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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,003,388 | 14.03 | 0.002 | 9.009 | 0.002 | 16.306 | 0.005 | 90 | null | 113.49 | 0.02 | 90 | null | 1,890.2 | 0.8 | 295 | 2 | 295 | 2 | null | null | null | null | chemical synthesis (Sannicolò, 1994). | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4H,6H-dithieno[3,2-c:2',3'-e]oxepine | - C10 H8 O S2 - | - C10 H8 O S2 - | - C80 H64 O8 S16 - | 8 | 2 | NA1119 | Pilati, T. | Five 3,3'-Bridged 2,2'-Dithiophenes | Acta Crystallographica Section C | 1,995 | 51 | 4 | 690 | 697 | 10.1107/S0108270194010516 | 0.71073 | MoKα | null | 0.032 | null | null | 0.036 | null | null | null | null | 1.841 | 1.841 | null | null | null | has coordinates | Pilati, T.
Five 3,3'-Bridged 2,2'-Dithiophenes
Acta Crystallographica Section C
51(4)
(1995)
690-697 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,389 | 7.643 | 0.002 | 24.604 | 0.003 | 7.767 | 0.001 | 90 | null | 115.29 | 0.02 | 90 | null | 1,320.6 | 0.5 | 295 | 2 | 295 | 2 | null | null | null | null | chemical synthesis (Sannicoló, 1994). | 4 | P 1 21/n 1 | -P 2yn | 14 | 6H-4,7,8,10-tetrahydrodithieno[3,2-g,2',3'-i][1,4]dioxacycloundecine, | - C13 H14 O2 S2 - | - C13 H14 O2 S2 - | - C52 H56 O8 S8 - | 4 | 1 | NA1119 | Pilati, T. | Five 3,3'-Bridged 2,2'-Dithiophenes | Acta Crystallographica Section C | 1,995 | 51 | 4 | 690 | 697 | 10.1107/S0108270194010516 | 0.71073 | MoKα | null | 0.032 | null | null | 0.038 | null | null | null | null | 2.097 | 2.097 | null | null | null | has coordinates | Pilati, T.
Five 3,3'-Bridged 2,2'-Dithiophenes
Acta Crystallographica Section C
51(4)
(1995)
690-697 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,390 | 7.999 | 0.001 | 12.06 | 0.002 | 14.93 | 0.002 | 90 | null | 102.46 | 0.01 | 90 | null | 1,406.3 | 0.4 | 295 | 2 | 295 | 2 | null | null | null | null | chemical synthesis (Sannicoló, 1994). | 4 | P 1 21/n 1 | -P 2yn | 14 | 4,6,7,9,10,12-hexahydrodithieno[3,2-c;2',3'-e][1,4,7]trioxacyclotridecine | - C14 H16 O3 S2 - | - C14 H16 O3 S2 - | - C56 H64 O12 S8 - | 4 | 1 | NA1119 | Pilati, T. | Five 3,3'-Bridged 2,2'-Dithiophenes | Acta Crystallographica Section C | 1,995 | 51 | 4 | 690 | 697 | 10.1107/S0108270194010516 | 0.71073 | MoKα | null | 0.035 | null | null | 0.046 | null | null | null | null | 2.024 | 2.024 | null | null | null | has coordinates | Pilati, T.
Five 3,3'-Bridged 2,2'-Dithiophenes
Acta Crystallographica Section C
51(4)
(1995)
690-697 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,391 | 14.168 | 0.002 | 13.323 | 0.002 | 19.47 | 0.003 | 90 | null | 106.72 | 0.01 | 90 | null | 3,519.8 | 0.9 | 153 | 2 | 153 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C31 H19 F24 N S Sn - | - C31 H19 F24 N S Sn - | - C124 H76 F96 N4 S4 Sn4 - | 4 | 1 | NA1120 | Freitag, S.; Herbst-Irmer, R.; Ahlemann, J. T.; Roesky, H. W. | {<i>N</i>-(1-Adamantyl)[(pentafluoro-2-propenyl)thio]-amino}(fluoro)bis[2,4,6-tris(trifluoromethyl)phenyl]tin at 153K | Acta Crystallographica Section C | 1,995 | 51 | 4 | 631 | 633 | 10.1107/S0108270194011996 | 0.71073 | MoKα | 0.063 | 0.0422 | null | 0.1022 | 0.0895 | null | null | null | 1.034 | 1.05 | 1.05 | null | null | null | has coordinates,has disorder,has Fobs | Freitag, S.; Herbst-Irmer, R.; Ahlemann, J. T.; Roesky, H. W.
{<i>N</i>-(1-Adamantyl)[(pentafluoro-2-propenyl)thio]-amino}(fluoro)bis[2,4,6-tris(trifluoromethyl)phenyl]tin at 153K
Acta Crystallographica Section C
51(4)
(1995)
631-633 | 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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2,003,392 | 10.206 | 0.002 | 9.692 | 0.001 | 24.498 | 0.001 | 90 | null | 91.91 | 0.02 | 90 | null | 2,421.9 | 0.5 | 293 | null | 293 | null | null | null | null | null | Janssen Research Foundation, Beerse, Belgium | 5 | P 1 21/c 1 | -P 2ybc | 14 | 2-Methylthio-10,11-dihydro-11-(4-methylpiperazin-1-yl)dibenzo[b,f]thiepine maleic acid | - C24 H28 N2 O4 S2 - | - C24 H28 N2 O4 S2 - | - C96 H112 N8 O16 S8 - | 4 | 1 | NA1122 | Blaton, N. M.; Peeters, O. M.; De Ranter, C. J. | 2-Methylthio-10,11-dihydro-11-(4-methylpiperazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]thiepine Maleic Acid (Metitepine Maleate) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 777 | 780 | 10.1107/S0108270194011637 | 1.54184 | CuKα | 0.0674 | 0.0478 | null | 0.173 | 0.1492 | null | null | null | 1.051 | 1.066 | 1.066 | null | null | null | has coordinates | Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.
2-Methylthio-10,11-dihydro-11-(4-methylpiperazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]thiepine Maleic Acid (Metitepine Maleate)
Acta Crystallographica Section C
51(4)
(1995)
777-780 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,392 | 14.134 | 0.003 | 16.819 | 0.004 | 14.848 | 0.003 | 90 | null | 107.85 | 0.02 | 90 | null | 3,359.8 | 1.3 | 130 | 2 | 130 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Zn(OEBSMe) | - C36 H46 N4 O S Zn - | - C36 H46 N4 O S Zn - | - C144 H184 N16 O4 S4 Zn4 - | 4 | 1 | James A. Johnson; Marilyn M. Olmstead; Alan L. Balch | Reactivity of the Verdoheme Analogues. Opening of the Planar Macrocycle by Amide and Thiolate Nucleophiles To Form Helical Complexes | Inorganic Chemistry | 1,999 | 38 | 5379 | 5383 | 10.1021/ic9904283 | 1.54178 | CuKα | 0.1891 | 0.1016 | null | null | 0.2407 | 0.2866 | null | null | null | null | null | 0.979 | null | null | has coordinates | James A. Johnson; Marilyn M. Olmstead; Alan L. Balch
Reactivity of the Verdoheme Analogues. Opening of the Planar Macrocycle by Amide and Thiolate Nucleophiles To Form Helical Complexes
Inorganic Chemistry
38
(1999)
5379-5383 | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
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2,003,393 | 18.06 | 0.002 | 10.716 | 0.001 | 22.338 | 0.002 | 90 | null | 112.89 | 0.02 | 90 | null | 3,982.7 | 0.9 | 295 | null | 295 | null | null | null | null | null | 3 | P 1 2/c 1 | -P 2yc | 13 | 1,2-Bis-crown-5-calix [4] arene | - C44 H52 O10 - | - C44 O10 - | - C176 O40 - | 4 | 1 | PA1099 | Pèpe, G.; Astier, J.-P.; Estienne, J.; Bressot, C.; Asfari, Z.; Vicens, J. | 1,2-Bis-crown-5-calix[4]arene | Acta Crystallographica Section C | 1,995 | 51 | 4 | 726 | 729 | 10.1107/S0108270194002994 | 1.5416 | CuKα | 0.11 | 0.11 | null | 0.11 | 0.11 | null | null | null | null | null | null | null | null | null | has coordinates | Pèpe, G.; Astier, J.-P.; Estienne, J.; Bressot, C.; Asfari, Z.; Vicens, J.
1,2-Bis-crown-5-calix[4]arene
Acta Crystallographica Section C
51(4)
(1995)
726-729 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,394 | 7.799 | 0.001 | 8.132 | 0.002 | 8.823 | 0.001 | 99.48 | 0.01 | 93.84 | 0.01 | 117.02 | 0.02 | 485.24 | 0.17 | 293 | null | null | null | null | null | null | null | \'evaporation d'une solution aqueuse | 6 | P -1 | -P 1 | 2 | - C10 H24 Cl4 N4 Pd S2 - | - C10 H24 Cl4 N4 Pd S2 - | - C10 H24 Cl4 N4 Pd S2 - | 1 | 0.5 | PA1105 | Viossat, B.; Nguyen-Huy, D.; Rodier, N. | Isotypie Entre les Structures Cristallines des Tétrachlorocuprate(II) et Tétrachloropalladate(II) de <i>S</i>,<i>S</i>'-(Octane-1,8-diyle)bis(thiouronium) | Acta Crystallographica Section C | 1,995 | 51 | 4 | 628 | 629 | 10.1107/S0108270194007432 | 0.7107 | MoKᾱ | null | 0.023 | null | null | 0.029 | null | null | null | null | 1.17 | 1.17 | null | null | null | has coordinates | Viossat, B.; Nguyen-Huy, D.; Rodier, N.
Isotypie Entre les Structures Cristallines des Tétrachlorocuprate(II) et Tétrachloropalladate(II) de <i>S</i>,<i>S</i>'-(Octane-1,8-diyle)bis(thiouronium)
Acta Crystallographica Section C
51(4)
(1995)
628-629 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,395 | 31.1 | 0.01 | 9.452 | 0.005 | 9.507 | 0.004 | 90 | null | 90 | null | 90 | null | 2,795 | 2 | 293 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C28 H30 O10 - | - C28 H30 O10 - | - C112 H120 O40 - | 4 | 1 | PA1115 | Cousson, A.; Dancy, I.; Beau, J.-M. | (1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one | Acta Crystallographica Section C | 1,995 | 51 | 4 | 718 | 721 | 10.1107/S0108270194008048 | 1.5418 | CuKα | null | 0.065 | null | null | 0.078 | null | null | null | null | 1.05 | 1.05 | null | null | null | has coordinates | Cousson, A.; Dancy, I.; Beau, J.-M.
(1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one
Acta Crystallographica Section C
51(4)
(1995)
718-721 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,396 | 18.548 | 0.009 | 11.886 | 0.005 | 9.393 | 0.003 | 90 | null | 90 | null | 90 | null | 2,070.8 | 1.5 | 293 | null | null | null | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | - C14 H10 O - | - C14 H10 O - | - C112 H80 O8 - | 8 | 1 | PA1115 | Cousson, A.; Dancy, I.; Beau, J.-M. | (1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one | Acta Crystallographica Section C | 1,995 | 51 | 4 | 718 | 721 | 10.1107/S0108270194008048 | 1.5418 | CuKα | null | 0.048 | null | null | 0.028 | null | null | null | null | 1.12 | 1.12 | null | null | null | has coordinates | Cousson, A.; Dancy, I.; Beau, J.-M.
(1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one
Acta Crystallographica Section C
51(4)
(1995)
718-721 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,397 | 7.813 | 0.002 | 11.83 | 0.002 | 19.022 | 0.006 | 90 | null | 100.61 | 0.03 | 90 | null | 1,728.1 | 0.8 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | N-Phenyl-4-oxo-tricyclo-3-aza-10-oxa[5.2.1.0^1,5^]-dec-8-ene- 6-carboxylic acid | - C17 H19 N O5 S - | - C17 H19 N O5 S - | - C68 H76 N4 O20 S4 - | 4 | 1 | PA1143 | Pèpe, G.; Reboul, J.-P.; Brun, P.; Zylber, J. | 3-Oxo-2-phenyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline-4-carboxylic Acid in Two Crystalline Phases, Solvated with DMSO and Unsolvated | Acta Crystallographica Section C | 1,995 | 51 | 4 | 729 | 732 | 10.1107/S010827019401142X | 1.5418 | CuKα | 0.044 | 0.044 | null | 0.044 | 0.044 | null | null | null | 0.74 | 0.74 | 0.74 | null | null | null | has coordinates | Pèpe, G.; Reboul, J.-P.; Brun, P.; Zylber, J.
3-Oxo-2-phenyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline-4-carboxylic Acid in Two Crystalline Phases, Solvated with DMSO and Unsolvated
Acta Crystallographica Section C
51(4)
(1995)
729-732 | 198,395 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-04 20:47:29 +0300 (Tue, 04 Jul 2017) $
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2,003,398 | 16.961 | 0.005 | 13.219 | 0.002 | 11.598 | 0.002 | 90 | null | 81.41 | 0.02 | 90 | null | 2,571.2 | 1 | 293 | null | 293 | null | null | null | null | null | 4 | A 1 2/a 1 | -A 2ya | 15 | - C15 H13 N O4 - | - C15 H13 N O4 - | - C120 H104 N8 O32 - | 8 | 1 | PA1143 | Pèpe, G.; Reboul, J.-P.; Brun, P.; Zylber, J. | 3-Oxo-2-phenyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline-4-carboxylic Acid in Two Crystalline Phases, Solvated with DMSO and Unsolvated | Acta Crystallographica Section C | 1,995 | 51 | 4 | 729 | 732 | 10.1107/S010827019401142X | 1.5418 | CuKα | 0.041 | 0.041 | null | 0.041 | 0.041 | null | null | null | 0.93 | 0.93 | 0.93 | null | null | null | has coordinates | Pèpe, G.; Reboul, J.-P.; Brun, P.; Zylber, J.
3-Oxo-2-phenyl-3a,4,5,7a-tetrahydro-5,7a-epoxyisoindoline-4-carboxylic Acid in Two Crystalline Phases, Solvated with DMSO and Unsolvated
Acta Crystallographica Section C
51(4)
(1995)
729-732 | 218,197 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2019-09-11 19:44:08 +0300 (Wed, 11 Sep 2019) $
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2,003,399 | 19.051 | 0.003 | 26.274 | 0.004 | 9.487 | 0.003 | 90 | null | 90 | null | 90 | null | 4,748.7 | 1.8 | 173 | 1 | 173 | 1 | null | null | null | null | see text | 5 | P 21 21 21 | P 2ac 2ab | 19 | 2,2',3,3'-Tetra-O-benzoyl-6,6'-dideoxy-4,4'-di-O-mesyl- 6,6'-dithiocyanato-α,α-trehalose | 2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-α-D-glucoopyranosyl 2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-α-D-glucoopyranoside | - C44 H40 N2 O17 S4 - | - C44 H40 N2 O17 S4 - | - C176 H160 N8 O68 S16 - | 4 | 1 | PA1147 | Linden, A.; Lee, C. K. | 2,2',3,3'-Tetra-<i>O</i>-benzoyl-6,6'-dideoxy-4,4'-di-<i>O</i>-mesyl-6,6'-dithiocyanato-α,α-trehalose | Acta Crystallographica Section C | 1,995 | 51 | 4 | 751 | 754 | 10.1107/S0108270194011595 | 0.71069 | MoKα | 0.0679 | 0.0373 | null | 0.0423 | 0.0381 | null | null | null | null | 1.376 | 1.376 | null | null | null | has coordinates | Linden, A.; Lee, C. K.
2,2',3,3'-Tetra-<i>O</i>-benzoyl-6,6'-dideoxy-4,4'-di-<i>O</i>-mesyl-6,6'-dithiocyanato-α,α-trehalose
Acta Crystallographica Section C
51(4)
(1995)
751-754 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,391 | 22.458 | 0.002 | 10.728 | 0.001 | 19.843 | 0.002 | 90 | null | 90 | null | 90 | null | 4,780.8 | 0.8 | 100 | 2 | 100 | 2 | null | null | null | null | 7 | P c a 21 | P 2c -2ac | 29 | - C42 H50 Cu2 F12 N10 O2 P2 - | - C42 H50 Cu2 F12 N10 O2 P2 - | - C168 H200 Cu8 F48 N40 O8 P8 - | 4 | 1 | Enrico Monzani; Giuseppe Battaini; Angelo Perotti; Luigi Casella; Michele Gullotti; Laura Santagostini; Giorgio Nardin; Lucio Randaccio; Silvano Geremia; Piero Zanello; Giuliana Opromolla | Mechanistic, Structural, and Spectroscopic Studies on the Catecholase Activity of a Dinuclear Copper Complex by Dioxygen | Inorganic Chemistry | 1,999 | 38 | 5359 | 5369 | 10.1021/ic990397b | 0.9 | 0.0919 | 0.0893 | null | 0.2295 | 0.2252 | null | null | null | 1.037 | 1.056 | 1.056 | null | null | null | has coordinates | Enrico Monzani; Giuseppe Battaini; Angelo Perotti; Luigi Casella; Michele Gullotti; Laura Santagostini; Giorgio Nardin; Lucio Randaccio; Silvano Geremia; Piero Zanello; Giuliana Opromolla
Mechanistic, Structural, and Spectroscopic Studies on the Catecholase Activity of a Dinuclear Copper Complex by Dioxygen
Inorganic C... | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,400 | 15.62 | 0.002 | 6.887 | 0.002 | 13.616 | 0.002 | 90 | null | 91.82 | 0.01 | 90 | null | 1,464 | 0.5 | 173 | 1 | 173 | 1 | null | null | null | null | Suitable crystals of the title compound were obtained from aqueous solution. | 4 | C 1 2/c 1 | -C 2yc | 15 | N,N-dimethyl-1H-pyrrole-2-carboxamide | - C7 H10 N2 O - | - C7 H10 N2 O - | - C56 H80 N16 O8 - | 8 | 1 | PA1149 | Linden, A.; Wright, A. D.; König, G. M. | <i>N</i>,<i>N</i>-Dimethyl-1<i>H</i>-pyrrole-2-carboxamide | Acta Crystallographica Section C | 1,995 | 51 | 4 | 744 | 747 | 10.1107/S0108270194011285 | 0.71069 | MoKα | 0.1618 | 0.0442 | null | 0.0461 | 0.0353 | null | null | null | null | 1.611 | 1.611 | null | null | null | has coordinates,has disorder,has Fobs | Linden, A.; Wright, A. D.; König, G. M.
<i>N</i>,<i>N</i>-Dimethyl-1<i>H</i>-pyrrole-2-carboxamide
Acta Crystallographica Section C
51(4)
(1995)
744-747 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003400.cif $
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2,003,401 | 6.771 | 0.004 | 7.516 | 0.002 | 15.765 | 0.004 | 85.19 | 0.02 | 80 | 0.02 | 79.52 | 0.04 | 775.8 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | crystallisation from dry acetone containing small amounts of methanol | 5 | P -1 | -P 1 | 2 | N-n-octyl-N,N-dimethylammonio acetic acid bromide | - C12 H26 Br N O2 - | - C12 H26 Br N O2 - | - C24 H52 Br2 N2 O4 - | 2 | 1 | SE1060 | Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J. | (Carboxymethyl)dimethyloctylammonium Bromide | Acta Crystallographica Section C | 1,995 | 51 | 4 | 766 | 768 | 10.1107/S0108270194006554 | 0.71069 | MoKα | null | 0.039 | null | null | 0.045 | null | null | null | null | 1.604 | 1.604 | null | null | null | has coordinates | Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.
(Carboxymethyl)dimethyloctylammonium Bromide
Acta Crystallographica Section C
51(4)
(1995)
766-768 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003401.cif $
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2,003,402 | 16.154 | 0.003 | 16.483 | 0.006 | 11.454 | 0.006 | 90 | null | 90 | null | 90 | null | 3,050 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P c c n | -P 2ab 2ac | 56 | 1,3-bis[(3-dimethylethylammonium)propyl]-1,1,3,3-tetramethyldisiloxan- diperchlorate | - C18 H46 Cl2 N2 O9 Si2 - | - C18 H46 Cl2 N2 O9 Si2 - | - C72 H184 Cl8 N8 O36 Si8 - | 4 | 0.5 | SE1066 | Rudert, R.; Schmaucks, G.; Zobel, D.; Strumpel, M. | 3,3'-(1,1,3,3,-Tetramethyldisiloxane-1,3-diyl)bis(<i>N</i>-ethyl-<i>N</i>,<i>N</i>-dimethyl-1-propanaminium) Diperchlorate at 163 K and Room Temperature | Acta Crystallographica Section C | 1,995 | 51 | 4 | 763 | 766 | 10.1107/S0108270194008073 | 0.71069 | MoKα | null | 0.082 | null | null | 0.062 | null | null | null | null | 4.02 | 4.02 | null | null | null | has coordinates | Rudert, R.; Schmaucks, G.; Zobel, D.; Strumpel, M.
3,3'-(1,1,3,3,-Tetramethyldisiloxane-1,3-diyl)bis(<i>N</i>-ethyl-<i>N</i>,<i>N</i>-dimethyl-1-propanaminium) Diperchlorate at 163 K and Room Temperature
Acta Crystallographica Section C
51(4)
(1995)
763-766 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003402.cif $
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2,003,403 | 15.676 | 0.003 | 16.433 | 0.005 | 11.316 | 0.003 | 90 | null | 90 | null | 90 | null | 2,915 | 1.3 | 163 | 2 | 163 | 2 | null | null | null | null | 6 | P c c n | -P 2ab 2ac | 56 | 1,3-bis[(3-dimethylethylammonium)propyl]-1,1,3,3-tetramethyldisiloxan- diperchlorate | - C18 H46 Cl2 N2 O9 Si2 - | - C18 H46 Cl2 N2 O9 Si2 - | - C72 H184 Cl8 N8 O36 Si8 - | 4 | 0.5 | SE1066 | Rudert, R.; Schmaucks, G.; Zobel, D.; Strumpel, M. | 3,3'-(1,1,3,3,-Tetramethyldisiloxane-1,3-diyl)bis(<i>N</i>-ethyl-<i>N</i>,<i>N</i>-dimethyl-1-propanaminium) Diperchlorate at 163 K and Room Temperature | Acta Crystallographica Section C | 1,995 | 51 | 4 | 763 | 766 | 10.1107/S0108270194008073 | 1.54178 | CuKα | null | 0.06 | null | null | 0.045 | null | null | null | null | 2.69 | 2.69 | null | null | null | has coordinates | Rudert, R.; Schmaucks, G.; Zobel, D.; Strumpel, M.
3,3'-(1,1,3,3,-Tetramethyldisiloxane-1,3-diyl)bis(<i>N</i>-ethyl-<i>N</i>,<i>N</i>-dimethyl-1-propanaminium) Diperchlorate at 163 K and Room Temperature
Acta Crystallographica Section C
51(4)
(1995)
763-766 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003403.cif $
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2,003,404 | 15.121 | 0.002 | 8.475 | 0.002 | 18.357 | 0.002 | 90 | null | 105.6 | 0.02 | 90 | null | 2,265.8 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | erstmalige Darstellung im stöchiometrischen Ansatz aus den Komponenten KI, I~2~, 2.2-Crypt. | 6 | C 1 2/c 1 | -C 2yc | 15 | Kalium(2.2-Crypt)triiodid | Kalium-1,4,10,13-Tetraoxa-7,16-diazacyclooctadecan-triiodid | - C12 H26 I3 K N2 O4 - | - C12 H26 I3 K N2 O4 - | - C48 H104 I12 K4 N8 O16 - | 4 | 0.5 | SE1068 | Tebbe, K.-F.; Kavoosian, A. | Kalium-2,2-Crypt-triiodid | Acta Crystallographica Section C | 1,995 | 51 | 4 | 562 | 565 | 10.1107/S010827019401005X | 0.71069 | MoKα | 0.041 | 0.0332 | null | 0.1032 | 0.1003 | null | null | null | 1.465 | 1.534 | 1.534 | null | null | null | has coordinates | Tebbe, K.-F.; Kavoosian, A.
Kalium-2,2-Crypt-triiodid
Acta Crystallographica Section C
51(4)
(1995)
562-565 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003404.cif $
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2,003,405 | 9.71 | 0.001 | 7.386 | 0.001 | 15.236 | 0.001 | 90 | null | 90.67 | 0.01 | 90 | null | 1,092.6 | 0.2 | 193 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C21 H27 N Si3 - | - C21 H27 N Si3 - | - C42 H54 N2 Si6 - | 2 | 1 | SE1070 | Mitzel, N. W.; Riede, J.; Schier, A.; Schmidbaur, H. | Tris(<i>p</i>-tolylsilyl)amine | Acta Crystallographica Section C | 1,995 | 51 | 4 | 756 | 758 | 10.1107/S0108270194012163 | 0.71073 | MoKα | null | 0.028 | null | null | 0.0304 | null | null | null | null | 0.411 | 0.411 | null | null | null | has coordinates | Mitzel, N. W.; Riede, J.; Schier, A.; Schmidbaur, H.
Tris(<i>p</i>-tolylsilyl)amine
Acta Crystallographica Section C
51(4)
(1995)
756-758 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003405.cif $
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2,003,406 | 6.791 | 0.003 | 7.554 | 0.004 | 18.304 | 0.007 | 89.89 | 0.05 | 84.06 | 0.04 | 81.94 | 0.08 | 924.6 | 0.8 | 294 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | N-n-octyl-N,N-dimethylammonio acetic acid bromide | - C15 H32 Br N O2 - | - C15 H31 Br N O2 - | - C30 H62 Br2 N2 O4 - | 2 | 1 | SE1072 | Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J. | (Carboxymethyl)dimethylundecylammonium Bromide | Acta Crystallographica Section C | 1,995 | 51 | 4 | 768 | 770 | 10.1107/S0108270194011443 | 0.71073 | MoKα | null | 0.06 | null | null | 0.055 | null | null | null | null | 0.928 | 0.928 | null | null | null | has coordinates | Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.
(Carboxymethyl)dimethylundecylammonium Bromide
Acta Crystallographica Section C
51(4)
(1995)
768-770 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/34/2003406.cif $
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2,003,407 | 9.6093 | 0.0009 | 9.606 | 0.001 | 10.118 | 0.001 | 81.581 | 0.009 | 77.02 | 0.01 | 72.97 | 0.01 | 866.93 | 0.16 | 300 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C18 H15 I Sn - | - C18 H15 I Sn - | - C36 H30 I2 Sn2 - | 2 | 1 | TA1013 | Ng, S. W. | Triphenyltin Iodide | Acta Crystallographica Section C | 1,995 | 51 | 4 | 629 | 631 | 10.1107/S0108270194012400 | 0.71073 | MoKα | null | 0.028 | null | null | 0.03 | null | null | null | null | 0.403 | 0.403 | null | null | null | has coordinates | Ng, S. W.
Triphenyltin Iodide
Acta Crystallographica Section C
51(4)
(1995)
629-631 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/34/2003407.cif $
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2,003,408 | 13.944 | 0.004 | 5.823 | 0.002 | 15.172 | 0.005 | 90 | null | 105.86 | 0.02 | 90 | null | 1,185 | 0.7 | 296 | null | null | null | null | null | null | null | from 99.7% ethanol | 4 | P 1 21/n 1 | -P 2yn | 14 | - C14 H12 O S - | - C14 H13 O S - | - C56 H52 O4 S4 - | 4 | 1 | AB1139 | He, Y.; Su, G.; Shi, J. | 3-(4-Methylphenyl)-1-(3-thienyl)-2-propen-1-one | Acta Crystallographica Section C | 1,995 | 51 | 5 | 989 | 991 | 10.1107/S0108270194008346 | 0.71069 | MoKα | null | 0.058 | null | null | 0.079 | null | null | null | null | 2.4 | 2.4 | null | null | null | has coordinates | He, Y.; Su, G.; Shi, J.
3-(4-Methylphenyl)-1-(3-thienyl)-2-propen-1-one
Acta Crystallographica Section C
51(5)
(1995)
989-991 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/34/2003408.cif $
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2,003,409 | 10.167 | 0.005 | 8.797 | 0.003 | 13.155 | 0.007 | 90 | null | 96.41 | 0.04 | 90 | null | 1,169.2 | 0.9 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H15 N O - | - C14 H15 N O - | - C56 H60 N4 O4 - | 4 | 1 | AB1153 | Hökelek, T.; Gündüz, N.; Hayvali, Z.; Kilic, Z. | Schiff Bases and Their Complexes with Metal Ions. I. 2-Hydroxy-<i>N</i>-<i>n</i>-propyl-1-naphthaldimine (1) and Bis(2-hydroxy-κ<i>O</i>-<i>N</i>-<i>n</i>-propyl-1-naphthaldiminato-κ<i>N</i>)nickel(II) (2) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 880 | 884 | 10.1107/S0108270194009480 | 1.5418 | CuKα | null | 0.055 | null | null | 0.064 | null | null | null | null | null | null | null | null | null | has coordinates | Hökelek, T.; Gündüz, N.; Hayvali, Z.; Kilic, Z.
Schiff Bases and Their Complexes with Metal Ions. I. 2-Hydroxy-<i>N</i>-<i>n</i>-propyl-1-naphthaldimine (1) and Bis(2-hydroxy-κ<i>O</i>-<i>N</i>-<i>n</i>-propyl-1-naphthaldiminato-κ<i>N</i>)nickel(II) (2)
Acta Crystallographica Section C
51(5)
(1995)
880-884 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003409.cif $
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4,322,390 | 10.8252 | 0.0009 | 13.0511 | 0.0009 | 23.089 | 0.002 | 90 | null | 95.72 | 0.006 | 90 | null | 3,245.8 | 0.5 | 571 | 2 | 571 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C25 H37 N3 O4 Ru2 Si2 Zr - | - C25 H27 N3 O4 Ru2 Si2 Zr - | - C100 H108 N12 O16 Ru8 Si8 Zr4 - | 4 | 1 | Lutz H. Gade; Stefan Friedrich; Dominique J. M. Trösch; Ian J. Scowen; Mary McPartlin | Heterodi- and Heterotrinuclear Complexes Containing Highly Polar Metal-Metal Bonds | Inorganic Chemistry | 1,999 | 38 | 5295 | 5307 | 10.1021/ic990350q | 0.71073 | MoKα | 0.0529 | 0.0335 | null | null | 0.0764 | 0.0848 | null | null | null | null | null | 1.037 | null | null | has coordinates,has disorder | Lutz H. Gade; Stefan Friedrich; Dominique J. M. Trösch; Ian J. Scowen; Mary McPartlin
Heterodi- and Heterotrinuclear Complexes Containing Highly Polar Metal-Metal Bonds
Inorganic Chemistry
38
(1999)
5295-5307 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179326 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322390.cif $
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2,003,410 | 10.655 | 0.005 | 10.688 | 0.005 | 12.575 | 0.005 | 119.27 | 0.03 | 96.56 | 0.03 | 103.23 | 0.04 | 1,172.1 | 1.1 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C28 H28 N2 Ni O2 - | - C28 H28 N2 Ni O2 - | - C56 H56 N4 Ni2 O4 - | 2 | 1 | AB1153 | Hökelek, T.; Gündüz, N.; Hayvali, Z.; Kilic, Z. | Schiff Bases and Their Complexes with Metal Ions. I. 2-Hydroxy-<i>N</i>-<i>n</i>-propyl-1-naphthaldimine (1) and Bis(2-hydroxy-κ<i>O</i>-<i>N</i>-<i>n</i>-propyl-1-naphthaldiminato-κ<i>N</i>)nickel(II) (2) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 880 | 884 | 10.1107/S0108270194009480 | 1.5418 | CuKα | null | 0.044 | null | null | 0.064 | null | null | null | null | null | null | null | null | null | has coordinates | Hökelek, T.; Gündüz, N.; Hayvali, Z.; Kilic, Z.
Schiff Bases and Their Complexes with Metal Ions. I. 2-Hydroxy-<i>N</i>-<i>n</i>-propyl-1-naphthaldimine (1) and Bis(2-hydroxy-κ<i>O</i>-<i>N</i>-<i>n</i>-propyl-1-naphthaldiminato-κ<i>N</i>)nickel(II) (2)
Acta Crystallographica Section C
51(5)
(1995)
880-884 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003410.cif $
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2,003,411 | 11.6125 | 0.0009 | 12.6271 | 0.0012 | 16.45 | 0.0014 | 86.415 | 0.007 | 87.307 | 0.007 | 63.307 | 0.007 | 2,150.3 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | 1-triphenylphosphine-μ^3^-(2,7,11)-triphenylphosphinecupradihydrido- closo-1,2-telluracupraoctahydrododecaborane | - C37 H42 B10 Cl2 Cu2 P2 Te - | - C37 H42 B10 Cl2 Cu2 P2 Te - | - C74 H84 B20 Cl4 Cu4 P4 Te2 - | 2 | 1 | AB1219 | Thornton-Pett, M.; Kennedy, J. D.; Faridoon; Spalding, T. R. | {<i>exo</i>-2,7,11-μ~3~-[(μ-H)~2~Cu(PPh~3~)]-2-(PPh~3~)-<i>closo</i>-2,1-CuTeB~10~H~8~}.CH~2~Cl~2~ | Acta Crystallographica Section C | 1,995 | 51 | 5 | 840 | 843 | 10.1107/S0108270194010917 | 0.71069 | MoKα | 0.0546 | 0.0482 | null | 0.1324 | 0.1267 | null | null | null | 1.029 | 1.066 | 1.066 | null | null | null | has coordinates | Thornton-Pett, M.; Kennedy, J. D.; Faridoon; Spalding, T. R.
{<i>exo</i>-2,7,11-μ~3~-[(μ-H)~2~Cu(PPh~3~)]-2-(PPh~3~)-<i>closo</i>-2,1-CuTeB~10~H~8~}.CH~2~Cl~2~
Acta Crystallographica Section C
51(5)
(1995)
840-843 | 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/2/00/34/2003411.cif $
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2,003,412 | 13.0681 | 0.0005 | 6.1093 | 0.0002 | 9.7006 | 0.0003 | 79.535 | 0.002 | 107.879 | 0.002 | 93.968 | 0.002 | 724.73 | 0.04 | 292 | null | null | null | null | null | null | null | 2 | P -1 | -P 1 | 2 | endo-3,3-Diphenyltricyclo[3.2.1.0^2,4^]oct-6-ene | - C20 H18 - | - C20 H18 - | - C40 H36 - | 2 | 1 | AB1249 | Peeran, M.; Wilt, J. W.; Zaluzec, E. J.; Pavkovic, S. F. | <i>endo</i>-3,3-Diphenyltricyclo[3.2.1.0^2,4^]oct-6-ene | Acta Crystallographica Section C | 1,995 | 51 | 5 | 952 | 954 | 10.1107/S0108270195000771 | 1.5418 | CuKα | null | 0.07 | null | null | 0.087 | null | null | null | null | 0.8245 | 0.8245 | null | null | null | has coordinates | Peeran, M.; Wilt, J. W.; Zaluzec, E. J.; Pavkovic, S. F.
<i>endo</i>-3,3-Diphenyltricyclo[3.2.1.0^2,4^]oct-6-ene
Acta Crystallographica Section C
51(5)
(1995)
952-954 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003412.cif $
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2,003,413 | 8.382 | 0.003 | 14.457 | 0.004 | 4.868 | 0.003 | 94.84 | 0.04 | 104.31 | 0.04 | 77.68 | 0.02 | 558.1 | 0.4 | 293 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C13 H10 N4 O - | - C13 H10 N4 O - | - C26 H20 N8 O2 - | 2 | 1 | AS1131 | Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N. | A 1,2-Dihydrodipyrido[1,2-<i>b</i>:3',2'-<i>d</i>]pyrazol-2-one | Acta Crystallographica Section C | 1,995 | 51 | 5 | 942 | 944 | 10.1107/S0108270194012977 | 0.71069 | MoKα | null | 0.046 | null | null | 0.054 | null | null | null | null | 1.63 | 1.63 | null | null | null | has coordinates | Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.
A 1,2-Dihydrodipyrido[1,2-<i>b</i>:3',2'-<i>d</i>]pyrazol-2-one
Acta Crystallographica Section C
51(5)
(1995)
942-944 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003413.cif $
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2,003,414 | 9.593 | 0.003 | 15.915 | 0.002 | 11.427 | 0.002 | 90 | null | 113.89 | 0.013 | 90 | null | 1,595.1 | 0.6 | 296 | 2 | 296 | 2 | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | [(R)-1,2-diethoxycarbonylethyl] bis(dimethylglyoximato)(diphenylmethylphosphine)cobalt(III) | - C29 H40 Co N4 O8 P - | - C29 H40 Co N4 O8 P - | - C58 H80 Co2 N8 O16 P2 - | 2 | 1 | AS1134 | Yamada, T.; Sekine, A.; Uekusa, H.; Ohashi, Y.; Arai, Y.; Ohgo, Y. | [(<i>R</i>)-1,2-Diethoxycarbonylethyl]bis(dimethylglyoximato)(methyldiphenylphosphine)cobalt(III) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 828 | 831 | 10.1107/S0108270194012564 | 0.71073 | MoKα | 0.08 | 0.044 | null | 0.111 | 0.098 | null | null | null | 1.028 | 1.063 | 1.063 | null | null | null | has coordinates | Yamada, T.; Sekine, A.; Uekusa, H.; Ohashi, Y.; Arai, Y.; Ohgo, Y.
[(<i>R</i>)-1,2-Diethoxycarbonylethyl]bis(dimethylglyoximato)(methyldiphenylphosphine)cobalt(III)
Acta Crystallographica Section C
51(5)
(1995)
828-831 | 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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2,003,415 | 13.6382 | 0.0005 | 13.9275 | 0.0008 | 7.7297 | 0.0004 | 90 | null | 90 | null | 90 | null | 1,468.23 | 0.13 | 296 | null | 296 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | N,N-diisopropyl(o-methylphenyl)glyoxylamide | - C15 H21 N O2 - | - C15 H21 N O2 - | - C60 H84 N4 O8 - | 4 | 1 | AS1136 | Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F. | Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives | Acta Crystallographica Section C | 1,995 | 51 | 5 | 929 | 933 | 10.1107/S0108270194012412 | 1.54178 | CuKα | null | 0.055 | null | null | 0.067 | null | null | null | null | 8.69 | 8.69 | null | null | null | has coordinates | Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.
Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives
Acta Crystallographica Section C
51(5)
(1995)
929-933 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,389 | 10.477 | 0.002 | 26.883 | 0.004 | 9.996 | 0.0012 | 90 | null | 113.113 | 0.014 | 90 | null | 2,589.4 | 0.7 | 298 | 2 | 298 | 2 | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C21 H34 N2 O2 Ru Si2 Zr - | - C21 H24 N2 O2 Ru Si2 Zr - | - C84 H96 N8 O8 Ru4 Si8 Zr4 - | 4 | 1 | Lutz H. Gade; Stefan Friedrich; Dominique J. M. Trösch; Ian J. Scowen; Mary McPartlin | Heterodi- and Heterotrinuclear Complexes Containing Highly Polar Metal-Metal Bonds | Inorganic Chemistry | 1,999 | 38 | 5295 | 5307 | 10.1021/ic990350q | 1.54178 | CuKα | 0.0955 | 0.0674 | null | null | 0.1699 | 0.1986 | null | null | null | null | null | 0.99 | null | null | has coordinates | Lutz H. Gade; Stefan Friedrich; Dominique J. M. Trösch; Ian J. Scowen; Mary McPartlin
Heterodi- and Heterotrinuclear Complexes Containing Highly Polar Metal-Metal Bonds
Inorganic Chemistry
38
(1999)
5295-5307 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179326 $
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2,003,416 | 15.438 | 0.002 | 15.343 | 0.002 | 12.685 | 0.001 | 90 | null | 90 | null | 90 | null | 3,004.6 | 0.6 | 296 | null | 296 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | N,N-diisopropyl(p-methylphenyl)glyoxylamide | - C15 H21 N O2 - | - C15 H21 N O2 - | - C120 H168 N8 O16 - | 8 | 1 | AS1136 | Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F. | Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives | Acta Crystallographica Section C | 1,995 | 51 | 5 | 929 | 933 | 10.1107/S0108270194012412 | 1.54178 | CuKα | null | 0.081 | null | null | 0.074 | null | null | null | null | 6.3 | 6.3 | null | null | null | has coordinates | Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.
Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives
Acta Crystallographica Section C
51(5)
(1995)
929-933 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,417 | 16.3 | 0.008 | 6.331 | 0.002 | 7.461 | 0.002 | 90 | null | 95.31 | 0.05 | 90 | null | 766.6 | 0.5 | 296 | null | 296 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | N,N-diisopropyl(m,p-dimethylphenyl)glyoxylamide | - C16 H23 N O2 - | - C16 H23 N O2 - | - C32 H46 N2 O4 - | 2 | 1 | AS1136 | Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F. | Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives | Acta Crystallographica Section C | 1,995 | 51 | 5 | 929 | 933 | 10.1107/S0108270194012412 | 1.54178 | CuKα | null | 0.061 | null | null | 0.062 | null | null | null | null | 9.73 | 9.73 | null | null | null | has coordinates | Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.
Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives
Acta Crystallographica Section C
51(5)
(1995)
929-933 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,418 | 14.369 | 0.001 | 13.5367 | 0.0007 | 8.2496 | 0.0007 | 90 | null | 102.33 | 0.009 | 90 | null | 1,567.6 | 0.2 | 298 | null | null | null | null | null | null | null | slow evaporation from benzene solution | 6 | P 1 21/n 1 | -P 2yn | 14 | - C16 H14 Cl N O3 S - | - C16 H14 Cl N O3 S - | - C64 H56 Cl4 N4 O12 S4 - | 4 | 1 | AS1137 | Shiraga, T.; Iwamoto, T.; Kashino, S. | <i>N</i>-Phenylsulfonyl-<i>N</i>-<i>o</i>-chlorophenylmethacrylamide, C~16~H~14~ClNO~3~S | Acta Crystallographica Section C | 1,995 | 51 | 5 | 976 | 978 | 10.1107/S010827019401200X | 1.54178 | CuKα | null | 0.047 | null | null | 0.06 | null | null | null | null | 1.412 | 1.412 | null | null | null | has coordinates | Shiraga, T.; Iwamoto, T.; Kashino, S.
<i>N</i>-Phenylsulfonyl-<i>N</i>-<i>o</i>-chlorophenylmethacrylamide, C~16~H~14~ClNO~3~S
Acta Crystallographica Section C
51(5)
(1995)
976-978 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003418.cif $
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2,003,419 | 7.964 | 0.001 | 8.859 | 0.001 | 13.229 | 0.002 | 86.34 | 0.01 | 73.71 | 0.01 | 88.25 | 0.01 | 894 | 0.2 | 293 | null | null | null | null | null | null | null | Synthesized | 4 | P -1 | -P 1 | 2 | N-{3-(3,4-Dimethylphenyl)propyl}-4-hydroxy-3-methoxyphenylactamide | - C20 H25 N O3 - | - C20 H25 N O3 - | - C40 H50 N2 O6 - | 2 | 1 | AS1152 | Park, N.-S.; Park, I. Y.; Lee, J. C.; Kim, Y. B. | KR-25003, a Potent Analgesic Capsaicinoid | Acta Crystallographica Section C | 1,995 | 51 | 5 | 927 | 929 | 10.1107/S0108270194013879 | 1.5418 | CuKα | 0.049 | 0.047 | null | 0.049 | 0.048 | null | null | null | 0.526 | 0.537 | 0.537 | null | null | null | has coordinates | Park, N.-S.; Park, I. Y.; Lee, J. C.; Kim, Y. B.
KR-25003, a Potent Analgesic Capsaicinoid
Acta Crystallographica Section C
51(5)
(1995)
927-929 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,420 | 7.652 | 0.002 | 9.716 | 0.002 | 11.757 | 0.003 | 94.66 | 0.03 | 98.25 | 0.04 | 104.17 | 0.04 | 832.5 | 0.4 | 298 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C23 H20 Fe2 - | - C23 H20 Fe2 - | - C46 H40 Fe4 - | 2 | 1 | BK1059 | Trnka, T. M.; Kerber, R. C. | An Unexpected By-Product in the Friedel‒Crafts Acrylation of Ferrocene | Acta Crystallographica Section C | 1,995 | 51 | 5 | 871 | 873 | 10.1107/S0108270194012230 | 0.71073 | MoKα | null | 0.038 | null | null | 0.048 | null | null | null | null | 1.082 | 1.082 | null | null | null | has coordinates | Trnka, T. M.; Kerber, R. C.
An Unexpected By-Product in the Friedel‒Crafts Acrylation of Ferrocene
Acta Crystallographica Section C
51(5)
(1995)
871-873 | 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/2/00/34/2003420.cif $
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2,003,421 | 8.649 | 0.001 | 10.794 | 0.001 | 15.936 | 0.002 | 90 | null | 90 | null | 90 | null | 1,487.7 | 0.3 | 293 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C17 H22 O3 - | - C17 H22 O3 - | - C68 H88 O12 - | 4 | 1 | BK1064 | Abboud, K. A.; Malvestiti, I.; Boldea, L.; Walker, M. A.; Battiste, M. A. | An Intramolecular Diels–Alder Adduct in the Hydroxy-β-ionone Series | Acta Crystallographica Section C | 1,995 | 51 | 5 | 995 | 997 | 10.1107/S0108270194011972 | 0.71073 | MoKα | null | 0.0516 | null | null | 0.053 | null | null | null | null | 1.62 | 1.62 | null | null | null | has coordinates | Abboud, K. A.; Malvestiti, I.; Boldea, L.; Walker, M. A.; Battiste, M. A.
An Intramolecular Diels–Alder Adduct in the Hydroxy-β-ionone Series
Acta Crystallographica Section C
51(5)
(1995)
995-997 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003421.cif $
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2,003,422 | 7.265 | 0.002 | 7.557 | 0.002 | 21.91 | 0.007 | 90 | null | 90 | null | 90 | null | 1,202.9 | 0.6 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | bis(imidazol-2-yl)aminomethane tris(hydrochloride) | - C7 H12 Cl3 N5 - | - C7 H12 Cl3 N5 - | - C28 H48 Cl12 N20 - | 4 | 1 | BK1097 | Mendoza-Díaz, G.; Koolhaas, G. J. A. A.; Driessen, W. L.; Reedijk, J. | Bis(2-imidazolyl)aminomethane Tris(hydrochloride) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 918 | 920 | 10.1107/S010827019401320X | 0.71073 | MoKα | 0.076 | 0.041 | null | 0.057 | 0.052 | null | null | null | 1.611 | 1.826 | 1.826 | null | null | null | has coordinates | Mendoza-Díaz, G.; Koolhaas, G. J. A. A.; Driessen, W. L.; Reedijk, J.
Bis(2-imidazolyl)aminomethane Tris(hydrochloride)
Acta Crystallographica Section C
51(5)
(1995)
918-920 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003422.cif $
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2,003,423 | 7.939 | 0.006 | 17.82 | 0.02 | 8.734 | 0.009 | 90 | null | 94.51 | 0.08 | 90 | null | 1,232 | 2 | 293 | null | 293 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | bis(3,5-dimethylpyrazolylphosphinato)copper(II) | - C20 H28 Cu N8 O4 P2 - | - C20 H28 Cu N8 O4 P2 - | - C40 H56 Cu2 N16 O8 P4 - | 2 | 0.5 | BK1100 | Folkert, S.; Bryan, C. D.; Cordes, A. W.; Tharmaraj, P.; Chandrasekhar, V. | Bis[bis(3,5-dimethyl-1-pyrazolyl)phosphinato]copper(II), [Cu{O~2~P(N~2~C~3~HMe~2~)~2~}~2~] | Acta Crystallographica Section C | 1,995 | 51 | 5 | 863 | 865 | 10.1107/S0108270194013260 | 0.7107 | MoKα | 0.053 | 0.033 | null | 0.059 | 0.053 | null | null | null | null | 0.94 | 0.94 | null | null | null | has coordinates | Folkert, S.; Bryan, C. D.; Cordes, A. W.; Tharmaraj, P.; Chandrasekhar, V.
Bis[bis(3,5-dimethyl-1-pyrazolyl)phosphinato]copper(II), [Cu{O~2~P(N~2~C~3~HMe~2~)~2~}~2~]
Acta Crystallographica Section C
51(5)
(1995)
863-865 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003423.cif $
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2,003,424 | 12.313 | 0.001 | 15.335 | 0.002 | 16.616 | 0.002 | 90 | null | 90 | null | 90 | null | 3,137.4 | 0.6 | 298 | null | 298 | null | null | null | null | null | 6 | C c c a :2 | -C 2a 2ac | 68 | Tetrapyridinodiiodocopper(II)zinc(II) pyridine | - C30 H30 Cu0.92 I2 N6 Zn0.08 - | - C30 H30 Cu0.92 I2 N6 Zn0.08 - | - C120 H120 Cu3.68 I8 N24 Zn0.32 - | 4 | 0.25 | BR1084 | Durand, P. B.; Holt, E. M. | Diiodotetra(pyridine-<i>N</i>)copper(II)zinc(II) Dipyridine | Acta Crystallographica Section C | 1,995 | 51 | 5 | 850 | 852 | 10.1107/S0108270194009285 | 0.71073 | MoKα | null | 0.0316 | null | null | 0.0394 | null | null | null | null | 0.98 | 0.98 | null | null | null | has coordinates,has disorder | Durand, P. B.; Holt, E. M.
Diiodotetra(pyridine-<i>N</i>)copper(II)zinc(II) Dipyridine
Acta Crystallographica Section C
51(5)
(1995)
850-852 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003424.cif $
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2,003,425 | 13.755 | 0.002 | 24.817 | 0.003 | 9.101 | 0.002 | 90 | null | 90 | null | 90 | null | 3,106.7 | 0.9 | 294 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | cholesteryl-4-vinylbenzoate | - C36 H52 O2 - | - C36 H52 O2 - | - C144 H208 O8 - | 4 | 1 | CR1099 | Socci, E. P.; Farmer, B. L.; Chabinyc, M. L.; Fratini, A. V.; Bunning, T. J.; Adams, W. W. | Cholesteryl 4-Vinylbenzoate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 888 | 891 | 10.1107/S0108270194008541 | 0.71073 | Mo_Kα | null | 0.071 | null | null | 0.064 | null | null | null | null | 1.912 | 1.912 | null | null | null | has coordinates | Socci, E. P.; Farmer, B. L.; Chabinyc, M. L.; Fratini, A. V.; Bunning, T. J.; Adams, W. W.
Cholesteryl 4-Vinylbenzoate
Acta Crystallographica Section C
51(5)
(1995)
888-891 | 208,466 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-17 18:45:41 +0300 (Sun, 17 Jun 2018) $
#$Revision: 208466 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/34/2003425.cif $
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4,322,388 | 20.7102 | 0.0015 | 10.8962 | 0.0012 | 11.7166 | 0.0013 | 90 | null | 102.703 | 0.007 | 90 | null | 2,579.3 | 0.5 | 297 | 2 | 297 | 2 | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | 15 | - C17 H40 Cl2 N2 O2 Si2 Zr - | - C17 H40 Cl2 N2 O2 Si2 Zr - | - C68 H160 Cl8 N8 O8 Si8 Zr4 - | 4 | 0.5 | Lutz H. Gade; Stefan Friedrich; Dominique J. M. Trösch; Ian J. Scowen; Mary McPartlin | Heterodi- and Heterotrinuclear Complexes Containing Highly Polar Metal-Metal Bonds | Inorganic Chemistry | 1,999 | 38 | 5295 | 5307 | 10.1021/ic990350q | 0.71073 | MoKα | 0.0956 | 0.0475 | null | 0.0993 | 0.0844 | null | null | null | 1.007 | 1.078 | 1.078 | null | null | null | has coordinates,has disorder | Lutz H. Gade; Stefan Friedrich; Dominique J. M. Trösch; Ian J. Scowen; Mary McPartlin
Heterodi- and Heterotrinuclear Complexes Containing Highly Polar Metal-Metal Bonds
Inorganic Chemistry
38
(1999)
5295-5307 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179326 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322388.cif $
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2,003,426 | 6.6946 | 0.0002 | 7.0268 | 0.0001 | 8.3216 | 0.0004 | 90 | null | 107.21 | 0.03 | 90 | null | 373.93 | 0.06 | 295 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C8 H10 N2 - | - C8 H10 N2 - | - C16 H20 N4 - | 2 | 0.5 | CR1126 | Echeverria, G.; Punte, G.; Rivero, B. E.; Barón, M. | Conformational Studies of <i>trans</i>-1,4-Substituted Cyclohexanes. I. <i>trans</i>-1,4-Cyclohexanedicarbonitrile | Acta Crystallographica Section C | 1,995 | 51 | 5 | 1020 | 1023 | 10.1107/S0108270194010991 | 0.7093 | MoKα | null | 0.04 | null | null | 0.039 | null | null | null | null | 2.19 | 2.19 | null | null | null | has coordinates | Echeverria, G.; Punte, G.; Rivero, B. E.; Barón, M.
Conformational Studies of <i>trans</i>-1,4-Substituted Cyclohexanes. I. <i>trans</i>-1,4-Cyclohexanedicarbonitrile
Acta Crystallographica Section C
51(5)
(1995)
1020-1023 | 278,309 | 2022-10-03 | 9:59:32 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 12:59:31 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278309 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/34/2003426.cif $
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2,003,427 | 11.92 | 0.008 | 6.885 | 0.005 | 6.457 | 0.003 | 90 | null | 112.14 | 0.05 | 90 | null | 490.8 | 0.6 | 295 | null | null | null | null | null | null | null | 4 | C 1 2/m 1 | -C 2y | 12 | - C8 H8 Br2 N2 - | - C8 H8 Br2 N2 - | - C16 H16 Br4 N4 - | 2 | 0.25 | CR1127 | Echeverria, G.; Punte, G.; Rivero, B. E.; Barón, M. | Conformational Studies of <i>trans</i>-1,4-Substituted Cyclohexanes. II. <i>trans</i>-1,4-Dibromo-1,4-cyclohexanedicarbonitrile, C~8~H~8~Br~2~N~2~ | Acta Crystallographica Section C | 1,995 | 51 | 5 | 1023 | 1026 | 10.1107/S010827019401098X | 0.7093 | MoKα | null | 0.037 | null | null | 0.037 | null | null | null | null | 1.39 | 1.39 | null | null | null | has coordinates | Echeverria, G.; Punte, G.; Rivero, B. E.; Barón, M.
Conformational Studies of <i>trans</i>-1,4-Substituted Cyclohexanes. II. <i>trans</i>-1,4-Dibromo-1,4-cyclohexanedicarbonitrile, C~8~H~8~Br~2~N~2~
Acta Crystallographica Section C
51(5)
(1995)
1023-1026 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,428 | 14.589 | 0.003 | 13.384 | 0.003 | 8.158 | 0.003 | 90 | null | 91.65 | 0.03 | 90 | null | 1,592.3 | 0.8 | 294 | null | null | null | null | null | null | null | Prof. Harry Wasserman of Yale University | 2 | P 1 21/c 1 | -P 2ybc | 14 | - C24 H20 - | - C24 H20 - | - C96 H80 - | 4 | 1 | CR1130 | Fratini, A. V.; Chabinyc, M. L.; Perko, T. J.; Adams, W. W. | <i>Syn</i> and <i>Anti</i> Isomers of [2.2]Paracyclonaphthane | Acta Crystallographica Section C | 1,995 | 51 | 5 | 904 | 908 | 10.1107/S0108270194009959 | 0.71073 | Mo-Kα | null | 0.047 | null | null | 0.058 | null | null | null | null | 1.347 | 1.347 | null | null | null | has coordinates | Fratini, A. V.; Chabinyc, M. L.; Perko, T. J.; Adams, W. W.
<i>Syn</i> and <i>Anti</i> Isomers of [2.2]Paracyclonaphthane
Acta Crystallographica Section C
51(5)
(1995)
904-908 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,429 | 8.371 | 0.003 | 11.807 | 0.004 | 16.704 | 0.008 | 90 | null | 103.49 | 0.03 | 90 | null | 1,605.4 | 1.1 | 294 | null | null | null | null | null | null | null | Prof. Harry Wasserman of Yale University | 2 | P 1 21/n 1 | -P 2yn | 14 | - C24 H20 - | - C24 H20 - | - C96 H80 - | 4 | 1 | CR1130 | Fratini, A. V.; Chabinyc, M. L.; Perko, T. J.; Adams, W. W. | <i>Syn</i> and <i>Anti</i> Isomers of [2.2]Paracyclonaphthane | Acta Crystallographica Section C | 1,995 | 51 | 5 | 904 | 908 | 10.1107/S0108270194009959 | 0.71073 | Mo-Kα | null | 0.042 | null | null | 0.056 | null | null | null | null | 1.431 | 1.431 | null | null | null | has coordinates | Fratini, A. V.; Chabinyc, M. L.; Perko, T. J.; Adams, W. W.
<i>Syn</i> and <i>Anti</i> Isomers of [2.2]Paracyclonaphthane
Acta Crystallographica Section C
51(5)
(1995)
904-908 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,430 | 12.286 | 0.003 | 12.286 | 0.003 | 45.744 | 0.002 | 90 | null | 90 | null | 90 | null | 6,905 | 2 | 222 | null | null | null | null | null | null | null | natural product | 4 | P 43 21 2 | P 4nw 2abw | null | - C68 H106 Na2 O16 - | - C68 H106 Na2 O16 - | - C272 H424 Na8 O64 - | 4 | 0.5 | CR1138 | Shui, X.; Eggleston, D. S. | Two Lasalocid Sodium Salts | Acta Crystallographica Section C | 1,995 | 51 | 5 | 805 | 809 | 10.1107/S0108270194010450 | 1.54184 | CuKα | null | 0.055 | null | null | 0.079 | null | null | null | null | 1.763 | 1.763 | null | null | null | has coordinates | Shui, X.; Eggleston, D. S.
Two Lasalocid Sodium Salts
Acta Crystallographica Section C
51(5)
(1995)
805-809 | 283,803 | 2023-05-16 | 8:05:52 | #------------------------------------------------------------------------------
#$Date: 2023-05-16 11:05:35 +0300 (Tue, 16 May 2023) $
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2,003,431 | 12.9 | 0.01 | 17.2 | 0.02 | 17.9 | 0.04 | 90 | null | 99.79 | 0.06 | 90 | null | 3,914 | 10 | 218 | null | null | null | null | null | null | null | natural product | 4 | P 1 21 1 | null | - C38 H63 Na O9 - | - C40 H58 Na O9 - | - C160 H232 Na4 O36 - | 4 | 2 | CR1138 | Shui, X.; Eggleston, D. S. | Two Lasalocid Sodium Salts | Acta Crystallographica Section C | 1,995 | 51 | 5 | 805 | 809 | 10.1107/S0108270194010450 | 0.71073 | MoKα | null | 0.044 | null | null | 0.06 | null | null | null | null | 1.857 | 1.857 | null | null | null | has coordinates | Shui, X.; Eggleston, D. S.
Two Lasalocid Sodium Salts
Acta Crystallographica Section C
51(5)
(1995)
805-809 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,432 | 9.4029 | 0.0006 | 13.6474 | 0.001 | 13.1142 | 0.001 | 90 | null | 107.806 | 0.006 | 90 | null | 1,602.3 | 0.2 | 295 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C13 H14 Cl6 - | - C15 H14 Cl6 - | - C60 H56 Cl24 - | 4 | 1 | CR1147 | Garcia, J. G.; Fronczek, F. R. | <i>endo</i>-1,10,11,12,13,13-Hexachlorotricyclo[8.2.1.0^2,9^]trideca-11-ene | Acta Crystallographica Section C | 1,995 | 51 | 5 | 987 | 989 | 10.1107/S0108270194011479 | 1.54184 | CuKα | null | 0.056 | null | null | 0.08 | null | null | null | null | 2.64 | 2.64 | null | null | null | has coordinates | Garcia, J. G.; Fronczek, F. R.
<i>endo</i>-1,10,11,12,13,13-Hexachlorotricyclo[8.2.1.0^2,9^]trideca-11-ene
Acta Crystallographica Section C
51(5)
(1995)
987-989 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,433 | 9.4675 | 0.0012 | 10.1833 | 0.0013 | 8.2964 | 0.001 | 112.383 | 0.004 | 106.408 | 0.005 | 91.788 | 0.004 | 700.74 | 0.16 | 294 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | 1-benzyl-5-methoxycarbonylmethylthio-4-nitroimidazole | - C13 H13 N3 O4 S - | - C13 H13 N3 O4 S - | - C26 H26 N6 O8 S2 - | 2 | 1 | CR1152 | Saadeh, H.; Thompson, C. M.; Fernandez, E.; Pavkovic, S. F. | 1-Benzyl-5-methoxycarbonylmethylthio-4-nitroimidazole | Acta Crystallographica Section C | 1,995 | 51 | 5 | 950 | 952 | 10.1107/S0108270194013430 | 0.7107 | MoKα | null | 0.04 | null | null | 0.047 | null | null | null | null | 1.175 | 1.175 | null | null | null | has coordinates | Saadeh, H.; Thompson, C. M.; Fernandez, E.; Pavkovic, S. F.
1-Benzyl-5-methoxycarbonylmethylthio-4-nitroimidazole
Acta Crystallographica Section C
51(5)
(1995)
950-952 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,434 | 13.588 | 0.002 | 8.286 | 0.001 | 14.683 | 0.002 | 90 | null | 110.51 | 0.01 | 90 | null | 1,548.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | JM216 | Bis(acetato)-ammine-dichloro-cyclohexylamine platinum(IV) | - C10 H22 Cl2 N2 O4 Pt - | - C10 H22 Cl2 N2 O4 Pt - | - C40 H88 Cl8 N8 O16 Pt4 - | 4 | 1 | CR1156 | Neidle, S.; Snook, C. F.; Murrer, B. A.; Barnard, C. F. J. | Bis(acetato)amminedichloro(cyclohexylamine)platinum(IV), an Orally Active Anticancer Drug | Acta Crystallographica Section C | 1,995 | 51 | 5 | 822 | 824 | 10.1107/S0108270194013600 | 1.54051 | CuKα | 0.0417 | 0.037 | null | 0.1147 | 0.111 | null | null | null | 0.971 | 0.981 | 0.981 | null | null | null | has coordinates | Neidle, S.; Snook, C. F.; Murrer, B. A.; Barnard, C. F. J.
Bis(acetato)amminedichloro(cyclohexylamine)platinum(IV), an Orally Active Anticancer Drug
Acta Crystallographica Section C
51(5)
(1995)
822-824 | 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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4,322,387 | 19.4108 | 0.0008 | 11.3257 | 0.0005 | 18.0304 | 0.0008 | 90 | null | 106.166 | 0.001 | 90 | null | 3,807.1 | 0.3 | 213 | 2 | 213 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C42 H30 S6 W - | - C42 H30 S6 W - | - C168 H120 S24 W4 - | 4 | 0.5 | Christine A. Goddard; R. H. Holm | Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se) | Inorganic Chemistry | 1,999 | 38 | 5389 | 5398 | 10.1021/ic9903329 | 0.71073 | MoKα | 0.0493 | 0.0314 | null | 0.0614 | 0.0573 | null | null | null | 1.013 | 1.068 | 1.068 | null | null | null | has coordinates,has disorder | Christine A. Goddard; R. H. Holm
Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se)
Inorganic Chemistry
38
(1999)
5389-5398 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,435 | 6.025 | 0.004 | 7.566 | 0.004 | 9.588 | 0.005 | 90 | null | 101.64 | 0.04 | 90 | null | 428.1 | 0.4 | 293 | null | null | null | null | null | null | null | Méthanol | 4 | P 1 c 1 | P -2yc | 7 | - C7 H13 N O4 - | - C7 H13 N O4 - | - C14 H26 N2 O8 - | 2 | 1 | DU1031 | Oddon, Y.; Reboul, J.-P.; Pèpe, G.; Siri, D.; Pucci, B.; Pavia, A. A. | 2-Acrylamido-2-hydroxymethylpropan-1,3-diol | Acta Crystallographica Section C | 1,995 | 51 | 5 | 974 | 976 | 10.1107/S0108270194000636 | 1.5418 | CuKα | null | 0.031 | null | null | 0.031 | null | null | null | null | 0.21 | 0.21 | null | null | null | has coordinates | Oddon, Y.; Reboul, J.-P.; Pèpe, G.; Siri, D.; Pucci, B.; Pavia, A. A.
2-Acrylamido-2-hydroxymethylpropan-1,3-diol
Acta Crystallographica Section C
51(5)
(1995)
974-976 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,436 | 9.1937 | 0.0007 | 11.121 | 0.001 | 20.014 | 0.001 | 90 | null | 90 | null | 90 | null | 2,046.3 | 0.3 | 295 | null | null | null | null | null | null | null | 3 | P b c n | -P 2n 2ab | 60 | - Ce Mo8 O14 - | - Ce Mo8 O14 - | - Ce8 Mo64 O112 - | 8 | 1 | DU1086 | Kerihuel, G.; Gougeon, P. | CeMo~8~O~14~, a Third Crystalline Form of the <i>R</i>Mo~8~O~14~ Series (<i>R</i> = La, Ce, Pr, Nd, Sm) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 787 | 790 | 10.1107/S0108270194010681 | 0.71073 | MoKα | null | 0.04 | null | null | 0.042 | null | null | null | null | 1.582 | 1.582 | null | null | null | has coordinates | Kerihuel, G.; Gougeon, P.
CeMo~8~O~14~, a Third Crystalline Form of the <i>R</i>Mo~8~O~14~ Series (<i>R</i> = La, Ce, Pr, Nd, Sm)
Acta Crystallographica Section C
51(5)
(1995)
787-790 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,437 | 14.883 | 0.003 | 12.447 | 0.004 | 12.56 | 0.003 | 90 | null | 90 | null | 90 | null | 2,327 | 1 | 293 | null | null | null | null | null | null | null | ? | 2 | P n m a | -P 2ac 2n | 62 | - Al10 Mn3 - | - Al10.01 Mn2.99 - | - Al120.12 Mn35.88 - | 12 | 1.5 | Pavlyuk, Volodymyr V.; Yanson, Tamara I.; Bodak, Oksana I.; Černý, Radovan; Gladyshevskii, Roman E.; Yvon, Klaus; Stepien-Damm, Julia | Structure Refinement of Orthorhombic MnAl~3~ | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 5 | 792 | 794 | 10.1107/s0108270194012965 | 0.71073 | MoKα | null | 0.045 | null | null | 0.025 | null | null | null | null | 1.316 | 1.316 | null | null | null | has coordinates | Pavlyuk, Volodymyr V.; Yanson, Tamara I.; Bodak, Oksana I.; Černý, Radovan; Gladyshevskii, Roman E.; Yvon, Klaus; Stepien-Damm, Julia
Structure Refinement of Orthorhombic MnAl~3~
Acta Crystallographica, Section C: Crystal Structure Communications
51(5)
(1995)
792-794 | 200,796 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,438 | 14.192 | 0.001 | 6.424 | 0.001 | 7.317 | 0.001 | 90 | null | 90 | null | 90 | null | 667.1 | 0.1 | 294 | null | null | null | null | null | null | null | solid-state synthesis | 4 | P n m a | -P 2ac 2n | 62 | - Ca O9 P2 V2 - | - Ca O9 P2 V2 - | - Ca4 O36 P8 V8 - | 4 | 0.5 | Boudin, S.; Grandin, A.; Leclaire, A.; Borel, M. M.; Raveau, B. | CaV~2~O(PO~4~)~2~, Isotypic with the Cd Phase | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 5 | 796 | 798 | 10.1107/S0108270194011649 | 0.71073 | MoKα | null | 0.03 | null | null | 0.032 | null | null | null | null | 0.999 | 0.999 | null | 1,001,656 | null | has coordinates | Boudin, S.; Grandin, A.; Leclaire, A.; Borel, M. M.; Raveau, B.
CaV~2~O(PO~4~)~2~, Isotypic with the Cd Phase
Acta Crystallographica, Section C: Crystal Structure Communications
51(5)
(1995)
796-798 | 287,519 | 2023-11-10 | 19:29:21 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
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2,003,439 | 9.012 | 0.001 | 9.012 | 0.001 | 8.027 | 0.001 | 90 | null | 90 | null | 120 | null | 564.58 | 0.11 | 293 | null | null | null | null | null | null | null | 4 | P -6 2 c | P -6c -2c | 190 | - K3 Nb3 O13 Si2 - | - K3 Nb3 O13 Si2 - | - K6 Nb6 O26 Si4 - | 2 | 0.166667 | DU1095 | Jaulmes, S.; Launay, S.; Mahé, P.; Quarton, M. | Silicatoniobate de Potassium, K~3~Nb~3~O~6~Si~2~O~7~ | Acta Crystallographica Section C | 1,995 | 51 | 5 | 794 | 796 | 10.1107/S0108270194012114 | 0.71073 | MoKα | null | 0.045 | null | null | 0.061 | null | null | null | null | 0.8 | 0.8 | null | null | null | has coordinates | Jaulmes, S.; Launay, S.; Mahé, P.; Quarton, M.
Silicatoniobate de Potassium, K~3~Nb~3~O~6~Si~2~O~7~
Acta Crystallographica Section C
51(5)
(1995)
794-796 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,440 | 5.656 | 0.001 | 9.066 | 0.001 | 10.42 | 0.001 | 109.694 | 0.01 | 103.062 | 0.01 | 90.688 | 0.01 | 487.77 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | o-Anisidinium Dihydrogenomonophosphate | - C7 H12 N O5 P - | - C7 H12 N O5 P - | - C14 H24 N2 O10 P2 - | 2 | 1 | DU1096 | Ould Abdellahi, M.; Jouini, T. | <i>o</i>-Anisidinium Dihydrogenmonophosphate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 922 | 923 | 10.1107/S0108270194010668 | 0.712 | MoKα | 0.0481 | 0.0408 | null | 0.1644 | 0.1449 | null | null | null | 0.253 | 0.239 | 0.239 | null | null | null | has coordinates | Ould Abdellahi, M.; Jouini, T.
<i>o</i>-Anisidinium Dihydrogenmonophosphate
Acta Crystallographica Section C
51(5)
(1995)
922-923 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,441 | 16.095 | 0.001 | 8.49 | 0.001 | 16.907 | 0.0001 | 90 | 0.01 | 116.104 | 0.001 | 90 | 0.01 | 2,074.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | m-Anisidinium Dihydrogenomonophosphate | - C7 H12 N O5 P - | - C7 H12 N O5 P - | - C56 H96 N8 O40 P8 - | 8 | 2 | DU1098 | Ould Abdellahi, M.; Jouini, T. | <i>m</i>-Anisidinium Dihydrogenmonophosphate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 924 | 926 | 10.1107/S0108270194011558 | 0.71069 | MoKα | 0.0727 | 0.0484 | null | 0.1064 | 0.1013 | null | null | null | 1.282 | 1.42 | 1.42 | null | null | null | has coordinates | Ould Abdellahi, M.; Jouini, T.
<i>m</i>-Anisidinium Dihydrogenmonophosphate
Acta Crystallographica Section C
51(5)
(1995)
924-926 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,442 | 7.932 | 0.002 | 7.321 | 0.002 | 10.403 | 0.003 | 90 | null | 106.93 | 0.03 | 90 | null | 577.9 | 0.3 | 293 | 1 | null | null | null | null | null | null | recrystallization of the commercial product | 4 | P 1 21/c 1 | -P 2ybc | 14 | - H8 N2 O6 S - | - H8 N2 O6 S - | - H32 N8 O24 S4 - | 4 | 1 | DU1099 | Mirceva, A.; Golic, L. | Hydroxylammonium Sulfate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 798 | 800 | 10.1107/S0108270194013351 | 0.71069 | MoKα | null | 0.026 | null | null | 0.026 | null | null | null | null | 0.363 | 0.363 | null | null | null | has coordinates | Mirceva, A.; Golic, L.
Hydroxylammonium Sulfate
Acta Crystallographica Section C
51(5)
(1995)
798-800 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,443 | 9.3781 | 0.0005 | 8.2216 | 0.0006 | 13.5971 | 0.0006 | 90 | null | 104.903 | 0.004 | 90 | null | 1,013.11 | 0.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | para-Anisidinium Dihydrogénophosphate | - C7 H12 N O5 P - | - C7 H12 N O5 P - | - C28 H48 N4 O20 P4 - | 4 | 1 | DU1105 | Ben Amor, F.; Soumhi, E. H.; Ould Abdellahi, M.; Jouini, T. | <i>p</i>-Anisidinium Dihydrogénophosphate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 933 | 935 | 10.1107/S0108270194014289 | 0.71069 | MoKα | 0.0441 | 0.0394 | null | 0.106 | 0.1033 | null | null | null | 1.13 | 1.164 | 1.164 | null | null | null | has coordinates | Ben Amor, F.; Soumhi, E. H.; Ould Abdellahi, M.; Jouini, T.
<i>p</i>-Anisidinium Dihydrogénophosphate
Acta Crystallographica Section C
51(5)
(1995)
933-935 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,444 | 13.428 | 0.002 | 11.78 | 0.002 | 12.318 | 0.002 | 90 | null | 115.4 | 0.01 | 90 | null | 1,760.1 | 0.5 | 294 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C16 H14 Cl3 Mn N2 O3 - | - C16 H14 Cl3 Mn N2 O3 - | - C64 H56 Cl12 Mn4 N8 O12 - | 4 | 1 | FG1002 | Horwitz, C. P.; Dailey, G. C.; Tham, F. S. | Aquachloro[bis(5-chlorosalicylidene)ethylenediaminato]manganese(III) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 815 | 817 | 10.1107/S0108270194012308 | 0.71069 | MoKα | null | 0.0311 | null | null | 0.0416 | null | null | null | null | 1.0829 | 1.0829 | null | null | null | has coordinates | Horwitz, C. P.; Dailey, G. C.; Tham, F. S.
Aquachloro[bis(5-chlorosalicylidene)ethylenediaminato]manganese(III)
Acta Crystallographica Section C
51(5)
(1995)
815-817 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,003,445 | 14.936 | 0.004 | 15.088 | 0.004 | 25.727 | 0.006 | 90 | null | 92.44 | 0.02 | 90 | null | 5,792 | 3 | 113 | null | 113 | null | null | null | null | null | Cram et al. (1987) | 4 | P 1 21/n 1 | -P 2yn | 14 | 41,42,43,44,45,46,47,48-Octamethoxy-4,9,14,19,24,29,34,39-octamethylnonacyclo (35.3.1.1^2,6^.1^7,11^.1^12,16^.1^17,21^.1^22,26^.1^27,31^.1^32,36^) octatetraconta-1(41),2,4,6(42),7,9,11(43),12,14,16(44),17,19,21(45),22,24,26(46) ,27,29,31(47),32,34,36(48),37,39-tetracosaene dichloromethane clathrate | - C65 H66 Cl2 O8 - | - C65 H66 Cl4 O8 - | - C260 H264 Cl16 O32 - | 4 | 1 | FG1015 | Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I. | Octaanisyl Cavitands and a Related Caviplex | Acta Crystallographica Section C | 1,995 | 51 | 5 | 894 | 904 | 10.1107/S0108270194013594 | 1.54184 | CuKα | 0.077 | 0.07 | null | 0.081 | 0.076 | null | null | null | 2.81 | 2.85 | 2.85 | null | null | null | has coordinates | Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.
Octaanisyl Cavitands and a Related Caviplex
Acta Crystallographica Section C
51(5)
(1995)
894-904 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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4,322,386 | 19.58 | 0.004 | 23.655 | 0.006 | 21.797 | 0.006 | 90 | null | 91.964 | 0.01 | 90 | null | 10,090 | 4 | 213 | 2 | 213 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C56 H53.5 N1.5 S6 W - | - C56 H53.5 N1.5 S6 W - | - C448 H428 N12 S48 W8 - | 8 | 2 | Christine A. Goddard; R. H. Holm | Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se) | Inorganic Chemistry | 1,999 | 38 | 5389 | 5398 | 10.1021/ic9903329 | 0.71073 | MoKα | 0.0534 | 0.0289 | null | null | 0.0628 | 0.0722 | null | null | null | null | null | 1.012 | null | null | has coordinates | Christine A. Goddard; R. H. Holm
Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se)
Inorganic Chemistry
38
(1999)
5389-5398 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
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2,003,446 | 14.117 | 0.006 | 27.796 | 0.009 | 14.845 | 0.004 | 90 | null | 94.29 | 0.03 | 90 | null | 5,809 | 3 | 115 | null | 115 | null | null | null | null | null | Cram et al. (1987) | 3 | P 1 21/n 1 | -P 2yn | 14 | 41,42,43,44,45,46,47,48-Octamethoxy-4,9,14,19,24,29,34,39-octamethylnonacyclo (35.3.1.1^2,6^.1^7,11^.1^12,16^.1^17,21^.1^22,26^.1^27,31^.1^32,36^) octatetraconta-1(41),2,4,6(42),7,9,11(43),12,14,16(44),17,19,21(45),22,24,26(46) ,27,29,31(47),32,34,36(48),37,39-tetracosaene ethanol clathrate | - C66 H70 O9 - | - C70 H64 O11 - | - C280 H256 O44 - | 4 | 1 | FG1015 | Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I. | Octaanisyl Cavitands and a Related Caviplex | Acta Crystallographica Section C | 1,995 | 51 | 5 | 894 | 904 | 10.1107/S0108270194013594 | 1.54184 | CuKα | 0.087 | 0.082 | null | 0.088 | 0.085 | null | null | null | 3.48 | 3.53 | 3.53 | null | null | null | has coordinates | Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.
Octaanisyl Cavitands and a Related Caviplex
Acta Crystallographica Section C
51(5)
(1995)
894-904 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,447 | 17.088 | 0.005 | 19.691 | 0.006 | 20.392 | 0.006 | 90 | null | 90 | null | 90 | null | 6,861 | 4 | 115 | null | 115 | null | null | null | null | null | Cram et al. (1987) | 5 | P n a m | -P 2c 2n | 62 | Octamethoxy-octamethylnonacyclo(35.3.1.1^2,6^.1^7,11^.1^12,16^.1 ^17,21^.1^22,26^.1^27,31^.1^32,36^)octatetraconta-1(41),2,4,6(42),7,9,11(43),12, 14,16(44),17,19,21(45),22,24,26(46),27,29,31(47),32,34,36(48),37,39-tetracosaene cesium perchlorate dichloromethane clathrate | - C65 H66 Cl3 Cs O12 - | - C65 H66 Cl6 Cs O12 - | - C260 H264 Cl24 Cs4 O48 - | 4 | 0.5 | FG1015 | Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I. | Octaanisyl Cavitands and a Related Caviplex | Acta Crystallographica Section C | 1,995 | 51 | 5 | 894 | 904 | 10.1107/S0108270194013594 | 0.71073 | MoKα | 0.152 | 0.091 | null | 0.108 | 0.079 | null | null | null | 1.62 | 1.83 | 1.83 | null | null | null | has coordinates | Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.
Octaanisyl Cavitands and a Related Caviplex
Acta Crystallographica Section C
51(5)
(1995)
894-904 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
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2,003,448 | 7.924 | 0.002 | 11.433 | 0.003 | 25.541 | 0.006 | 79.12 | 0.02 | 83.61 | 0.02 | 87.6 | 0.02 | 2,257.7 | 1 | 296 | null | 296 | null | null | null | null | null | Cram et al. (1987) | 3 | P -1 | -P 1 | 2 | 41,42,43,44,45,46,47,48-Octamethoxynonacyclo(35.3.1.1^2,6^.1^7,11^.1^12,16^.1^ 17,21^.1^22,26^.1^27,31^.1^32,36^)octatetraconta-1(41),2,4,6(42),7,9,11(43),12, 14,16(44),17,19,21(45),22,24,26(46),27,29,31(47),32,34,36(48),37,39 -tetracosaene | - C56 H48 O8 - | - C57 H48 O9 - | - C114 H96 O18 - | 2 | 1 | FG1015 | Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I. | Octaanisyl Cavitands and a Related Caviplex | Acta Crystallographica Section C | 1,995 | 51 | 5 | 894 | 904 | 10.1107/S0108270194013594 | 0.71073 | MoKα | 0.191 | 0.112 | null | 0.109 | 0.096 | null | null | null | 1.21 | 1.49 | 1.49 | null | null | null | has coordinates | Trueblood, K. N.; Maverick, E. F.; Knobler, C. B.; Goldberg, I.
Octaanisyl Cavitands and a Related Caviplex
Acta Crystallographica Section C
51(5)
(1995)
894-904 | 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/2/00/34/2003448.cif $
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2,003,449 | 19.942 | 0.003 | 19.942 | 0.003 | 10.294 | 0.002 | 90 | null | 90 | null | 90 | null | 4,093.8 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | I 41/a :2 | -I 4ad | 88 | (1R*, 2R*, 3R*, 4R*, 7R*)-2,4,7-trimethylcyclohept-5-ene-1,3-diol | - C10 H18 O2 - | - C10 H18 O2 - | - C160 H288 O32 - | 16 | 1 | FG1032 | Colucci, J.; Gajda, C.; Lautens, M.; Lough, A. J. | Product of an <i>S</i>~<i>N~</i>2' Ring-Opening Reaction, (1<i>R</i>*,2<i>R</i>*,3<i>R</i>*,4<i>R</i>*,7<i>R</i>*)-2,4,7-Trimethylcyclohept-5-ene-1,3-diol | Acta Crystallographica Section C | 1,995 | 51 | 5 | 912 | 914 | 10.1107/S0108270194011194 | 0.71073 | MoKα | 0.1651 | 0.04 | null | 0.1092 | 0.0785 | null | null | null | 1.012 | 1.158 | 1.158 | null | null | null | has coordinates | Colucci, J.; Gajda, C.; Lautens, M.; Lough, A. J.
Product of an <i>S</i>~<i>N~</i>2' Ring-Opening Reaction, (1<i>R</i>*,2<i>R</i>*,3<i>R</i>*,4<i>R</i>*,7<i>R</i>*)-2,4,7-Trimethylcyclohept-5-ene-1,3-diol
Acta Crystallographica Section C
51(5)
(1995)
912-914 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003449.cif $
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2,003,450 | 11.071 | 0.003 | 18.283 | 0.003 | 6.865 | 0.004 | 90 | null | 90 | null | 90 | null | 1,389.6 | 0.9 | 173 | 1 | 173 | 1 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | α,α-galactotrehalose | α-D-galactopyranosyl α-D-galactopyranoside | - C12 H22 O11 - | - C12 H22 O11 - | - C48 H88 O44 - | 4 | 1 | FG1050 | Linden, A.; Lee, C. K. | α,α-<i>galacto</i>-Trehalose | Acta Crystallographica Section C | 1,995 | 51 | 5 | 1012 | 1016 | 10.1107/S0108270194014204 | 0.71069 | MoKα | 0.0364 | 0.0315 | null | 0.0311 | 0.0306 | null | null | null | null | 1.949 | 1.949 | null | null | null | has coordinates,has Fobs | Linden, A.; Lee, C. K.
α,α-<i>galacto</i>-Trehalose
Acta Crystallographica Section C
51(5)
(1995)
1012-1016 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003450.cif $
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2,003,451 | 8 | 0.004 | 10.162 | 0.004 | 7.198 | 0.002 | 107.69 | 0.03 | 100.23 | 0.03 | 73.48 | 0.03 | 531.8 | 0.4 | 123 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C12 H14 O3 - | - C12 H14 O3 - | - C24 H28 O6 - | 2 | 1 | HA1129 | Yufit, D. S.; Kozhushkov, S. I.; de Mejere, A. | <i>trans</i>-2-[(Dispiro[2.0.2.1]hept-7-yl)carbonyl]-3-methyl-β-propiolactone | Acta Crystallographica Section C | 1,995 | 51 | 5 | 948 | 950 | 10.1107/S0108270194012333 | 0.71073 | MoKα | null | 0.038 | null | null | 0.037 | null | null | null | null | 2.78 | 2.78 | null | null | null | has coordinates | Yufit, D. S.; Kozhushkov, S. I.; de Mejere, A.
<i>trans</i>-2-[(Dispiro[2.0.2.1]hept-7-yl)carbonyl]-3-methyl-β-propiolactone
Acta Crystallographica Section C
51(5)
(1995)
948-950 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003451.cif $
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2,003,452 | 5.035 | 0.001 | 11.684 | 0.001 | 21.792 | 0.003 | 90 | null | 90.54 | 0.02 | 90 | null | 1,281.9 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C11 H16 N2 O4 S - | - C11 H16 N2 O4 S - | - C44 H64 N8 O16 S4 - | 4 | 1 | HA1134 | MacNicol, D. D.; Mallinson, P. R. | <i>N</i>,<i>N</i>-Diethyl-4-(methylsulfonyl)-2-nitroaniline | Acta Crystallographica Section C | 1,995 | 51 | 5 | 926 | 927 | 10.1107/S0108270194012916 | 0.71069 | MoKα | null | 0.044 | null | null | 0.053 | null | null | null | null | 2.3 | 2.3 | null | null | null | has coordinates | MacNicol, D. D.; Mallinson, P. R.
<i>N</i>,<i>N</i>-Diethyl-4-(methylsulfonyl)-2-nitroaniline
Acta Crystallographica Section C
51(5)
(1995)
926-927 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003452.cif $
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2,003,453 | 6.742 | 0.001 | 9.005 | 0.005 | 15.932 | 0.002 | 92.96 | 0.02 | 95.78 | 0.01 | 94.45 | 0.02 | 957.7 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | Dr K. Horspool, Aston Univ. | 5 | P -1 | -P 1 | 2 | 3-(2-chlorethyl)-3,3,4-dihydro-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8- carboxylic acid | - C7 H6 Cl N5 O3 - | - C7 H6 Cl N5 O3 - | - C28 H24 Cl4 N20 O12 - | 4 | 2 | HA1135 | Lowe, P. R.; Schwalbe, C. H. | 8-Acid Derivative of the Antitumour Agent Mitozolomide | Acta Crystallographica Section C | 1,995 | 51 | 5 | 937 | 939 | 10.1107/S0108270194012321 | 0.71069 | MoKα | 0.0596 | 0.0423 | null | 0.1282 | 0.1238 | null | null | null | 1.116 | 1.237 | 1.237 | null | null | null | has coordinates | Lowe, P. R.; Schwalbe, C. H.
8-Acid Derivative of the Antitumour Agent Mitozolomide
Acta Crystallographica Section C
51(5)
(1995)
937-939 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003453.cif $
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2,003,454 | 13.467 | 0.001 | 9.304 | 0.001 | 15.752 | 0.002 | 90 | null | 109.11 | 0.01 | 90 | null | 1,864.9 | 0.4 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C16 H22 N4 Ni O7 - | - C16 H22 N4 Ni O7 - | - C64 H88 N16 Ni4 O28 - | 4 | 1 | HR1020 | Skoulika, S.; Michaelides, A.; Aubry, A. | Two Ternary Ni^II^ Complexes: Bisglycinato(1,10-phenanthroline)nickel(II) Trihydrate and Bisglycinato(2,2'-bipyridine)nickel(II) Trihydrate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 843 | 846 | 10.1107/S0108270194012709 | 1.5418 | CuKα | null | 0.058 | null | null | 0.071 | null | null | null | null | 1.216 | 1.216 | null | null | null | has coordinates | Skoulika, S.; Michaelides, A.; Aubry, A.
Two Ternary Ni^II^ Complexes: Bisglycinato(1,10-phenanthroline)nickel(II) Trihydrate and Bisglycinato(2,2'-bipyridine)nickel(II) Trihydrate
Acta Crystallographica Section C
51(5)
(1995)
843-846 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003454.cif $
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4,322,385 | 11.7885 | 0.0002 | 15.9465 | 0.0003 | 23.7428 | 0.0005 | 87.962 | 0.001 | 76.601 | 0.001 | 79.402 | 0.001 | 4,267.63 | 0.14 | 213 | 2 | 213 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C82 H99 N5 O S10 W2 - | - C82 H99 N5 O S10 W2 - | - C164 H198 N10 O2 S20 W4 - | 2 | 1 | Christine A. Goddard; R. H. Holm | Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se) | Inorganic Chemistry | 1,999 | 38 | 5389 | 5398 | 10.1021/ic9903329 | 0.71073 | MoKα | 0.083 | 0.0428 | null | 0.1028 | 0.0936 | null | null | null | 1.052 | 1.318 | 1.318 | null | null | null | has coordinates,has disorder | Christine A. Goddard; R. H. Holm
Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se)
Inorganic Chemistry
38
(1999)
5389-5398 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179326 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322385.cif $
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2,003,455 | 12.827 | 0.001 | 9.416 | 0.001 | 15.716 | 0.001 | 90 | null | 109.33 | 0.01 | 90 | null | 1,791.2 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H22 N4 Ni O7 - | - C14 H22 N4 Ni O7 - | - C56 H88 N16 Ni4 O28 - | 4 | 1 | HR1020 | Skoulika, S.; Michaelides, A.; Aubry, A. | Two Ternary Ni^II^ Complexes: Bisglycinato(1,10-phenanthroline)nickel(II) Trihydrate and Bisglycinato(2,2'-bipyridine)nickel(II) Trihydrate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 843 | 846 | 10.1107/S0108270194012709 | 1.5418 | CuKα | null | 0.056 | null | null | 0.068 | null | null | null | null | 1.886 | 1.886 | null | null | null | has coordinates | Skoulika, S.; Michaelides, A.; Aubry, A.
Two Ternary Ni^II^ Complexes: Bisglycinato(1,10-phenanthroline)nickel(II) Trihydrate and Bisglycinato(2,2'-bipyridine)nickel(II) Trihydrate
Acta Crystallographica Section C
51(5)
(1995)
843-846 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003455.cif $
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2,003,456 | 8.6449 | 0.001 | 9.9416 | 0.001 | 12.892 | 0.002 | 90 | null | 94.96 | 0.09 | 90 | null | 1,103.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | Potassium 4-Sulfonatobenzoic acid dihydrate | - C7 H9 K O7 S - | - C7 H9 K O7 S - | - C28 H36 K4 O28 S4 - | 4 | 1 | HU1119 | Kariuki, B. M.; Jones, W. | Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid | Acta Crystallographica Section C | 1,995 | 51 | 5 | 867 | 871 | 10.1107/S0108270194012485 | 0.71069 | MoKα | 0.0583 | 0.0335 | null | 0.0859 | 0.0812 | null | null | null | 1.063 | 1.221 | 1.221 | null | null | null | has coordinates | Kariuki, B. M.; Jones, W.
Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid
Acta Crystallographica Section C
51(5)
(1995)
867-871 | 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/2/00/34/2003456.cif $
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2,003,457 | 6.0576 | 0.001 | 6.7412 | 0.001 | 12.479 | 0.002 | 90.278 | 0.01 | 95.841 | 0.01 | 106.379 | 0.01 | 486.07 | 0.14 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Potassium 4-sulfonatobenzoic acid monohydrate | - C7 H7 K O6 S - | - C7 H7 K O6 S - | - C14 H14 K2 O12 S2 - | 2 | 1 | HU1119 | Kariuki, B. M.; Jones, W. | Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid | Acta Crystallographica Section C | 1,995 | 51 | 5 | 867 | 871 | 10.1107/S0108270194012485 | 0.71069 | MoKα | 0.0343 | 0.0304 | null | 0.087 | 0.085 | null | null | null | 1.095 | 1.14 | 1.14 | null | null | null | has coordinates | Kariuki, B. M.; Jones, W.
Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid
Acta Crystallographica Section C
51(5)
(1995)
867-871 | 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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2,003,458 | 6.3113 | 0.001 | 7.5404 | 0.001 | 9.8868 | 0.001 | 103.832 | 0.01 | 99.202 | 0.01 | 100.707 | 0.01 | 438.5 | 0.11 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Potassium 4-sulfonatobenzoic acid | - C7 H5 K O5 S - | - C7 H5 K O5 S - | - C14 H10 K2 O10 S2 - | 2 | 1 | HU1119 | Kariuki, B. M.; Jones, W. | Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid | Acta Crystallographica Section C | 1,995 | 51 | 5 | 867 | 871 | 10.1107/S0108270194012485 | 0.71069 | MoKα | 0.0438 | 0.0299 | null | 0.0849 | 0.0821 | null | null | null | 1.07 | 1.165 | 1.165 | null | null | null | has coordinates | Kariuki, B. M.; Jones, W.
Three Polymorphs of Potassium 4-Sulfonatobenzoic Acid
Acta Crystallographica Section C
51(5)
(1995)
867-871 | 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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2,003,459 | 6.646 | 0.003 | 20.599 | 0.006 | 13.458 | 0.005 | 90 | null | 90.61 | 0.05 | 90 | null | 1,842.3 | 1.2 | 213 | 2 | 213 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Sodium 6-Amino-5-(2-carboxyphenyl)azouracil Heptahydrate | - C11 H22 N5 Na O11 - | - C11 H22 N5 Na O11 - | - C44 H88 N20 Na4 O44 - | 4 | 1 | HU1133 | Kivekäs, R.; Pajunen, A.; Colacio, E.; Dominquez-Vera, J. M.; Romerosa, A. | Heptahydrated Monosodium Salt of 6-Amino-5-(2-carboxyphenyl)azouracil | Acta Crystallographica Section C | 1,995 | 51 | 5 | 939 | 942 | 10.1107/S0108270194012539 | 0.71073 | MoKα | 0.081 | 0.081 | null | 0.061 | 0.061 | null | null | null | 1.421 | 1.421 | 1.421 | null | null | null | has coordinates | Kivekäs, R.; Pajunen, A.; Colacio, E.; Dominquez-Vera, J. M.; Romerosa, A.
Heptahydrated Monosodium Salt of 6-Amino-5-(2-carboxyphenyl)azouracil
Acta Crystallographica Section C
51(5)
(1995)
939-942 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,003,460 | 9.569 | 0.0001 | 17.651 | 0.002 | 13.485 | 0.002 | 90 | null | 94.26 | 0.02 | 90 | null | 2,271.4 | 0.4 | 293 | 1 | 293 | 1 | null | null | null | null | see text | 5 | P 1 21/n 1 | -P 2yn | 14 | cis,trans-dibromobis(4-methylpyridine) 2,2^'^-bipyridine tungsten(II) | - C22 H22 Br2 N4 W - | - C22 H22 Br2 N4 W - | - C88 H88 Br8 N16 W4 - | 4 | 1 | HU1136 | Leban, I.; Brenčič, J. V.; Čeh, B. | <i>cis</i>,<i>trans</i>-(2,2'-Bipyridine-<i>N</i>,<i>N</i>')dibromobis(4-methylpyridine-<i>N</i>)tungsten(II) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 817 | 820 | 10.1107/S0108270194012540 | 0.7093 | MoKα | 0.0993 | 0.0447 | null | 0.1065 | 0.0893 | null | null | null | 0.988 | 1.07 | 1.07 | null | null | null | has coordinates,has Fobs | Leban, I.; Brenčič, J. V.; Čeh, B.
<i>cis</i>,<i>trans</i>-(2,2'-Bipyridine-<i>N</i>,<i>N</i>')dibromobis(4-methylpyridine-<i>N</i>)tungsten(II)
Acta Crystallographica Section C
51(5)
(1995)
817-820 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,461 | 10.568 | 0.004 | 10.622 | 0.006 | 8.545 | 0.004 | 106.39 | 0.04 | 107.5 | 0.03 | 83.38 | 0.04 | 877.1 | 0.8 | 24 | null | 297 | null | null | null | null | null | 3 | P 1 | P 1 | 1 | - C20 H26 O2 - | - C20 H26 O2 - | - C40 H52 O4 - | 2 | 2 | HU1137 | Fortes, A. G.; Johnstone, R. A. W.; Whittaker, D.; Lewis, N. J. | Fortesyl 2-Phenylpropionate. An Example of a Novel Hydrocarbon Skeleton Containing Three Fused Five-Membered Rings | Acta Crystallographica Section C | 1,995 | 51 | 5 | 914 | 916 | 10.1107/S0108270194012552 | 0.71069 | MoKα | null | 0.0712 | null | null | 0.068 | null | null | null | null | 2.245 | 2.245 | null | null | null | has coordinates | Fortes, A. G.; Johnstone, R. A. W.; Whittaker, D.; Lewis, N. J.
Fortesyl 2-Phenylpropionate. An Example of a Novel Hydrocarbon Skeleton Containing Three Fused Five-Membered Rings
Acta Crystallographica Section C
51(5)
(1995)
914-916 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,462 | 11.095 | 0.007 | 15.692 | 0.008 | 15.173 | 0.007 | 90 | null | 109.83 | 0.04 | 90 | null | 2,485 | 2 | 295 | null | null | null | null | null | null | null | synthesis | 6 | P 1 21/n 1 | -P 2yn | 14 | - C10 H30 Cl4 O5 Ru2 S5 - | - C10 H30 Cl4 O5 Ru2 S5 - | - C40 H120 Cl16 O20 Ru8 S20 - | 4 | 1 | JZ1006 | Ghosh, P.; Pramanik, A. | Tetrachloropentakis(dimethyl sulfoxide)diruthenium(II) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 824 | 825 | 10.1107/S0108270194012448 | 0.71073 | MoKα | null | 0.0548 | null | null | 0.0631 | null | null | null | null | 2.08 | 2.08 | null | null | null | has coordinates | Ghosh, P.; Pramanik, A.
Tetrachloropentakis(dimethyl sulfoxide)diruthenium(II)
Acta Crystallographica Section C
51(5)
(1995)
824-825 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,463 | 8.133 | 0.002 | 11.056 | 0.002 | 18.658 | 0.005 | 102.27 | 0.02 | 91.02 | 0.02 | 99.77 | 0.02 | 1,613.1 | 0.7 | 295 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C30 H24 Cl2 Mn N6 O8.5 - | - C30 H24 Cl2 Mn N6 O13 - | - C60 H48 Cl4 Mn2 N12 O26 - | 2 | 1 | JZ1009 | Chen, X.-M.; Wang, R.-Q.; Xu, Z.-T. | Tris(2,2'-bipyridine)manganese(II) Perchlorate Hemihydrate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 820 | 822 | 10.1107/S0108270194012242 | 0.71073 | MoKα | null | 0.0583 | null | null | 0.0736 | null | null | null | null | 3.02 | 3.02 | null | null | null | has coordinates | Chen, X.-M.; Wang, R.-Q.; Xu, Z.-T.
Tris(2,2'-bipyridine)manganese(II) Perchlorate Hemihydrate
Acta Crystallographica Section C
51(5)
(1995)
820-822 | 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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4,322,384 | 10.7384 | 0.0004 | 19.0581 | 0.0007 | 23.7849 | 0.0008 | 90 | null | 98.926 | 0.001 | 90 | null | 4,808.7 | 0.3 | 213 | 2 | 213 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C48 H68 N2 O S5 W - | - C48 H68 N2 O S5 W - | - C192 H272 N8 O4 S20 W4 - | 4 | 1 | Christine A. Goddard; R. H. Holm | Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se) | Inorganic Chemistry | 1,999 | 38 | 5389 | 5398 | 10.1021/ic9903329 | 0.71073 | MoKα | 0.0845 | 0.0423 | null | 0.1085 | 0.0938 | null | null | null | 1.11 | 1.244 | 1.244 | null | null | null | has coordinates,has disorder | Christine A. Goddard; R. H. Holm
Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se)
Inorganic Chemistry
38
(1999)
5389-5398 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,464 | 13.457 | 0.001 | 14.082 | 0.002 | 18.845 | 0.001 | 90 | null | 105.86 | 0.01 | 90 | null | 3,435.2 | 0.6 | 127 | 2 | 127 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | (2,3,7,8,12,13,17,18-Octaethylporphinato)perchloratoanganese(III) | - C36 H44 Cl Mn N4 O4 - | - C36 H44 Cl Mn N4 O4 - | - C144 H176 Cl4 Mn4 N16 O16 - | 4 | 1 | JZ1011 | Cheng, B.; Scheidt, W. R. | (2,3,7,8,12,13,17,18-Octaethylporphinato)perchloratomanganese(III) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 825 | 828 | 10.1107/S0108270194013181 | 0.71073 | MoKα | 0.0612 | 0.0463 | null | 0.117 | 0.109 | null | null | null | 1.067 | 1.101 | 1.101 | null | null | null | has coordinates | Cheng, B.; Scheidt, W. R.
(2,3,7,8,12,13,17,18-Octaethylporphinato)perchloratomanganese(III)
Acta Crystallographica Section C
51(5)
(1995)
825-828 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,465 | 7.834 | 0.002 | 10.052 | 0.001 | 10.467 | 0.001 | 82.818 | 0.008 | 68.423 | 0.008 | 75.53 | 0.02 | 741.7 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | trans-Dipyridiniomethane-Tetrafluorodichloroosmate(IV) Hydrate | trans-Dipyridiniomethane-Tetrafluorodichloroosmate(IV) Hydrate | - C11 H14 Cl2 F4 N2 O Os - | - C11 H14 Cl2 F4 N2 O Os - | - C22 H28 Cl4 F8 N4 O2 Os2 - | 2 | 1 | JZ1020 | Bruhn, C.; Preetz, W. | Dipyridiniomethane <i>trans</i>-Dichlorotetrafluoroosmate(IV) Hydrate, <i>trans</i>-[(C~5~H~5~N)~2~CH~2~][OsF~4~Cl~2~].H~2~O | Acta Crystallographica Section C | 1,995 | 51 | 5 | 865 | 867 | 10.1107/S0108270194011960 | 0.71069 | MoKα | 0.0366 | 0.0202 | null | 0.0611 | 0.0484 | null | null | null | 1.143 | 1.055 | 1.055 | null | null | null | has coordinates | Bruhn, C.; Preetz, W.
Dipyridiniomethane <i>trans</i>-Dichlorotetrafluoroosmate(IV) Hydrate, <i>trans</i>-[(C~5~H~5~N)~2~CH~2~][OsF~4~Cl~2~].H~2~O
Acta Crystallographica Section C
51(5)
(1995)
865-867 | 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/2/00/34/2003465.cif $
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2,003,466 | 24.166 | 0.003 | 8.903 | 0.003 | 11.84 | 0.003 | 90 | null | 95.074 | 0.003 | 90 | null | 2,537.4 | 1.1 | 293 | 2 | 293 | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | N-N'-[1,1'-ditiobis(phenylene)]bis(5'-metoxy-salicylideneimine) | - C28 H24 N2 O4 S2 - | - C28 H24 N2 O4 S2 - | - C112 H96 N8 O16 S8 - | 4 | 0.5 | KA1077 | Ruiz-Pérez, C.; González-Platas, J.; Rodríguez-Romero, F. V.; Gili, P.; Martín-Zarza, P.; Martín-Reyes, G.; Solans, X. | 4,4'-Dimethoxy-2,2'-[dithiobis(<i>o</i>-phenylenenitrilomethylidyne)]diphenol | Acta Crystallographica Section C | 1,995 | 51 | 5 | 1016 | 1018 | 10.1107/S0108270194008760 | 0.71073 | MoKα | null | 0.039 | null | null | 0.065 | null | null | null | null | 0.879 | 0.879 | null | null | null | has coordinates | Ruiz-Pérez, C.; González-Platas, J.; Rodríguez-Romero, F. V.; Gili, P.; Martín-Zarza, P.; Martín-Reyes, G.; Solans, X.
4,4'-Dimethoxy-2,2'-[dithiobis(<i>o</i>-phenylenenitrilomethylidyne)]diphenol
Acta Crystallographica Section C
51(5)
(1995)
1016-1018 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$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/2/00/34/2003466.cif $
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2,003,467 | 9.976 | 0.004 | 29.601 | 0.006 | 14.189 | 0.005 | 90 | null | 107.74 | 0.02 | 90 | null | 3,991 | 2 | 223 | null | null | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C40 H35 N3 O2 P2 Re S3 - | - C40 H35 N3 O2 P2 Re S3 - | - C160 H140 N12 O8 P8 Re4 S12 - | 4 | 1 | KA1086 | Hübener, R.; Abram, U.; Strähle, J. | <i>trans</i>-Hydroxotris(isothiocyanato)bis(triphenylphosphine)rhenium(IV) Methanol Solvate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 876 | 878 | 10.1107/S0108270194008498 | 0.71073 | MoKα | null | 0.032 | null | null | 0.036 | null | null | null | null | 1.286 | 1.286 | null | null | null | has coordinates | Hübener, R.; Abram, U.; Strähle, J.
<i>trans</i>-Hydroxotris(isothiocyanato)bis(triphenylphosphine)rhenium(IV) Methanol Solvate
Acta Crystallographica Section C
51(5)
(1995)
876-878 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,468 | 8.478 | 0.003 | 8.386 | 0.003 | 16.719 | 0.007 | 90 | null | 92.73 | 0.03 | 90 | null | 1,187.3 | 0.8 | 294 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C13 H16 N2 O - | - C13 H16 N2 O - | - C52 H64 N8 O4 - | 4 | 1 | KA1096 | Sudha, L.; Subramanian, K.; Sivaraman, J.; Ramakrishnan, V. T.; Steiner, Th.; Koellner, G. | 5-(Isopropylamino)-8-methyl-2-quinolone | Acta Crystallographica Section C | 1,995 | 51 | 5 | 1026 | 1028 | 10.1107/S0108270194012813 | 1.54184 | CuKα | null | 0.0747 | null | null | 0.089 | null | null | null | null | null | null | null | null | null | has coordinates | Sudha, L.; Subramanian, K.; Sivaraman, J.; Ramakrishnan, V. T.; Steiner, Th.; Koellner, G.
5-(Isopropylamino)-8-methyl-2-quinolone
Acta Crystallographica Section C
51(5)
(1995)
1026-1028 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,469 | 17.721 | 0.002 | 19.714 | 0.002 | 10.49 | 0.001 | 90 | null | 90 | null | 90 | null | 3,664.7 | 0.7 | 293 | 2 | 153 | 2 | null | null | null | null | 4 | P c c n | -P 2ab 2ac | 56 | 1,1-Dimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro1-silanaphtho- [1,2 c] furan | - C17 H30 O Si2 - | - C17 H30 O Si2 - | - C136 H240 O8 Si16 - | 8 | 1 | KA1100 | Pohl, E.; Herbst-Irmer, R.; Groth, U.; Eckenberg, P. | <i>rac</i>-1,1,4-Trimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro-1-silanaphtho[1,2-<i>c</i>]furan at 153 K | Acta Crystallographica Section C | 1,995 | 51 | 5 | 891 | 892 | 10.1107/S0108270194012576 | 0.71073 | MoKα | 0.0464 | 0.0361 | null | 0.0927 | 0.0842 | null | null | null | 1.068 | 1.063 | 1.063 | null | null | null | has coordinates | Pohl, E.; Herbst-Irmer, R.; Groth, U.; Eckenberg, P.
<i>rac</i>-1,1,4-Trimethyl-5-trimethylsilyl-1,3,3a,4,6,7,8,9-octahydro-1-silanaphtho[1,2-<i>c</i>]furan at 153 K
Acta Crystallographica Section C
51(5)
(1995)
891-892 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,470 | 7.275 | 0.003 | 7.711 | 0.0007 | 14.293 | 0.001 | 90.152 | 0.007 | 98.77 | 0.01 | 100.49 | 0.02 | 778.8 | 0.3 | 298 | 3 | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C12 H19 Cu N5 O2 S - | - C12 H19 Cu N5 O2 S - | - C24 H38 Cu2 N10 O4 S2 - | 2 | 1 | KH1000 | Tahirov, T. H.; Lu, T.-H.; Luh, H.; Lai, C.-Y.; Chung, C.-S. | [3,9-Dimethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](thiocyanato)copper(II) and [3,6,6,9-Tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](isothiocyanato)copper(II) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 846 | 849 | 10.1107/S0108270194012898 | 0.71073 | MoKα | null | 0.064 | null | null | 0.099 | null | null | null | null | 2.37 | 2.37 | null | null | null | has coordinates | Tahirov, T. H.; Lu, T.-H.; Luh, H.; Lai, C.-Y.; Chung, C.-S.
[3,9-Dimethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](thiocyanato)copper(II) and [3,6,6,9-Tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](isothiocyanato)copper(II)
Acta Crystallographica Section C
51(5)
(1995)
846-849 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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4,322,383 | 20.591 | 0.004 | 22.396 | 0.005 | 10.5719 | 0.0015 | 90 | null | 102.155 | 0.015 | 90 | null | 4,766 | 1.6 | 213 | 2 | 213 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C47 H67 N O3 S4 W - | - C47 H67 N O3 S4 W - | - C188 H268 N4 O12 S16 W4 - | 4 | 1 | Christine A. Goddard; R. H. Holm | Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se) | Inorganic Chemistry | 1,999 | 38 | 5389 | 5398 | 10.1021/ic9903329 | 0.71073 | MoKα | 0.0742 | 0.0446 | null | 0.1059 | 0.0979 | null | null | null | 1.042 | 1.166 | 1.166 | null | null | null | has coordinates | Christine A. Goddard; R. H. Holm
Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se)
Inorganic Chemistry
38
(1999)
5389-5398 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,471 | 8.099 | 0.002 | 10.638 | 0.002 | 19.87 | 0.002 | 90 | null | 92.7 | 0.02 | 90 | null | 1,710 | 0.6 | 298 | 3 | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C14 H23 Cu N5 O2 S - | - C14 H23 Cu N5 O2 S - | - C56 H92 Cu4 N20 O8 S4 - | 4 | 1 | KH1000 | Tahirov, T. H.; Lu, T.-H.; Luh, H.; Lai, C.-Y.; Chung, C.-S. | [3,9-Dimethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](thiocyanato)copper(II) and [3,6,6,9-Tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](isothiocyanato)copper(II) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 846 | 849 | 10.1107/S0108270194012898 | 0.71073 | MoKα | null | 0.031 | null | null | 0.05 | null | null | null | null | 1.3 | 1.3 | null | null | null | has coordinates | Tahirov, T. H.; Lu, T.-H.; Luh, H.; Lai, C.-Y.; Chung, C.-S.
[3,9-Dimethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](thiocyanato)copper(II) and [3,6,6,9-Tetramethyl-4,8-diaza-3,8-undecadiene-2,10-dione dioximato(1‒)](isothiocyanato)copper(II)
Acta Crystallographica Section C
51(5)
(1995)
846-849 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,472 | 8.106 | 0.002 | 20.135 | 0.004 | 10.399 | 0.002 | 90 | null | 102.77 | 0.03 | 90 | null | 1,655.3 | 0.6 | 293 | null | null | null | null | null | null | null | see text | 6 | P 1 21/n 1 | -P 2yn | 14 | - C16 H36 Cl8 Hg4 N4 O4 - | - C16 H36 Cl8 Hg4 N4 O4 - | - C32 H72 Cl16 Hg8 N8 O8 - | 2 | 0.5 | KH1002 | Wu, D.-D.; Mak, T. C. W. | Mercury(II) Chloride Adduct of a Betaine Derivative: Bis[(dimethyl)(2-dimethylaminoethyl)ammonioacetato]tetrakis[dichloromercury(II)] | Acta Crystallographica Section C | 1,995 | 51 | 5 | 857 | 859 | 10.1107/S0108270194012345 | 0.71073 | MoKα | null | 0.063 | null | null | 0.074 | null | null | null | null | 1.25 | 1.25 | null | null | null | has coordinates | Wu, D.-D.; Mak, T. C. W.
Mercury(II) Chloride Adduct of a Betaine Derivative: Bis[(dimethyl)(2-dimethylaminoethyl)ammonioacetato]tetrakis[dichloromercury(II)]
Acta Crystallographica Section C
51(5)
(1995)
857-859 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,473 | 8.532 | 0.001 | 14.946 | 0.001 | 12.022 | 0.001 | 90 | null | 95.24 | 0.01 | 90 | null | 1,526.6 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | ethyl 1,2,4,5-tetrahydro-3H,6H,10H-1-benzopyrano[9,9a,1-gh]quinolizin- 10-one-9-oate | - C18 H19 N O4 - | - C18 H19 N O4 - | - C72 H76 N4 O16 - | 4 | 1 | KH1015 | Yip, B.-C.; Fun, H.-K.; Sivakumar, K.; Zhou, Z.-Y.; Shawkataly, O. B.; Teoh, S.-G. | Coumarin 314 | Acta Crystallographica Section C | 1,995 | 51 | 5 | 956 | 958 | 10.1107/S010827019401317X | 0.71073 | MoKα | 0.072 | 0.0432 | null | 0.1322 | 0.1228 | null | null | null | 0.98 | 1.198 | 1.198 | null | null | null | has coordinates | Yip, B.-C.; Fun, H.-K.; Sivakumar, K.; Zhou, Z.-Y.; Shawkataly, O. B.; Teoh, S.-G.
Coumarin 314
Acta Crystallographica Section C
51(5)
(1995)
956-958 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,474 | 15.273 | 0.001 | 15.273 | 0.001 | 27.399 | 0.003 | 90 | null | 90 | null | 120 | null | 5,535 | 0.8 | 293 | 2 | 150 | 1 | null | null | null | null | Crystals were grown from ethyl acetate | 5 | P 65 | P 65 | 170 | Benzyl 2-acetimido-4-azido-3-O-benzyl-6-O-(tert-butyldiphenylsilyl)- 2,4-dideoxy-β-D-glucopyranoside | - C38 H42 N4 O6 Si - | - C38 H42 N4 O6 Si - | - C228 H252 N24 O36 Si6 - | 6 | 1 | LI1129 | Barnes, J. C.; Field, R. A. | Benzyl 2-Acetamido-4-azido-3-<i>O</i>-benzoyl-6-<i>O</i>-(<i>tert</i>-butyldiphenylsilyl)-2,4-dideoxy-β-<small>D</small>-glucopyranoside | Acta Crystallographica Section C | 1,995 | 51 | 5 | 1018 | 1020 | 10.1107/S0108270194012138 | 0.71069 | MoKα | 0.0701 | 0.04 | null | 0.1141 | 0.0919 | null | null | null | 0.562 | 0.635 | 0.635 | null | null | null | has coordinates | Barnes, J. C.; Field, R. A.
Benzyl 2-Acetamido-4-azido-3-<i>O</i>-benzoyl-6-<i>O</i>-(<i>tert</i>-butyldiphenylsilyl)-2,4-dideoxy-β-<small>D</small>-glucopyranoside
Acta Crystallographica Section C
51(5)
(1995)
1018-1020 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,382 | 17.6352 | 0.0004 | 10.9691 | 0.0002 | 20.2778 | 0.0005 | 90 | null | 90 | null | 90 | null | 3,922.58 | 0.15 | 213 | 2 | 213 | 2 | null | null | null | null | 6 | P n m a | -P 2ac 2n | 62 | - C27 H59 N3 O2 S4 W - | - C27 H59 N3 O2 S4 W - | - C108 H236 N12 O8 S16 W4 - | 4 | 0.5 | Christine A. Goddard; R. H. Holm | Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se) | Inorganic Chemistry | 1,999 | 38 | 5389 | 5398 | 10.1021/ic9903329 | 0.71073 | MoKα | 0.0416 | 0.0341 | null | null | 0.0855 | 0.09 | null | null | null | null | null | 1.044 | null | null | has coordinates,has disorder | Christine A. Goddard; R. H. Holm
Synthesis and Reactivity Aspects of the Bis(dithiolene) Chalcogenide Series [WIVQ(S2C2R2)2]2- (Q = O, S, Se)
Inorganic Chemistry
38
(1999)
5389-5398 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,475 | 14.904 | 0.004 | 12.434 | 0.002 | 8.645 | 0.003 | 90 | null | 93.12 | 0.02 | 90 | null | 1,599.7 | 0.7 | 293 | null | null | null | null | null | null | null | 6 | C 1 c 1 | C -2yc | 9 | - C14 H10 Fe N2 Na O10 - | - C14 H10 Fe N2 Na O10 - | - C56 H40 Fe4 N8 Na4 O40 - | 4 | 1 | MU1094 | Cousson, A.; Nectoux, F.; Robert, F.; Rizkalla, E. N. | Sodium Bis(dipicolinato)ferrate(III) Dihydrate | Acta Crystallographica Section C | 1,995 | 51 | 5 | 838 | 840 | 10.1107/S0108270194005561 | 0.71073 | MoKα | null | 0.0306 | null | null | 0.0343 | null | null | null | null | 1.08 | 1.08 | null | null | null | has coordinates | Cousson, A.; Nectoux, F.; Robert, F.; Rizkalla, E. N.
Sodium Bis(dipicolinato)ferrate(III) Dihydrate
Acta Crystallographica Section C
51(5)
(1995)
838-840 | 190,396 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-11 14:50:15 +0200 (Wed, 11 Jan 2017) $
#$Revision: 190396 $
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2,003,476 | 10.32 | 0.008 | 16.094 | 0.007 | 9.546 | 0.004 | 105.3 | 0.04 | 91.66 | 0.05 | 83.68 | 0.05 | 1,520 | 1.5 | 296 | null | null | null | null | null | null | null | recrystallized from ethanol | 7 | P -1 | -P 1 | 2 | - C28 H22 F6 N2 Ni O4 S2 - | - C27 H21 F6 N2 Ni O4 S3 - | - C54 H42 F12 N4 Ni2 O8 S6 - | 2 | 1 | MU1115 | Xiong, R.-G.; You, X.-Z.; Dong, J.-X.; Huang, X.-Y. | Bis(3-methylpyridine)bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]nickel(II) | Acta Crystallographica Section C | 1,995 | 51 | 5 | 835 | 837 | 10.1107/S0108270194011935 | 0.71069 | MoKα | null | 0.058 | null | null | 0.068 | null | null | null | null | 1.53 | 1.53 | null | null | null | has coordinates | Xiong, R.-G.; You, X.-Z.; Dong, J.-X.; Huang, X.-Y.
Bis(3-methylpyridine)bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]nickel(II)
Acta Crystallographica Section C
51(5)
(1995)
835-837 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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