6)
(1996)
1412-1415 | 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/2/00/50/2005003.cif $
#-------------------------------------------------------------------... | |||||||||||
2,005,004 | 7.7451 | 0.0007 | 7.7451 | 0.0007 | 5.6351 | 0.0006 | 90 | null | 90 | null | 90 | null | 338.03 | 0.06 | 295 | 2 | null | null | null | null | null | null | 3 | P 42/n m c :1 | P 4n 2n -1n | 137 | - Bi7.5 O12 Y0.5 - | - Bi8 O12 - | - Bi8 O12 - | 1 | 0.0625 | JZ1066 | Ducke, J.; Trömel, M.; Hohlwein, D.; Kizler, P. | Yttrium and Titanium Bismuthates with Structures Related to β-Bi~2~O~3~ | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1329 | 1331 | 10.1107/S0108270195011267 | neutron | 1.2167 | neutron | null | 0.041 | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ducke, J.; Trömel, M.; Hohlwein, D.; Kizler, P.
Yttrium and Titanium Bismuthates with Structures Related to β-Bi~2~O~3~
Acta Crystallographica Section C
52(6)
(1996)
1329-1331 | 209,442 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-08-07 15:42:10 +0300 (Tue, 07 Aug 2018) $
#$Revision: 209442 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/50/2005004.cif $
#-------------------------------------------------------------------... | ||||||||||
4,322,223 | 11.868 | 0.001 | 12.125 | 0.002 | 15.375 | 0.003 | 88.01 | 0.01 | 82.64 | 0.01 | 88.47 | 0.01 | 2,192.4 | 0.6 | 173 | 2 | 173 | 2 | null | null | null | null | synthesized | 6 | P -1 | -P 1 | 2 | Hexachloro-bis(diethylphenylphosphine)-di-rhenium (II, III), 1,7-isomer, tetrabutylammonium salt | - C36 H66 Cl6 N P2 Re2 - | - C36 H66 Cl6 N P2 Re2 - | - C72 H132 Cl12 N2 P4 Re4 - | 2 | 1 | F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina | Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 6. Rare or Unprecedented Isomers of [Re2Cl6(PR3)2] Stoichiometry | Inorganic Chemistry | 1,999 | 38 | 3889 | 3894 | 10.1021/ic9906095 | 0.71073 | MoKα | 0.0301 | 0.0247 | null | 0.0671 | 0.0646 | null | null | null | 1.101 | 1.115 | 1.115 | null | null | null | has coordinates,has disorder | F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina
Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 6. Rare or Unprecedented Isomers of [Re2Cl6(PR3)2] Stoichiometry
Inorganic Chemistry
38
(1999)
3889-3894 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301838 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322223.cif $
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2,005,005 | 7.7069 | 0.0006 | 7.7069 | 0.0006 | 5.6735 | 0.0004 | 90 | null | 90 | null | 90 | null | 336.98 | 0.04 | 295 | 2 | null | null | null | null | null | null | 3 | P 42/n m c | null | - Bi7.68 O12.16 Ti0.32 - | - Bi8 O12.16 - | - Bi8 O12.16 - | 1 | null | JZ1066 | Ducke, J.; Trömel, M.; Hohlwein, D.; Kizler, P. | Yttrium and Titanium Bismuthates with Structures Related to β-Bi~2~O~3~ | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1329 | 1331 | 10.1107/S0108270195011267 | neutron | 1.2167 | neutron | null | 0.043 | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ducke, J.; Trömel, M.; Hohlwein, D.; Kizler, P.
Yttrium and Titanium Bismuthates with Structures Related to β-Bi~2~O~3~
Acta Crystallographica Section C
52(6)
(1996)
1329-1331 | 208,743 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-07-01 18:06:00 +0300 (Sun, 01 Jul 2018) $
#$Revision: 208743 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/50/2005005.cif $
#-------------------------------------------------------------------... | |||||||||||
2,005,006 | 10.456 | 0.002 | 12.237 | 0.002 | 9.531 | 0.001 | 90 | null | 111 | 0.01 | 90 | null | 1,138.5 | 0.3 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | (2R^*^,4S^*^,6S^*^)-4-chloro-4-methyl-8-oxo-1-azabicyclo[4.2.0]octane -2-carboxylic acid methyl ester | - C10 H14 Cl N O3 - | - C10 H14 Cl N O3 - | - C40 H56 Cl4 N4 O12 - | 4 | 1 | JZ1068 | De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H. | One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1473 | 1479 | 10.1107/S0108270195014788 | 0.71069 | MoKα | 0.049 | 0.049 | null | 0.049 | 0.049 | null | null | null | 0.87 | 0.87 | 0.87 | null | null | null | has coordinates | De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H.
One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds
Acta Crystallographica Section C
52(6)
(1996)
1473-1479 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/50/2005006.cif $
#-------------------------------------------------------------------... | ||||||||||
2,005,007 | 9.732 | 0.002 | 13.903 | 0.003 | 9.116 | 0.002 | 90 | null | 99.99 | 0.01 | 90 | null | 1,214.7 | 0.5 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | (5R^*^,7S^*^,9S^*^)-7-chloro-7-methyl-3-oxo-octahydro-indolizidine-5- carboxylic acid methyl ester | - C11 H16 Cl N O3 - | - C11 H16 Cl N O3 - | - C44 H64 Cl4 N4 O12 - | 4 | 1 | JZ1068 | De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H. | One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1473 | 1479 | 10.1107/S0108270195014788 | 0.71069 | MoKα | 0.048 | 0.048 | null | 0.047 | 0.047 | null | null | null | 0.783 | 0.783 | 0.783 | null | null | null | has coordinates | De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H.
One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds
Acta Crystallographica Section C
52(6)
(1996)
1473-1479 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/50/2005007.cif $
#-------------------------------------------------------------------... | ||||||||||
2,005,008 | 10.5793 | 0.0005 | 13.524 | 0.0008 | 10.4365 | 0.0006 | 90 | null | 118.305 | 0.005 | 90 | null | 1,314.66 | 0.14 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | (5R^*^,6S^*^,10R^*^)-3oxo-6-vinyl-oactahydro-pyrrolo[1,2-a]azepine-5- carboxylic acid methyl ester | - C13 H19 N O3 - | - C13 H19 N O3 - | - C52 H76 N4 O12 - | 4 | 1 | JZ1068 | De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H. | One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1473 | 1479 | 10.1107/S0108270195014788 | 1.5418 | CuKα | 0.047 | 0.047 | null | 0.042 | 0.042 | null | null | null | 0.643 | 0.643 | 0.643 | null | null | null | has coordinates | De Ridder, D. J. A.; Goubitz, K.; Reiss, C. A.; Schenk, H.; Hiemstra, H.
One Bicyclic β-Lactam and Two Bicyclic γ-Lactam Compounds
Acta Crystallographica Section C
52(6)
(1996)
1473-1479 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/50/2005008.cif $
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2,005,009 | 7.418 | 0.001 | 10.814 | 0.002 | 14.039 | 0.002 | 105.4 | 0.01 | 90.26 | 0.01 | 109.97 | 0.01 | 1,014.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Mer-(2'-benzoylisopropylidene-1-naphthohydrazido)-methanol-cis-dioxo- molybdenum(VI) | - C22 H20 Mo N2 O5 - | - C22 H20 Mo N2 O5 - | - C44 H40 Mo2 N4 O10 - | 2 | 1 | JZ1096 | Prelesnik, B.; Ivanovic, I.; Leovac, V. M.; Andjelkovic, K. | <i>mer</i>-[2'-(2-Benzoyl-1-methylethylidene)-1-naphthohydrazido(2–)](methanol)-<i>cis</i>-dioxo-molybdenum(VI) | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1375 | 1377 | 10.1107/S010827019600039X | 0.71069 | MoKα | null | 0.03 | null | null | 0.035 | null | null | null | null | 0.88 | 0.88 | null | null | null | has coordinates | Prelesnik, B.; Ivanovic, I.; Leovac, V. M.; Andjelkovic, K.
<i>mer</i>-[2'-(2-Benzoyl-1-methylethylidene)-1-naphthohydrazido(2–)](methanol)-<i>cis</i>-dioxo-molybdenum(VI)
Acta Crystallographica Section C
52(6)
(1996)
1375-1377 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,010 | 11.533 | 0.003 | 20.585 | 0.006 | 12.217 | 0.002 | 90 | null | 97.2 | 0.02 | 90 | null | 2,877.5 | 1.2 | 213 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C46 H102 Li4 O2 P4 - | - C46 H102 Li4 O2 P4 - | - C92 H204 Li8 O4 P8 - | 2 | 0.5 | JZ1099 | Rabe, G. W.; Riede, J.; Schier, A. | [Li~2~(μ~3~-^<i>t^</i>Bu~2~ P)(μ~2~-^<i>t^</i>Bu~2~P)(thf)]~2~: a Redetermination | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1350 | 1352 | 10.1107/S0108270195017094 | 0.71073 | MoKα | null | 0.0552 | null | null | 0.1216 | null | null | null | null | 1.004 | 1.004 | null | null | null | has coordinates | Rabe, G. W.; Riede, J.; Schier, A.
[Li~2~(μ~3~-^<i>t^</i>Bu~2~ P)(μ~2~-^<i>t^</i>Bu~2~P)(thf)]~2~: a Redetermination
Acta Crystallographica Section C
52(6)
(1996)
1350-1352 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,011 | 6.086 | 0.001 | 11.99 | 0.001 | 23.831 | 0.002 | 90 | null | 90 | null | 90 | null | 1,739 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 3β-hydroxy-20methyl-pregn-5,14-dien-16-on(18–20) lactone | - C21 H26 O4 - | - C21 H26 O4 - | - C84 H104 O16 - | 4 | 1 | JZ1101 | Luger, P.; Weber, M.; Dung, N. X.; Ky, P. T.; The, C. L. | The New Pentacyclic Saponine Ecdysantherin [3β-Hydroxy-20-methylpregn-5,14-dien-16-one-(18–20)-lactone] from <i>Ecdysanthera rosea Hook</i>. <i>et Arn</i>. (<i>Apocynaceae</i>) of Vietnam | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1574 | 1576 | 10.1107/S0108270195017045 | 1.5418 | CuKα,Nifilter | 0.0909 | 0.0436 | null | 0.1323 | 0.1081 | null | null | null | 1.052 | 1.103 | 1.103 | null | null | null | has coordinates | Luger, P.; Weber, M.; Dung, N. X.; Ky, P. T.; The, C. L.
The New Pentacyclic Saponine Ecdysantherin [3β-Hydroxy-20-methylpregn-5,14-dien-16-one-(18–20)-lactone] from <i>Ecdysanthera rosea Hook</i>. <i>et Arn</i>. (<i>Apocynaceae</i>) of Vietnam
Acta Crystallographica Section C
52(6)
(1996)
1574-1576 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,012 | 10.166 | 0.001 | 12.206 | 0.001 | 20.873 | 0.002 | 90 | null | 102.2 | 0.01 | 90 | null | 2,531.6 | 0.4 | 223 | 2 | 223 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 1,3-Dicyclohexyl-2,4-bis(cyclohexylimino)1,3-diazetidine | - C26 H44 N4 - | - C26 H44 N4 - | - C104 H176 N16 - | 4 | 1 | JZ1103 | Goj, O.; Haufe, G.; Fröhlich, R. | 1,3-Dicyclohexyl-2,4-bis(cyclohexylimino)-1,3-diazetidine: Dimer of Dicyclohexylcarbodiimide | Acta Crystallographica Section C | 1,996 | 52 | 6 | 1554 | 1556 | 10.1107/S0108270196000522 | 1.54178 | CuKα | 0.0634 | 0.0505 | null | 0.1557 | 0.1509 | null | null | null | 1.057 | 1.154 | 1.154 | null | null | null | has coordinates | Goj, O.; Haufe, G.; Fröhlich, R.
1,3-Dicyclohexyl-2,4-bis(cyclohexylimino)-1,3-diazetidine: Dimer of Dicyclohexylcarbodiimide
Acta Crystallographica Section C
52(6)
(1996)
1554-1556 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$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/2/00/50/2005012.cif $
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