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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,001,157 | 8.737 | 0.003 | 10.096 | 0.004 | 14.093 | 0.006 | 90 | null | 96.05 | 0.03 | 90 | null | 1,236.2 | 0.8 | 240 | 2 | 240 | 0.5 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | trans-tetrachlorobis(hexamethylphosphoric triamide)titanium | - C12 H36 Cl4 N6 O2 P2 Ti - | - C12 H36 Cl4 N6 O2 P2 Ti - | - C24 H72 Cl8 N12 O4 P4 Ti2 - | 2 | 0.5 | MU1061 | Clegg, W.; O'Neil, P. A.; Henderson, K. W.; Mulvey, R. E. | Structure of monomeric [TiCl~4~(hexamethylphosphoric triamide)~2~] | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2108 | 2109 | 10.1107/S0108270193006973 | 1.54184 | CuKα | 0.0852 | 0.08 | null | 0.226 | null | null | null | null | 1.12 | null | null | null | null | null | has coordinates | Clegg, W.; O'Neil, P. A.; Henderson, K. W.; Mulvey, R. E.
Structure of monomeric [TiCl~4~(hexamethylphosphoric triamide)~2~]
Acta Crystallographica Section C
49(12)
(1993)
2108-2109 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,001,158 | 10.73 | 0.002 | 21.081 | 0.004 | 9.868 | 0.002 | 90 | null | 111.62 | 0.02 | 90 | null | 2,075.1 | 0.8 | 295 | 1 | 295 | 1 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C16 H20 Li2 O8 Zn - | - C16 H20 Li2 O8 Zn - | - C64 H80 Li8 O32 Zn4 - | 4 | 1 | MU1063 | Clegg, W.; Hunt, P. A.; Straughan, B. P. | Dilithium zinc crotonate, a mixed-metal sheet polymeric structure | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2109 | 2112 | 10.1107/S0108270193006985 | 1.54184 | CuKα | 0.0413 | 0.0378 | null | 0.1064 | 0.1064 | null | null | null | 1.046 | 1.046 | 1.046 | null | null | null | has coordinates | Clegg, W.; Hunt, P. A.; Straughan, B. P.
Dilithium zinc crotonate, a mixed-metal sheet polymeric structure
Acta Crystallographica Section C
49(12)
(1993)
2109-2112 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,159 | 8.4229 | 0.0005 | 12.85 | 0.003 | 16.4655 | 0.0008 | 90 | null | 94.959 | 0.005 | 90 | null | 1,775.5 | 0.4 | 298 | 3 | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C9 H24 Cl2 Cu N4 O8 - | - C9 H24 Cl2 Cu N4 O12 - | - C36 H96 Cl8 Cu4 N16 O48 - | 4 | 1 | AS1041 | Lu, T.-H.; Lin, J.-L.; Shu, K.; Yuan, Y.-Z.; Chung, C.-S. | Structure of [(3<i>RS</i>,7<i>SR</i>)-3,7-dimethyl-3,7-diazanonane-1,9-diamine]perchloratocopper(II) perchlorate, [Cu(ClO~4~)(C~9~H~24~N~4~)](ClO~4~) | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2112 | 2113 | 10.1107/S0108270193005736 | 0.7093 | MoKα | null | 0.032 | null | null | 0.032 | null | null | null | null | 0.97 | 0.97 | null | null | null | has coordinates | Lu, T.-H.; Lin, J.-L.; Shu, K.; Yuan, Y.-Z.; Chung, C.-S.
Structure of [(3<i>RS</i>,7<i>SR</i>)-3,7-dimethyl-3,7-diazanonane-1,9-diamine]perchloratocopper(II) perchlorate, [Cu(ClO~4~)(C~9~H~24~N~4~)](ClO~4~)
Acta Crystallographica Section C
49(12)
(1993)
2112-2113 | 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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7,205,695 | 9.4599 | 0.0006 | 9.5946 | 0.0006 | 11.0971 | 0.0007 | 78.984 | 0.001 | 66.485 | 0.001 | 65.045 | 0.001 | 837.03 | 0.09 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C14 H22 N4 S2 - | - C14 H22 N4 S2 - | - C28 H44 N8 S4 - | 2 | 1 | Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W. | Hydrogen bonding interactions with the thiocarbonyl π-system | CrystEngComm | 2,011 | 13 | 9 | 3202 | 10.1039/c0ce00680g | 0.71073 | MoKα | 0.0531 | 0.0392 | null | null | 0.0918 | 0.0986 | null | null | null | null | null | 1.018 | null | null | has coordinates | Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.
Hydrogen bonding interactions with the thiocarbonyl π-system
CrystEngComm
13(9)
(2011)
3202 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,001,160 | 9.889 | 0.003 | 25.239 | 0.004 | 8.402 | 0.002 | 90 | null | 92.85 | 0.02 | 90 | null | 2,094.4 | 0.9 | 298 | 3 | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C12 H31 Cl2 N5 Ni O8 - | - C12 H31 Cl2 N5 Ni O8 - | - C48 H124 Cl8 N20 Ni4 O32 - | 4 | 1 | AS1043 | Tahirov, T. H.; Lu, T.-H.; Liu, Y.-L.; Huang, C.-C.; Yuan, Y.-Z.; Chung, C.-S. | Structure of (2,5,9,13,16-pentaazaheptadecane)perchloratonickel(II) perchlorate, [Ni(ClO~4~)(C~12~H~31~N~5~)](ClO~4~) | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2114 | 2115 | 10.1107/S0108270193005748 | 1.54178 | CuKα | null | 0.069 | null | null | 0.08 | null | null | null | null | 24.27 | 24.27 | null | null | null | has coordinates | Tahirov, T. H.; Lu, T.-H.; Liu, Y.-L.; Huang, C.-C.; Yuan, Y.-Z.; Chung, C.-S.
Structure of (2,5,9,13,16-pentaazaheptadecane)perchloratonickel(II) perchlorate, [Ni(ClO~4~)(C~12~H~31~N~5~)](ClO~4~)
Acta Crystallographica Section C
49(12)
(1993)
2114-2115 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,161 | 11.351 | 0.002 | 9.734 | 0.002 | 12.09 | 0.002 | 90 | null | 90 | null | 90 | null | 1,335.8 | 0.4 | 120 | null | null | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | - C8 H14 I2 N2 Zn - | - C8 I2 N2 Zn - | - C32 I8 N8 Zn4 - | 4 | 0.5 | AL1044 | Freer, A. A.; McDermott, G.; Melville, J. C.; Robins, D. J. | Structure of diiodobis(1-pyrroline)zine(II) | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2115 | 2117 | 10.1107/S010827019300544X | 0.7107 | MoKα | null | 0.034 | null | null | 0.06 | null | null | null | null | 3.2 | 3.2 | null | null | null | has coordinates | Freer, A. A.; McDermott, G.; Melville, J. C.; Robins, D. J.
Structure of diiodobis(1-pyrroline)zine(II)
Acta Crystallographica Section C
49(12)
(1993)
2115-2117 | 278,244 | 2022-09-28 | 13:56:22 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $
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2,001,162 | 12.362 | 0.003 | 10.44 | 0.003 | 18.641 | 0.005 | 90 | null | 92.29 | 0.02 | 90 | null | 2,403.9 | 1.1 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C12 H36 Cl5 N3 Zn - | - C12 H36 Cl5 N3 Zn - | - C48 H144 Cl20 N12 Zn4 - | 4 | 1 | OH1035 | Ishida, H.; Kashino, S. | Structure of [(CH~3~)~3~CNH~3~]~2~[ZnCl~4~].(CH~3~)~3~CNH~3~Cl | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2117 | 2119 | 10.1107/S0108270193006067 | 0.71073 | MoKα | null | 0.07 | null | null | 0.076 | null | null | null | null | 1.95 | 1.95 | null | null | null | has coordinates | Ishida, H.; Kashino, S.
Structure of [(CH~3~)~3~CNH~3~]~2~[ZnCl~4~].(CH~3~)~3~CNH~3~Cl
Acta Crystallographica Section C
49(12)
(1993)
2117-2119 | 199,682 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-08-09 16:39:09 +0300 (Wed, 09 Aug 2017) $
#$Revision: 199682 $
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2,001,163 | 14.251 | 0.007 | 10.062 | 0.009 | 8.691 | 0.009 | 103.91 | 0.06 | 90.65 | 0.07 | 99.98 | 0.05 | 1,189.5 | 1.8 | 293 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C18 H37 N2 O7 P S - | - C18 H37 N2 O7 P S - | - C36 H74 N4 O14 P2 S2 - | 2 | 1 | OH1022 | Izumi, M.; Ichikawa, K.; Suzuki, M.; Tanaka, I. | Structure of bis(triethylammonium) phenylphosphonatosulfate | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2119 | 2121 | 10.1107/S0108270193004688 | 0.71069 | MoKα | null | 0.0831 | null | null | 0.0831 | null | null | null | null | 2.0188 | 2.0188 | null | null | null | has coordinates | Izumi, M.; Ichikawa, K.; Suzuki, M.; Tanaka, I.
Structure of bis(triethylammonium) phenylphosphonatosulfate
Acta Crystallographica Section C
49(12)
(1993)
2119-2121 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,205,694 | 18.0632 | 0.0008 | 7.5649 | 0.0003 | 19.4089 | 0.0008 | 90 | null | 116.084 | 0.001 | 90 | null | 2,382.03 | 0.17 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C10 H14 N4 S2 - | - C10 H14 N4 S2 - | - C80 H112 N32 S16 - | 8 | 1 | Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W. | Hydrogen bonding interactions with the thiocarbonyl π-system | CrystEngComm | 2,011 | 13 | 9 | 3202 | 10.1039/c0ce00680g | 0.71073 | MoKα | 0.0366 | 0.0296 | null | null | 0.0735 | 0.0769 | null | null | null | null | null | 1.054 | null | null | has coordinates | Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.
Hydrogen bonding interactions with the thiocarbonyl π-system
CrystEngComm
13(9)
(2011)
3202 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
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2,001,164 | 25.767 | 0.002 | 13.897 | 0.002 | 19.867 | 0.004 | 90 | null | 126.91 | 0.01 | 90 | null | 5,688.3 | 1.7 | 293 | null | null | null | null | null | null | null | 3 | C 1 c 1 | C -2yc | null | - C58 H80 O10 - | - C58 H80 O10 - | - C232 H320 O40 - | 4 | 1 | PA1034 | Guelzim, A.; Khrifi, S.; Baert, F.; Asfari, Z.; Vicens, J. | Structure of diethyl 5,11,17,23-tetra-<i>tert</i>-butyl-26,28-bis(2-methoxyethoxy)calix[4]arene-25,27-bis(oxyacetate) | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2121 | 2124 | 10.1107/S010827019300349X | 1.5418 | CuKα | null | 0.062 | null | null | 0.062 | null | null | null | null | 2.31 | 2.31 | null | null | null | has coordinates | Guelzim, A.; Khrifi, S.; Baert, F.; Asfari, Z.; Vicens, J.
Structure of diethyl 5,11,17,23-tetra-<i>tert</i>-butyl-26,28-bis(2-methoxyethoxy)calix[4]arene-25,27-bis(oxyacetate)
Acta Crystallographica Section C
49(12)
(1993)
2121-2124 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$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/2/00/11/2001164.cif $
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2,001,165 | 20.666 | 0.002 | 10.71 | 0.001 | 20.302 | 0.003 | 90 | null | 118.72 | 0.008 | 90 | null | 3,940.7 | 0.8 | 295 | 1 | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C24 H19 N O2 S - | - C12 H9.5 N0.5 O S0.5 - | - C96 H76 N4 O8 S4 - | 8 | 2 | LI1050 | Helliwell, M.; Barnwell, N.; Mitchell, M. B.; Joule, J. A. | Structure of a phenylsulfonylallene | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2124 | 2126 | 10.1107/S0108270193005384 | 1.54178 | CuKα | null | 0.057 | null | null | 0.08 | null | null | null | null | 2.62 | 2.62 | null | null | null | has coordinates | Helliwell, M.; Barnwell, N.; Mitchell, M. B.; Joule, J. A.
Structure of a phenylsulfonylallene
Acta Crystallographica Section C
49(12)
(1993)
2124-2126 | 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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2,001,166 | 14.442 | 0.001 | 4.561 | 0.006 | 18.037 | 0.002 | 90 | null | 93.959 | 0.006 | 90 | null | 1,185.3 | 1.6 | 294 | 1 | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C16 H11 N O2 - | - C16 H11 N O2 - | - C64 H44 N4 O8 - | 4 | 1 | HA1045 | Glendinning, A.; Hunter, W. N.; Joule, J. A.; Leonard, G. A. | Structure of [2]benzoxepino[4,3-<i>b</i>]indole | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2126 | 2128 | 10.1107/S0108270193004299 | 1.5418 | CuKα | null | 0.048 | null | null | 0.048 | null | null | null | null | null | null | null | null | null | has coordinates | Glendinning, A.; Hunter, W. N.; Joule, J. A.; Leonard, G. A.
Structure of [2]benzoxepino[4,3-<i>b</i>]indole
Acta Crystallographica Section C
49(12)
(1993)
2126-2128 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$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/2/00/11/2001166.cif $
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2,001,167 | 23.513 | 0.006 | 5.965 | 0.002 | 13.433 | 0.004 | 90 | null | 92.05 | 0.03 | 90 | null | 1,882.8 | 1 | 295 | 2 | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C24 H21 N3 - | - C24 H21 N3 - | - C96 H84 N12 - | 4 | 1 | BR1033 | Glatzhofer, D. T.; Khan, M. A. | <i>N</i>,<i>N</i>',<i>N</i>''-Triphenyl-1,3,5-triaminobenzene and its σ complex on protonation: a stable <i>N</i>,<i>N</i>',<i>N</i>''-triphenyl-2,4,6-triaminocyclohexadienylium cation | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2128 | 2133 | 10.1107/S0108270193005025 | 0.71069 | MoKα | null | 0.038 | null | null | 0.04 | null | null | null | null | 1.4 | 1.4 | null | null | null | has coordinates | Glatzhofer, D. T.; Khan, M. A.
<i>N</i>,<i>N</i>',<i>N</i>''-Triphenyl-1,3,5-triaminobenzene and its σ complex on protonation: a stable <i>N</i>,<i>N</i>',<i>N</i>''-triphenyl-2,4,6-triaminocyclohexadienylium cation
Acta Crystallographica Section C
49(12)
(1993)
2128-2133 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,205,693 | 9.5098 | 0.0005 | 9.5098 | 0.0005 | 10.8333 | 0.0007 | 90 | null | 90 | null | 90 | null | 979.72 | 0.1 | 200 | null | 200 | null | null | null | null | null | 4 | P 42/n | -P 4bc | 86 | - C6 H14 N4 S2 - | - C6 H14 N4 S2 - | - C24 H56 N16 S8 - | 4 | null | Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W. | Hydrogen bonding interactions with the thiocarbonyl π-system | CrystEngComm | 2,011 | 13 | 9 | 3202 | 10.1039/c0ce00680g | x-ray | 0.71073 | MoKα | K-L~3~ | 0.0514 | 0.0296 | null | null | 0.0625 | 0.0685 | null | null | null | null | null | 0.921 | null | null | has coordinates | Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.
Hydrogen bonding interactions with the thiocarbonyl π-system
CrystEngComm
13(9)
(2011)
3202 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205693.cif $
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2,001,168 | 14.469 | 0.004 | 19.264 | 0.006 | 9.814 | 0.003 | 90 | null | 98.15 | 0.03 | 90 | null | 2,707.8 | 1.4 | 295 | 2 | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C31 H29 N3 O3 S - | - C31 H29 N3 O3 S - | - C124 H116 N12 O12 S4 - | 4 | 1 | BR1033 | Glatzhofer, D. T.; Khan, M. A. | <i>N</i>,<i>N</i>',<i>N</i>''-Triphenyl-1,3,5-triaminobenzene and its σ complex on protonation: a stable <i>N</i>,<i>N</i>',<i>N</i>''-triphenyl-2,4,6-triaminocyclohexadienylium cation | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2128 | 2133 | 10.1107/S0108270193005025 | 0.71069 | MoKα | null | 0.036 | null | null | 0.037 | null | null | null | null | 1.3 | 1.3 | null | null | null | has coordinates | Glatzhofer, D. T.; Khan, M. A.
<i>N</i>,<i>N</i>',<i>N</i>''-Triphenyl-1,3,5-triaminobenzene and its σ complex on protonation: a stable <i>N</i>,<i>N</i>',<i>N</i>''-triphenyl-2,4,6-triaminocyclohexadienylium cation
Acta Crystallographica Section C
49(12)
(1993)
2128-2133 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,001,169 | 3.986 | 0.003 | 11.753 | 0.004 | 8.154 | 0.002 | 90 | null | 99.2 | 0.03 | 90 | null | 377.1 | 0.3 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | Tetrathiooxalsäure-dimetylester | - C4 H6 S4 - | - C4 H6 S4 - | - C8 H12 S8 - | 2 | 0.5 | SE1030 | Sens, I.; Müller, U. | Tetrathiooxalsäure-Dimethylester | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2133 | 2134 | 10.1107/S0108270193007024 | 0.7107 | MoKα | 0.061 | 0.04 | null | null | 0.023 | null | null | null | null | 1.5 | 1.5 | null | null | null | has coordinates | Sens, I.; Müller, U.
Tetrathiooxalsäure-Dimethylester
Acta Crystallographica Section C
49(12)
(1993)
2133-2134 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,170 | 15.22 | 0.005 | 8.229 | 0.005 | 15.717 | 0.005 | 90 | null | 116.84 | 0.03 | 90 | null | 1,756.4 | 1.4 | 190 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C34 H44 O12 S2 - | - C27 H29 O6 S - | - C54 H58 O12 S2 - | 2 | 1 | CD1030 | Chênevert, R.; Gagnon, R.; Simard, M. | 18-Crown-6‒methyl 2-naphthalenesulfonate (1/2) complex | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2134 | 2137 | 10.1107/S0108270193002951 | 1.54178 | CuKα | null | 0.04 | null | null | 0.055 | null | null | null | null | 2.88 | 2.88 | null | null | null | has coordinates | Chênevert, R.; Gagnon, R.; Simard, M.
18-Crown-6‒methyl 2-naphthalenesulfonate (1/2) complex
Acta Crystallographica Section C
49(12)
(1993)
2134-2137 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,171 | 7.605 | 0.002 | 8.401 | 0.002 | 11.555 | 0.002 | 106.86 | 0.02 | 102.57 | 0.02 | 102.17 | 0.02 | 659.3 | 0.3 | 296 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C14 H16 N2 O2 - | - C14 H16 N2 O2 - | - C28 H32 N4 O4 - | 2 | 1 | HL1030 | Shi, J.; Su, G.; He, Y. | Structures of ethyl 2-cyano-3-(4-dimethylaminophenyl)propenoate (I) and ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)propenoate (II) | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2137 | 2139 | 10.1107/S0108270193004901 | 0.71069 | MoKα | null | 0.052 | null | null | 0.073 | null | null | null | null | 2.25 | 2.25 | null | null | null | has coordinates | Shi, J.; Su, G.; He, Y.
Structures of ethyl 2-cyano-3-(4-dimethylaminophenyl)propenoate (I) and ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)propenoate (II)
Acta Crystallographica Section C
49(12)
(1993)
2137-2139 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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7,205,692 | 10.6285 | 0.0004 | 9.7517 | 0.0004 | 12.8232 | 0.0005 | 90 | null | 109.712 | 0.001 | 90 | null | 1,251.19 | 0.09 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C11 H17 N3 S - | - C11 H17 N3 S - | - C44 H68 N12 S4 - | 4 | 1 | Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W. | Hydrogen bonding interactions with the thiocarbonyl π-system | CrystEngComm | 2,011 | 13 | 9 | 3202 | 10.1039/c0ce00680g | 0.71073 | MoKα | 0.0494 | 0.0373 | null | null | 0.0922 | 0.0982 | null | null | null | null | null | 1.042 | null | null | has coordinates | Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.
Hydrogen bonding interactions with the thiocarbonyl π-system
CrystEngComm
13(9)
(2011)
3202 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
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2,001,172 | 10.644 | 0.002 | 9.355 | 0.002 | 12.643 | 0.003 | 90 | null | 97.18 | 0.02 | 90 | null | 1,249 | 0.5 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C13 H13 N O4 - | - C13 H13 N O4 - | - C52 H52 N4 O16 - | 4 | 1 | HL1030 | Shi, J.; Su, G.; He, Y. | Structures of ethyl 2-cyano-3-(4-dimethylaminophenyl)propenoate (I) and ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)propenoate (II) | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2137 | 2139 | 10.1107/S0108270193004901 | 0.71069 | MoKα | null | 0.056 | null | null | 0.066 | null | null | null | null | 2.08 | 2.08 | null | null | null | has coordinates | Shi, J.; Su, G.; He, Y.
Structures of ethyl 2-cyano-3-(4-dimethylaminophenyl)propenoate (I) and ethyl 2-cyano-3-(4-hydroxy-3-methoxyphenyl)propenoate (II)
Acta Crystallographica Section C
49(12)
(1993)
2137-2139 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,173 | 8.594 | 0.002 | 14.045 | 0.006 | 11.509 | 0.006 | 90 | null | 90 | null | 90 | null | 1,389.2 | 1 | 293 | null | null | null | null | null | null | null | 3 | P c a 21 | P 2c -2ac | null | - C16 H20 O3 - | - C16 H20 O3 - | - C64 H80 O12 - | 4 | 1 | HA1049 | Soriano-García, M.; Iribe, R. V.; Covarrubias, A.; Olguín, J. S.; Maldonado, L. A. | Structure of 10-hydroxy-4-methoxy-5,9-dimethyltricyclo[7.3.1.0^2,7^]trideca-2,4,6-trien-13-one | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2140 | 2141 | 10.1107/S0108270193005050 | 1.5418 | CuKα | null | 0.034 | null | null | 0.046 | null | null | null | null | 1.3 | 1.3 | null | null | null | has coordinates | Soriano-García, M.; Iribe, R. V.; Covarrubias, A.; Olguín, J. S.; Maldonado, L. A.
Structure of 10-hydroxy-4-methoxy-5,9-dimethyltricyclo[7.3.1.0^2,7^]trideca-2,4,6-trien-13-one
Acta Crystallographica Section C
49(12)
(1993)
2140-2141 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,174 | 9.221 | 0.001 | 18.157 | 0.002 | 10.318 | 0.001 | 90 | null | 90 | null | 90 | null | 1,727.5 | 0.3 | 153 | 2 | 153 | 2 | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | 2,4,6-tris(tert.-butyl)anilin | - C18 H31 N - | - C18 H31 N - | - C72 H124 N4 - | 4 | 0.5 | SE1024 | Pohl, E.; Herbst-Irmer, R.; Köhler, K.; Roesky, H. W.; Sheldrick, G. M. | Structure of 2,4,6-tri(<i>tert</i>-butyl)aniline at 153 K | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2141 | 2143 | 10.1107/S0108270193005827 | 0.71073 | MoKα | 0.0621 | 0.0522 | null | 0.1662 | null | null | null | null | 1.071 | 1.086 | 1.086 | null | null | null | has coordinates,has disorder | Pohl, E.; Herbst-Irmer, R.; Köhler, K.; Roesky, H. W.; Sheldrick, G. M.
Structure of 2,4,6-tri(<i>tert</i>-butyl)aniline at 153 K
Acta Crystallographica Section C
49(12)
(1993)
2141-2143 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,175 | 17.77 | 0.006 | 5.379 | 0.009 | 36.001 | 0.006 | 90 | null | 90 | null | 90 | null | 3,441 | 1 | 294 | null | null | null | null | null | null | null | 3 | P c a 21 | P 2c -2ac | null | - C22 H19 N3 - | - C22 H19 N3 - | - C176 H152 N24 - | 8 | 2 | PA1035 | Toupet, L.; Soufiaoui, M.; Carrie, R. | Etude de la phenylhydrazone du 3-benzoyl-1-methylindole | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2143 | 2145 | 10.1107/S0108270193005190 | 0.70926 | MoKα | null | 0.038 | null | null | 0.039 | null | null | null | null | 2.3 | 2.3 | null | null | null | has coordinates | Toupet, L.; Soufiaoui, M.; Carrie, R.
Etude de la phenylhydrazone du 3-benzoyl-1-methylindole
Acta Crystallographica Section C
49(12)
(1993)
2143-2145 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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7,205,691 | 14.7266 | 0.0006 | 7.6637 | 0.0003 | 16.2667 | 0.0007 | 90 | null | 105.323 | 0.004 | 90 | null | 1,770.6 | 0.13 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C8 H11 N3 S - | - C8 H11 N3 S - | - C64 H88 N24 S8 - | 8 | 2 | Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W. | Hydrogen bonding interactions with the thiocarbonyl π-system | CrystEngComm | 2,011 | 13 | 9 | 3202 | 10.1039/c0ce00680g | 0.7107 | MoKα | 0.062 | 0.0531 | null | null | 0.1373 | 0.1486 | null | null | null | null | null | 1.064 | null | null | has coordinates | Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.
Hydrogen bonding interactions with the thiocarbonyl π-system
CrystEngComm
13(9)
(2011)
3202 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
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2,001,176 | 17.794 | 0.005 | 10.002 | 0.003 | 12.502 | 0.004 | 90 | null | 92.16 | 0.03 | 90 | null | 2,223.5 | 1.2 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C13 H32 Cl N O2 Si3 - | - C13 H32 Cl N O2 Si3 - | - C52 H128 Cl4 N4 O8 Si12 - | 4 | 1 | SE1021 | Ramm, M.; Schmaucks, G.; Rudert, R.; Schulz, B. | Structure of 1-ethyl-3-(heptamethyltrisiloxan-3-yl)pyrroline hydrochloride, C~13~H~32~NO~2~Si~3~^+^.Cl^{-^} | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2145 | 2147 | 10.1107/S0108270193005621 | 0.71069 | MoKα | null | 0.062 | null | null | 0.072 | null | null | null | null | 2.927 | 2.927 | null | null | null | has coordinates | Ramm, M.; Schmaucks, G.; Rudert, R.; Schulz, B.
Structure of 1-ethyl-3-(heptamethyltrisiloxan-3-yl)pyrroline hydrochloride, C~13~H~32~NO~2~Si~3~^+^.Cl^{-^}
Acta Crystallographica Section C
49(12)
(1993)
2145-2147 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,177 | 8.1358 | 0.0006 | 8.6407 | 0.0004 | 9.6854 | 0.0005 | 81.098 | 0.004 | 87.352 | 0.005 | 72.702 | 0.005 | 642.25 | 0.07 | 297 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C28 H24 N2 O4 S2 - | - C28 H24 N2 O4 S2 - | - C28 H24 N2 O4 S2 - | 1 | 0.5 | CR1052 | Davis, D. S.; Stubbs, J. L.; Fronczek, F. R.; Gandour, R. D. | <i>N</i>,<i>N</i>'-(1,2-Ethynylenedi-2,2'-phenylene)bis(4-methylbenzenesulfonamide) | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2148 | 2149 | 10.1107/S0108270193004731 | 1.54184 | CuKα | null | 0.037 | null | null | 0.059 | null | null | null | null | 2.642 | 2.642 | null | null | null | has coordinates | Davis, D. S.; Stubbs, J. L.; Fronczek, F. R.; Gandour, R. D.
<i>N</i>,<i>N</i>'-(1,2-Ethynylenedi-2,2'-phenylene)bis(4-methylbenzenesulfonamide)
Acta Crystallographica Section C
49(12)
(1993)
2148-2149 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,178 | 15.834 | 0.002 | 9.558 | 0.002 | 8.216 | 0.001 | 90 | null | 95.77 | 0.01 | 90 | null | 1,237.1 | 0.3 | 298 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C16 H10 O5 - | - C16 H10 O5 - | - C64 H40 O20 - | 4 | 1 | OH1034 | Ohsawa, Y.; Ohba, S. | Damnacanthal | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2149 | 2151 | 10.1107/S0108270193005670 | 0.71073 | MoKα | null | 0.042 | null | null | 0.046 | null | null | null | null | 1.82 | 1.82 | null | null | null | has coordinates | Ohsawa, Y.; Ohba, S.
Damnacanthal
Acta Crystallographica Section C
49(12)
(1993)
2149-2151 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,179 | 5.707 | 0.001 | 10.227 | 0.002 | 16.625 | 0.002 | 80.48 | 0.01 | 87.25 | 0.01 | 74.5 | 0.01 | 922.2 | 0.3 | 296 | null | 296 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | (±)(1R,2S,3R,6S,7R,8S,13R)-9-[(phenylacetoxy)ethyl]-10-trifluoromethyl- 11,12-dioxatetracyclo [6.2.1.1.^3,6^0^2,7^]deca-4,9-diene | - C21 H19 F3 O4 - | - C21 H19 F3 O4 - | - C42 H38 F6 O8 - | 2 | 1 | HU1033 | Barlow, M. G.; Pritchard, R. G.; Tajammal, S.; Tipping, A. E. | Two diastereoisomers of 1-(10-trifluoromethyl-11,12-dioxatetracyclo[6.2.1.1^3,6^.0^2,7^]dodeca-4,9-dien-9-yl)ethyl phenylacetate, C~21~H~19~F~3~O~4~: members of a series of adducts generated by repeated Diels–Alder cycloaddition of furan to 5,5,5-trifluoropent-3-yn-2-yl phenylacetate | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2151 | 2153 | 10.1107/S0108270193007668 | 0.7107 | MoKα | null | 0.0522 | null | null | 0.0298 | null | null | null | null | 1.734 | 1.734 | null | null | null | has coordinates | Barlow, M. G.; Pritchard, R. G.; Tajammal, S.; Tipping, A. E.
Two diastereoisomers of 1-(10-trifluoromethyl-11,12-dioxatetracyclo[6.2.1.1^3,6^.0^2,7^]dodeca-4,9-dien-9-yl)ethyl phenylacetate, C~21~H~19~F~3~O~4~: members of a series of adducts generated by repeated Diels–Alder cycloaddition of furan to 5,5,5-trifluorope... | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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7,205,690 | 15.9388 | 0.0011 | 28.52 | 0.002 | 16.1837 | 0.0011 | 90 | null | 105.714 | 0.001 | 90 | null | 7,081.7 | 0.8 | 185 | 2 | 185 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C61 H53 Cd2 N9 O10 - | - C61 H44 Cd2 N9 O10 - | - C244 H176 Cd8 N36 O40 - | 4 | 1 | Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie | Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals | CrystEngComm | 2,011 | 13 | 8 | 2935 | 10.1039/c0ce00662a | 0.71073 | MoKα | 0.1599 | 0.0812 | null | null | 0.2564 | 0.3021 | null | null | null | null | null | 1.062 | null | null | has coordinates | Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie
Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals
CrystEngComm
13(8)
(2011)
2935 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,180 | 5.87 | 0.001 | 13.845 | 0.002 | 22.664 | 0.002 | 90 | null | 90 | null | 90 | null | 1,841.9 | 0.4 | 296 | null | 296 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (±)(1R,2S,3R,6S,7R,8S,13S)-9-[(phenylacetoxy)ethyl]-10-trifluoromethyl- 11,12-dioxatetracyclo [6.2.1.1.^3,6^0^2,7^]deca-4,9-diene | - C21 H19 F3 O4 - | - C21 H19 F3 O4 - | - C84 H76 F12 O16 - | 4 | 1 | HU1033 | Barlow, M. G.; Pritchard, R. G.; Tajammal, S.; Tipping, A. E. | Two diastereoisomers of 1-(10-trifluoromethyl-11,12-dioxatetracyclo[6.2.1.1^3,6^.0^2,7^]dodeca-4,9-dien-9-yl)ethyl phenylacetate, C~21~H~19~F~3~O~4~: members of a series of adducts generated by repeated Diels–Alder cycloaddition of furan to 5,5,5-trifluoropent-3-yn-2-yl phenylacetate | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2151 | 2153 | 10.1107/S0108270193007668 | 0.7107 | MoKα | null | 0.0689 | null | null | 0.0349 | null | null | null | null | 1.954 | 1.954 | null | null | null | has coordinates | Barlow, M. G.; Pritchard, R. G.; Tajammal, S.; Tipping, A. E.
Two diastereoisomers of 1-(10-trifluoromethyl-11,12-dioxatetracyclo[6.2.1.1^3,6^.0^2,7^]dodeca-4,9-dien-9-yl)ethyl phenylacetate, C~21~H~19~F~3~O~4~: members of a series of adducts generated by repeated Diels–Alder cycloaddition of furan to 5,5,5-trifluorope... | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,181 | 8.11 | 0.009 | 9.07 | 0.01 | 15.61 | 0.02 | 81.37 | 0.09 | 85.29 | 0.09 | 68.61 | 0.09 | 1,057 | 2 | 293 | null | 293 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | (^+^~-~)-(R^*^{S^*^[S^*^-(S^*^)]})-α,α'-[Iminobis(methylene-6-fluoro- 3,4-dihydro-2H-1-benzopyran-2-methanol] Hydrochloride | - C22 H27 Cl F2 N O4 - | - C22 H26 Cl F2 N O4 - | - C44 H52 Cl2 F4 N2 O8 - | 2 | 1 | NA1052 | Peeters, O. M.; Blaton, N. M.; De Ranter, C. J. | Structure and absolute configuration of nebivolol: (±)-(<i>R</i>*{<i>S</i>*[<i>S</i>*-(<i>S</i>*)]})-α,α'-[iminobis(methylene)]bis(6-fluoro-3,4-dihydro-2<i>H</i>-1-benzopyran-2-methanol) (nebivolol) hydrochloride (I) and (+)-(<i>S</i>{<i>R</i>[<i>R</i>-(<i>R</i>)]})-nebivolol hydrobromide dihydrate (II) | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2154 | 2157 | 10.1107/S0108270193006687 | 1.54178 | CuKα | 0.0935 | 0.0464 | null | 0.09 | 0.0699 | null | null | null | null | 1.1 | 1.1 | null | null | null | has coordinates | Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.
Structure and absolute configuration of nebivolol: (±)-(<i>R</i>*{<i>S</i>*[<i>S</i>*-(<i>S</i>*)]})-α,α'-[iminobis(methylene)]bis(6-fluoro-3,4-dihydro-2<i>H</i>-1-benzopyran-2-methanol) (nebivolol) hydrochloride (I) and (+)-(<i>S</i>{<i>R</i>[<i>R</i>-(<i>R</i>)]})-nebiv... | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,182 | 4.841 | 0.004 | 14.617 | 0.007 | 33.46 | 0.01 | 90 | null | 90 | null | 90 | null | 2,368 | 2 | 293 | null | 293 | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | (+)-(S{R[R-(R)]})-α,α'-[Iminobis(methylene-6-fluoro-3,4-dihydro -2H-1-benzopyran-2-methanol)] Hydrobromide Dihydrate | - C22 H30 Br F2 N O6 - | - C22 H30 Br F2 N O6 - | - C88 H120 Br4 F8 N4 O24 - | 4 | 1 | NA1052 | Peeters, O. M.; Blaton, N. M.; De Ranter, C. J. | Structure and absolute configuration of nebivolol: (±)-(<i>R</i>*{<i>S</i>*[<i>S</i>*-(<i>S</i>*)]})-α,α'-[iminobis(methylene)]bis(6-fluoro-3,4-dihydro-2<i>H</i>-1-benzopyran-2-methanol) (nebivolol) hydrochloride (I) and (+)-(<i>S</i>{<i>R</i>[<i>R</i>-(<i>R</i>)]})-nebivolol hydrobromide dihydrate (II) | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2154 | 2157 | 10.1107/S0108270193006687 | 1.54178 | CuKα | 0.1867 | 0.0658 | null | 0.1214 | 0.0833 | null | null | null | null | 1.53 | 1.53 | null | null | null | has coordinates | Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.
Structure and absolute configuration of nebivolol: (±)-(<i>R</i>*{<i>S</i>*[<i>S</i>*-(<i>S</i>*)]})-α,α'-[iminobis(methylene)]bis(6-fluoro-3,4-dihydro-2<i>H</i>-1-benzopyran-2-methanol) (nebivolol) hydrochloride (I) and (+)-(<i>S</i>{<i>R</i>[<i>R</i>-(<i>R</i>)]})-nebiv... | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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7,205,689 | 15.3836 | 0.0007 | 21.5307 | 0.001 | 15.7987 | 0.0007 | 90 | null | 96.401 | 0.001 | 90 | null | 5,200.2 | 0.4 | 185 | 2 | 185 | 2 | null | null | null | null | 5 | C 1 2/m 1 | -C 2y | 12 | - C50.75 H43.75 N4.25 O8.25 Zn2 - | - C50.75 H42 N4.25 O8.26 Zn2 - | - C203 H168 N17 O33.04 Zn8 - | 4 | 0.5 | Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie | Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals | CrystEngComm | 2,011 | 13 | 8 | 2935 | 10.1039/c0ce00662a | 0.71073 | MoKα | 0.0643 | 0.0511 | null | null | 0.1763 | 0.1861 | null | null | null | null | null | 1.138 | null | null | has coordinates,has disorder | Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie
Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals
CrystEngComm
13(8)
(2011)
2935 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,183 | 7.2214 | 0.0005 | 8.0172 | 0.0007 | 26.288 | 0.002 | 90 | null | 90 | null | 90 | null | 1,522 | 0.2 | 293 | null | 293 | null | null | null | null | null | 5 | P 21 c n | P -2n 2a | 33 | alkynyl pyridinium p-toluenesulfonate salt | 1-(3-butynyl)pyridinum p-toluenesulphonate | - C16 H17 N O3 S - | - C16 H15.5 N O3 S - | - C64 H62 N4 O12 S4 - | 4 | 1 | MU1050 | Ferguson, G.; Gallagher, J. F.; Maguire, A. R.; Spalding, T. R.; Peters, G.; Morris, J. R. | Structure of 1-(3-butynyl)pyridinium <i>p</i>-toluenesulfonate | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2160 | 2162 | 10.1107/S0108270193006523 | 0.71073 | MolybdenumKα | 0.066 | 0.046 | null | 0.097 | 0.08 | null | null | null | null | 1.72 | 1.72 | null | null | null | has coordinates | Ferguson, G.; Gallagher, J. F.; Maguire, A. R.; Spalding, T. R.; Peters, G.; Morris, J. R.
Structure of 1-(3-butynyl)pyridinium <i>p</i>-toluenesulfonate
Acta Crystallographica Section C
49(12)
(1993)
2160-2162 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,184 | 6.7004 | 0.0005 | 7.1548 | 0.0005 | 14.7572 | 0.0014 | 90 | null | 90 | null | 90 | null | 707.46 | 0.1 | 293 | null | 293 | null | null | null | null | null | 4 | P m c n | -P 2n 2a | 62 | 6-amino-1,3-dimethyluracil | 6-amino-1,3-dimethyluracil | - C6 H9 N3 O2 - | - C6 H9 N3 O2 - | - C24 H36 N12 O8 - | 4 | 0.5 | AB1089 | Ferguson, G.; Gallagher, J. F.; Low, J. N.; Howie, R. A.; Hueso-Urena, F.; Moreno Carretero, M. N. | Intermolecular N‒H^{···^}O=C hydrogen bonding in the crystal structure of 6-amino-1,3-dimethyluracil | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2162 | 2164 | 10.1107/S0108270193006407 | 0.7093 | MoKα | 0.057 | 0.043 | null | 0.074 | 0.071 | null | null | null | null | 1.95 | 1.95 | null | null | null | has coordinates | Ferguson, G.; Gallagher, J. F.; Low, J. N.; Howie, R. A.; Hueso-Urena, F.; Moreno Carretero, M. N.
Intermolecular N‒H^{···^}O=C hydrogen bonding in the crystal structure of 6-amino-1,3-dimethyluracil
Acta Crystallographica Section C
49(12)
(1993)
2162-2164 | 191,032 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,185 | 8.431 | 0.001 | 20.452 | 0.003 | 10.615 | 0.003 | 90 | null | 111.42 | 0.01 | 90 | null | 1,703.9 | 0.6 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | - C16 H25.44 Br N3 O1.72 - | - C16 H25.44 Br N3 O1.72 - | - C64 H101.76 Br4 N12 O6.88 - | 4 | 1 | HA1050 | Farrugia, L. J.; Lovatt, P. A.; Peacock, R. D. | Structure of <i>N</i>^1^-(3-phenoxypropyl)-4,7-diaza-1-azoniatricyclo[5.2.1.0^4,10^]decane bromide hydrate | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2164 | 2165 | 10.1107/S0108270193005475 | 0.71069 | MoKα | null | 0.048 | null | null | 0.041 | null | null | null | null | 1.33 | 1.33 | null | null | null | has coordinates | Farrugia, L. J.; Lovatt, P. A.; Peacock, R. D.
Structure of <i>N</i>^1^-(3-phenoxypropyl)-4,7-diaza-1-azoniatricyclo[5.2.1.0^4,10^]decane bromide hydrate
Acta Crystallographica Section C
49(12)
(1993)
2164-2165 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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7,205,688 | 8.7713 | 0.0008 | 18.1647 | 0.0016 | 15.8994 | 0.0014 | 90 | null | 90.0041 | null | 90 | null | 2,533.2 | 0.4 | 185 | 2 | 185 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C49 H43 N5 O10 Zn2 - | - C49 H41 N5 O9.4 Zn2 - | - C98 H82 N10 O18.8 Zn4 - | 2 | 0.5 | Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie | Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals | CrystEngComm | 2,011 | 13 | 8 | 2935 | 10.1039/c0ce00662a | 0.71073 | MoKα | 0.0693 | 0.0528 | null | null | 0.148 | 0.1609 | null | null | null | null | null | 1.09 | null | null | has coordinates | Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie
Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals
CrystEngComm
13(8)
(2011)
2935 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,186 | 12.424 | 0.002 | 14.402 | 0.002 | 8.09 | 0.001 | 90 | null | 101.06 | null | 90 | null | 1,420.7 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C16 H11 Cl N2 O2 - | - C16 H11 Cl N2 O2 - | - C64 H44 Cl4 N8 O8 - | 4 | 1 | AB1072 | Özbey, S.; Kendi, E.; Hocaoğlu, N.; Uyar, T.; Mak, T. C. W. | 2-(4-Chlorophenylazo)-2-methyl-1,3-indandione | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2165 | 2167 | 10.1107/S0108270193005682 | 0.7107 | MoKα | null | 0.037 | null | null | 0.037 | null | null | null | null | null | null | null | null | null | has coordinates | Özbey, S.; Kendi, E.; Hocaoğlu, N.; Uyar, T.; Mak, T. C. W.
2-(4-Chlorophenylazo)-2-methyl-1,3-indandione
Acta Crystallographica Section C
49(12)
(1993)
2165-2167 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,187 | 9.991 | 0.004 | 10.012 | 0.003 | 11.763 | 0.002 | 113.46 | 0.02 | 108.65 | 0.02 | 96.59 | 0.03 | 982.2 | 0.6 | 292 | null | 292 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 3-cyano-4-(2,4-dimethoxyphenyl)-1,1-diphenyl-2-azabutadiene | - C24 H20 N2 O2 - | - C24 H20 N2 O2 - | - C48 H40 N4 O4 - | 2 | 1 | KA1045 | Macíček, J.; Angelova, O.; Dryanska, V. | Structures of 1,1-diphenyl-2-aza-1,3-butadienes. IV. 3-Cyano-4-(2,4-dichlorophenyl)-1,1-diphenyl-2-aza-1,3-butadiene (24CLPD) and 3-cyano-4-(2,4-dimethoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene (24MOPD) | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2169 | 2173 | 10.1107/S0108270193006420 | 0.71073 | MoKα | 0.408 | 0.058 | null | 0.065 | 0.029 | null | null | null | 2.3 | 1.573 | 1.573 | null | null | null | has coordinates | Macíček, J.; Angelova, O.; Dryanska, V.
Structures of 1,1-diphenyl-2-aza-1,3-butadienes. IV. 3-Cyano-4-(2,4-dichlorophenyl)-1,1-diphenyl-2-aza-1,3-butadiene (24CLPD) and 3-cyano-4-(2,4-dimethoxyphenyl)-1,1-diphenyl-2-aza-1,3-butadiene (24MOPD)
Acta Crystallographica Section C
49(12)
(1993)
2169-2173 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,188 | 28.0154 | 0.0006 | 9.8541 | 0.0002 | 21.8502 | 0.0003 | 90 | null | 123.375 | 0.001 | 90 | null | 5,037.34 | 0.17 | 298 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | null | - C34 H31 N O - | - C34 H31 N O - | - C272 H248 N8 O8 - | 8 | 1 | SH1050 | Schollmeyer, D.; Fischer, G.; Pindur, U. | Annellated carbazoles as nucleic acid binding drugs: structure of 6-ethyl-6,11-dihydro-5-(4-phenoxybutyl)-5<i>H</i>-6,11-<i>o</i>-benzenobenzo[<i>b</i>]carbazole | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2177 | 2179 | 10.1107/S0108270193005839 | 1.5418 | CuKα | null | 0.042 | null | null | 0.042 | null | null | null | null | null | null | null | null | null | has coordinates | Schollmeyer, D.; Fischer, G.; Pindur, U.
Annellated carbazoles as nucleic acid binding drugs: structure of 6-ethyl-6,11-dihydro-5-(4-phenoxybutyl)-5<i>H</i>-6,11-<i>o</i>-benzenobenzo[<i>b</i>]carbazole
Acta Crystallographica Section C
49(12)
(1993)
2177-2179 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,189 | 7.052 | 0.001 | 7.616 | 0.001 | 22.429 | 0.003 | 90 | null | 93.42 | 0.01 | 90 | null | 1,202.5 | 0.3 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C13 H12 N4 O2 - | - C13 H12 N4 O2 - | - C52 H48 N16 O8 - | 4 | 1 | AB1075 | Ertan, A.; Koziol, J. | Structure of 1,3,9-trimethylalloxazine | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2179 | 2181 | 10.1107/S0108270193005803 | 1.54183 | CuKα | null | 0.048 | null | null | 0.069 | null | null | null | null | null | null | null | null | null | has coordinates | Ertan, A.; Koziol, J.
Structure of 1,3,9-trimethylalloxazine
Acta Crystallographica Section C
49(12)
(1993)
2179-2181 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,190 | 10.6819 | 0.0009 | 9.964 | 0.001 | 16.2694 | 0.0009 | 90 | null | 90 | null | 90 | null | 1,731.6 | 0.2 | 296 | null | null | null | null | null | null | null | 3 | P n a 21 | P 2c -2n | null | - C20 H22 O3 - | - C23 H13 O3 - | - C92 H52 O12 - | 4 | 1 | HL1029 | Kagawa, H.; Sagawa, M.; Kakuta, A. | 3-(4-<i>tert</i>-Butylphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-propen-1-one: an SHG active β-diketone | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2181 | 2183 | 10.1107/S0108270193005906 | 1.54178 | CuKα | null | 0.048 | null | null | 0.064 | null | null | null | null | 1.59 | 1.59 | null | null | null | has coordinates | Kagawa, H.; Sagawa, M.; Kakuta, A.
3-(4-<i>tert</i>-Butylphenyl)-3-hydroxy-1-(4-methoxyphenyl)-2-propen-1-one: an SHG active β-diketone
Acta Crystallographica Section C
49(12)
(1993)
2181-2183 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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7,205,687 | 12.5219 | 0.0007 | 12.2292 | 0.0007 | 17.7853 | 0.001 | 90 | null | 96.421 | 0.001 | 90 | null | 2,706.4 | 0.3 | 185 | 2 | 185 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C30 H32 Cd N4 O4 - | - C30 H32 Cd N4 O4 - | - C120 H128 Cd4 N16 O16 - | 4 | 1 | Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie | Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals | CrystEngComm | 2,011 | 13 | 8 | 2935 | 10.1039/c0ce00662a | 0.71073 | MoKα | 0.083 | 0.0485 | null | null | 0.1086 | 0.1239 | null | null | null | null | null | 1.022 | null | null | has coordinates | Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie
Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals
CrystEngComm
13(8)
(2011)
2935 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,191 | 7.471 | 0.001 | 8.588 | 0.002 | 5.684 | 0.001 | 90 | null | 90 | null | 90 | null | 364.69 | 0.12 | 293 | null | null | null | null | null | null | null | 3 | P b a m | -P 2 2ab | null | - Mn2 Nd O5 - | - Mn2 Nd O5 - | - Mn8 Nd4 O20 - | 4 | 0.5 | DU1038 | Euzen, P.; Leone, P.; Gueho, C.; Palvadeau, P. | Structure of NdMn~2~O~5~ | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1875 | 1877 | 10.1107/S0108270193003221 | 0.71069 | MoKα | null | 0.02 | null | null | 0.021 | null | null | null | null | null | null | null | null | null | has coordinates | Euzen, P.; Leone, P.; Gueho, C.; Palvadeau, P.
Structure of NdMn~2~O~5~
Acta Crystallographica Section C
49(11)
(1993)
1875-1877 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,001,192 | 9.945 | 0.001 | 10.156 | 0.001 | 9.974 | 0.002 | 90 | null | 97.64 | 0.01 | 90 | null | 998.5 | null | 294 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - Mo2 O11 P2 Tl2 - | - Mo2 O11 P2 Tl2.5 - | - Mo8 O44 P8 Tl10 - | 4 | 1 | DU1040 | Guesdon, A.; Borel, M. M.; Grandin, A.; Leclaire, A.; Raveau, B. | Structure of Tl~2~Mo~2~P~2~O~11~ | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1877 | 1879 | 10.1107/S0108270193004287 | 0.71073 | MoKα | null | 0.044 | null | null | 0.047 | null | null | null | null | 1.001 | 1.001 | null | 1,001,592 | null | has coordinates | Guesdon, A.; Borel, M. M.; Grandin, A.; Leclaire, A.; Raveau, B.
Structure of Tl~2~Mo~2~P~2~O~11~
Acta Crystallographica Section C
49(11)
(1993)
1877-1879 | 287,519 | 2023-11-10 | 19:29:21 | #------------------------------------------------------------------------------
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2,001,193 | 18.839 | 0.002 | 12.719 | 0.001 | 18.743 | 0.002 | 90 | null | 109.55 | 0.02 | 90 | null | 4,232.2 | 0.9 | 298 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - H44 O50 Sr3 V10 - | - H10 O50 Sr3 V10 - | - H40 O200 Sr12 V40 - | 4 | 0.5 | MU1037 | Nieto, J. M.; Salagre, P.; Medina, F.; Sueiras, J. E.; Solans, X. | Structure of Sr~3~V~10~O~28~.22H~2~O | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1879 | 1881 | 10.1107/S0108270193003361 | 0.71069 | MoKα | null | 0.031 | null | null | 0.033 | null | null | null | null | null | null | null | null | null | has coordinates | Nieto, J. M.; Salagre, P.; Medina, F.; Sueiras, J. E.; Solans, X.
Structure of Sr~3~V~10~O~28~.22H~2~O
Acta Crystallographica Section C
49(11)
(1993)
1879-1881 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,001,194 | 9.053 | 0.001 | 8.036 | 0.001 | 7.834 | 0.001 | 90 | null | 90 | null | 90 | null | 569.92 | 0.12 | 296 | null | null | null | null | null | null | null | 4 | P n a m | -P 2c -2n | null | - C2 H4 O6 Pb - | - C2 H4 O6 Pb - | - C8 H16 O24 Pb4 - | 4 | 0.5 | AB1074 | Virovets, A. V.; Naumov, D. Yu.; Boldyreva, E. V.; Podberezskaya, N. V. | Structure of lead(II) oxalate dihydrate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1882 | 1884 | 10.1107/S0108270193004652 | 1.54178 | CuKα | null | 0.027 | null | null | 0.028 | null | null | null | null | 1.21 | 1.21 | null | null | null | has coordinates | Virovets, A. V.; Naumov, D. Yu.; Boldyreva, E. V.; Podberezskaya, N. V.
Structure of lead(II) oxalate dihydrate
Acta Crystallographica Section C
49(11)
(1993)
1882-1884 | 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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2,001,195 | 10.065 | 0.002 | 10.437 | 0.002 | 12.974 | 0.004 | 68.22 | 0.02 | 70.69 | 0.02 | 88.31 | 0.02 | 1,187.6 | 0.6 | 293 | 3 | 293 | 3 | null | null | null | null | 5 | P -1 | -P 1 | 2 | trans-Dichlorobis(1,2-bis(diphenylphosphino)ethane)osmium(II) Dichloromethane Solvate | - C53 H50 Cl4 Os P4 - | - C52.928 H49.856 Cl3.856 Os P4 - | - C52.928 H49.856 Cl3.856 Os P4 - | 1 | 0.5 | HA1057 | Levason, W.; Champness, N. R.; Webster, M. | Structure of <i>trans</i>-dichlorobis[1,2-bis(diphenylphosphino)ethane]osmium(II) dichloromethane solvate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1884 | 1885 | 10.1107/S0108270193004639 | 0.71069 | MoKα | null | 0.0231 | null | null | 0.0313 | null | null | null | null | 1.27 | 1.27 | null | null | null | has coordinates | Levason, W.; Champness, N. R.; Webster, M.
Structure of <i>trans</i>-dichlorobis[1,2-bis(diphenylphosphino)ethane]osmium(II) dichloromethane solvate
Acta Crystallographica Section C
49(11)
(1993)
1884-1885 | 199,607 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,196 | 15.887 | 0.003 | 9.858 | 0.002 | 17.568 | 0.003 | 90 | null | 112.75 | 0.02 | 90 | null | 2,537.3 | 0.9 | 293 | null | 293 | null | null | null | null | null | 6 | P 1 21/c 1 | null | Cobalt(III)sepulchrate cyclo-triphosphate-water(2/7) | (1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]eicosane)cobalt(III)cyclo-triphosphate -water (2/7) | - C12 H37 Co N8 O12.5 P3 - | - C12 H34 Co N8 O13 P3 - | - C48 H136 Co4 N32 O52 P12 - | 4 | 1 | AL1051 | Bacchi, A.; Ferranti, F.; Pelizzi, G. | Structure of two encapsulated cobalt(III) complexes containing <i>cyclo</i>-triphosphate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1885 | 1892 | 10.1107/S0108270193004263 | 0.7107 | MoKα | null | 0.0581 | null | null | 0.0644 | null | null | null | null | 3.208 | 3.208 | null | null | null | has coordinates | Bacchi, A.; Ferranti, F.; Pelizzi, G.
Structure of two encapsulated cobalt(III) complexes containing <i>cyclo</i>-triphosphate
Acta Crystallographica Section C
49(11)
(1993)
1885-1892 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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7,205,686 | 12.4485 | 0.0007 | 12.3314 | 0.0006 | 17.4418 | 0.0009 | 90 | null | 94.389 | 0.001 | 90 | null | 2,669.6 | 0.2 | 185 | 2 | 185 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C28 H28 Cd N4 O4 - | - C28 H28 Cd N4 O4 - | - C112 H112 Cd4 N16 O16 - | 4 | 1 | Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie | Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals | CrystEngComm | 2,011 | 13 | 8 | 2935 | 10.1039/c0ce00662a | 0.71073 | MoKα | 0.067 | 0.0462 | null | null | 0.114 | 0.1266 | null | null | null | null | null | 1.035 | null | null | has coordinates | Su, Shengqun; Qin, Chao; Guo, Zhiyong; Guo, Huadong; Song, Shuyan; Deng, Ruiping; Cao, Feng; Wang, Song; Li, Guanghua; Zhang, Hongjie
Five three/two-fold interpenetrating architectures from self-assembly of fluorene-2,7-dicarboxylic acid derivatives and d10 metals
CrystEngComm
13(8)
(2011)
2935 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
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2,001,197 | 17.494 | 0.007 | 11.548 | 0.005 | 22.21 | 0.01 | 90 | null | 93.94 | 0.01 | 90 | null | 4,476 | 3 | 293 | null | 293 | null | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | [tris(aminoethylaminomethyl)amine](trisethylendiamine) dicobalt(III)di(cyclo-triphosphate)octahydrate | - C17.16 H65.24 Co2 N13.72 O26 P6 - | - C19 H70 Co2 N20 O29 P7 - | - C76 H280 Co8 N80 O116 P28 - | 4 | 1 | AL1051 | Bacchi, A.; Ferranti, F.; Pelizzi, G. | Structure of two encapsulated cobalt(III) complexes containing <i>cyclo</i>-triphosphate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1885 | 1892 | 10.1107/S0108270193004263 | 0.7107 | Mo/Kα | 0.1404 | 0.0654 | null | null | 0.2034 | null | null | null | 0.992 | 1.336 | 1.336 | null | null | null | has coordinates | Bacchi, A.; Ferranti, F.; Pelizzi, G.
Structure of two encapsulated cobalt(III) complexes containing <i>cyclo</i>-triphosphate
Acta Crystallographica Section C
49(11)
(1993)
1885-1892 | 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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2,001,198 | 7.321 | 0.006 | 12.79 | 0.001 | 22.822 | 0.003 | 90 | null | 90 | null | 90 | null | 2,137 | 1.8 | 290.5 | 1 | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C22 H28 Cr O4 S - | - C22 H28 Cr O4 S - | - C88 H112 Cr4 O16 S4 - | 4 | 1 | HL1032 | Clark, G. R.; Cambie, R. C.; King, M. D.; Rutledge, P. S.; Woodgate, P. D. | Structure of dicarbonyl[(8,9,11,12,13,14-η)-12,19-dimethoxypodocarpa-8,11,13-triene]thiocarbonylchromium(0) | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1892 | 1895 | 10.1107/S0108270193004172 | 0.71069 | MoKα | null | 0.0412 | null | null | 0.0333 | null | null | null | null | 1.13 | 1.13 | null | null | null | has coordinates | Clark, G. R.; Cambie, R. C.; King, M. D.; Rutledge, P. S.; Woodgate, P. D.
Structure of dicarbonyl[(8,9,11,12,13,14-η)-12,19-dimethoxypodocarpa-8,11,13-triene]thiocarbonylchromium(0)
Acta Crystallographica Section C
49(11)
(1993)
1892-1895 | 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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2,001,199 | 13.518 | 0.009 | 21.496 | 0.01 | 20.055 | 0.01 | 90 | null | 99.56 | 0.04 | 90 | null | 5,747 | 6 | 299 | 1 | 299 | 1 | null | null | null | null | 5 | C 1 c 1 | C -2yc | 9 | Ethylenediammonium catena-Poly[μ-(2-pyridinecarboxylato-κN,κO:κO')- -tris(pyridinecarboxylato-κN,κO)holmate] Hexahydrate | - C50 H54 Ho2 N10 O22 - | - C50 H45 Ho2 N10 O22 - | - C200 H180 Ho8 N40 O88 - | 4 | 1 | AB1068 | Starynowicz, P. | Structure of ethylenediammonium <i>catena</i>-poly[tris(2-pyridinecarboxylato-κ<i>N</i>,κ<i>O</i>)holmate-μ-2-pyridinecarboxylato-κ<i>N</i>,κ<i>O</i>:κ<i>O</i>']hexahydrate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1895 | 1897 | 10.1107/S0108270193004603 | 0.71069 | MoKα | null | 0.0308 | null | null | 0.0305 | null | null | null | null | null | null | null | null | null | has coordinates | Starynowicz, P.
Structure of ethylenediammonium <i>catena</i>-poly[tris(2-pyridinecarboxylato-κ<i>N</i>,κ<i>O</i>)holmate-μ-2-pyridinecarboxylato-κ<i>N</i>,κ<i>O</i>:κ<i>O</i>']hexahydrate
Acta Crystallographica Section C
49(11)
(1993)
1895-1897 | 191,092 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-30 15:37:53 +0200 (Mon, 30 Jan 2017) $
#$Revision: 191092 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/11/2001199.cif $
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7,205,685 | 6.9147 | 0.0005 | 36.1972 | 0.0011 | 9.4766 | 0.0008 | 90 | null | 92.126 | 0.003 | 90 | null | 2,370.3 | 0.3 | 120 | null | 120 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C27 H30 N2 O5 - | - C27 H30 N2 O5 - | - C108 H120 N8 O20 - | 4 | 2 | Khan, Mujeeb; Enkelmann, Volker; Brunklaus, Gunther | Heterosynthon mediated tailored synthesis of pharmaceutical complexes: a solid-state NMR approach | CrystEngComm | 2,011 | 13 | 9 | 3213 | 10.1039/c0ce00657b | 0.71073 | MoKα | 0.0749 | 0.0748 | null | 0.0816 | 0.0806 | 0.0806 | null | null | null | null | null | 0.94 | null | null | has coordinates | Khan, Mujeeb; Enkelmann, Volker; Brunklaus, Gunther
Heterosynthon mediated tailored synthesis of pharmaceutical complexes: a solid-state NMR approach
CrystEngComm
13(9)
(2011)
3213 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,001,200 | 8.684 | 0.002 | 10.1 | 0.002 | 10.109 | 0.003 | 71.55 | 0.02 | 85.42 | 0.02 | 73.97 | 0.02 | 808.3 | 0.4 | 298 | null | null | null | null | null | null | null | 5 | P 1 | P 1 | 1 | - C38 H33 Fe O2 P2 - | - C38 H33 Fe O2 P2 - | - C38 H33 Fe O2 P2 - | 1 | 1 | HH1031 | Shawkataly, O. B.; Khalil, H.; Fun, H.-K.; Chinnakali, K.; Teoh, S.-G.; Ito, Y.; Sawamura, M. | Structure of (<i>R</i>)-1-[(<i>S</i>)-1',2-bis(diphenylphosphino)ferrocenyl]ethyl acetate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1898 | 1900 | 10.1107/S0108270193003063 | 0.71069 | MoKα | null | 0.0483 | null | null | 0.0384 | null | null | null | null | 0.87 | 0.87 | null | null | null | has coordinates | Shawkataly, O. B.; Khalil, H.; Fun, H.-K.; Chinnakali, K.; Teoh, S.-G.; Ito, Y.; Sawamura, M.
Structure of (<i>R</i>)-1-[(<i>S</i>)-1',2-bis(diphenylphosphino)ferrocenyl]ethyl acetate
Acta Crystallographica Section C
49(11)
(1993)
1898-1900 | 278,201 | 2022-09-27 | 0:27:37 | #------------------------------------------------------------------------------
#$Date: 2022-09-27 03:27:33 +0300 (Tue, 27 Sep 2022) $
#$Revision: 278201 $
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2,001,201 | 10.539 | 0.002 | 11.902 | 0.002 | 9.714 | 0.002 | 96.301 | 0.006 | 108.962 | 0.005 | 75.234 | 0.004 | 1,113.8 | 0.4 | 298 | null | 298 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | Tetra-(tetramethylammonium) Octamolybdate Dihydrate | - C16 H52 Mo8 N4 O28 - | - C16 H52 Mo8 N4 O28 - | - C16 H52 Mo8 N4 O28 - | 1 | 0.5 | HH1072 | Harrison, W. T. A.; Stucky, G. D.; Gier, T. E. | Tetrakis(tetramethylammonium) octamolybdate dihydrate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1900 | 1902 | 10.1107/S0108270193004810 | 0.71073 | MoKα | null | 0.048 | null | null | 0.05 | null | null | null | null | null | null | null | null | null | has coordinates | Harrison, W. T. A.; Stucky, G. D.; Gier, T. E.
Tetrakis(tetramethylammonium) octamolybdate dihydrate
Acta Crystallographica Section C
49(11)
(1993)
1900-1902 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,202 | 11.176 | 0.002 | 11.879 | 0.002 | 14.026 | 0.002 | 96.39 | 0.01 | 92.84 | 0.01 | 112.8 | 0.01 | 1,697.2 | 0.5 | 295 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C21 H32 Cl2 Cu N12 O12 - | - C21 H23 Cl2 Cu N12 O12 - | - C42 H46 Cl4 Cu2 N24 O24 - | 2 | 1 | DU1025 | Salas, J.-M.; Romero, M.-A.; Enrique, C.; Sirera, R.; Faure, R. | Structure of diaquatris(5,7-dimethyl[1,2,4]triazolo[1,5-<i>a</i>]pyrimidine-<i>N</i>^3^)copper(II) perchlorate dihydrate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1902 | 1905 | 10.1107/S0108270193004196 | 0.7107 | MoKα | null | 0.054 | null | null | 0.062 | null | null | null | null | 1.6 | 1.6 | null | null | null | has coordinates | Salas, J.-M.; Romero, M.-A.; Enrique, C.; Sirera, R.; Faure, R.
Structure of diaquatris(5,7-dimethyl[1,2,4]triazolo[1,5-<i>a</i>]pyrimidine-<i>N</i>^3^)copper(II) perchlorate dihydrate
Acta Crystallographica Section C
49(11)
(1993)
1902-1905 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
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2,001,203 | 7.539 | 0.001 | 8.871 | 0.001 | 24.108 | 0.01 | 90 | null | 90 | null | 90 | null | 1,612.3 | 0.7 | 293 | null | null | null | null | null | null | null | 5 | P b n m | -P 2c 2ab | null | - C17 H18 N2 Ni O3 - | - C17 H18 N2 Ni O3 - | - C68 H72 N8 Ni4 O12 - | 4 | 0.5 | HA1026 | Elerman, Y.; Kabak, M.; Atakol, O. | An <i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediamine–nickel complex | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1905 | 1906 | 10.1107/S0108270193004615 | 0.7107 | MoKα | null | 0.048 | null | null | 0.045 | null | null | null | null | 1.11 | 1.11 | null | null | null | has coordinates | Elerman, Y.; Kabak, M.; Atakol, O.
An <i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-propanediamine–nickel complex
Acta Crystallographica Section C
49(11)
(1993)
1905-1906 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,001,204 | 10.452 | 0.003 | 11.664 | 0.004 | 15.641 | 0.004 | 94.37 | 0.02 | 89.75 | 0.02 | 111.87 | 0.02 | 1,763.9 | 0.9 | 293 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | Hexacarbonylbis(μ-dicyclohexylphosphanido)cobaltrhenium (Co-Re) | - C30.5 H46 Co O6.5 P2 Re - | - C31 H48 Co O7 P2 Re - | - C62 H96 Co2 O14 P4 Re2 - | 2 | 1 | SE1031 | Flörke, U.; Haupt, H.-J. | The first dinuclear cobalt–rhenium cluster compound: hexacarbonylbis(μ-dicyclohexylphosphanido)cobaltrhenium | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1906 | 1908 | 10.1107/S0108270193005013 | 0.71073 | MoKα | null | 0.038 | null | null | 0.034 | null | null | null | null | 1.583 | 1.583 | null | null | null | has coordinates | Flörke, U.; Haupt, H.-J.
The first dinuclear cobalt–rhenium cluster compound: hexacarbonylbis(μ-dicyclohexylphosphanido)cobaltrhenium
Acta Crystallographica Section C
49(11)
(1993)
1906-1908 | 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/2/00/12/2001204.cif $
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7,205,684 | 17.11 | 0.002 | 17.11 | 0.002 | 10.74 | 0.002 | 90 | null | 90 | null | 90 | null | 3,144.2 | 0.8 | 150 | 2 | 150 | 2 | null | null | null | null | 7 | I 41/a :2 | -I 4ad | 88 | - C6 H30 Co3 Mo4 N6 O28 P4 - | - C6 Co3 Mo4 N6 O28 P4 - | - C24 Co12 Mo16 N24 O112 P16 - | 4 | 0.25 | Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo | Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4 | CrystEngComm | 2,011 | 13 | 7 | 2479 | 10.1039/c0ce00639d | 0.71073 | MoKα | 0.0408 | 0.0358 | null | null | 0.0927 | 0.0951 | null | null | null | null | null | 1.144 | null | null | has coordinates | Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo
Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4
CrystEngComm
13(7)
(2011)
2479 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180387 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205684.cif $
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2,001,205 | 9.688 | 0.002 | 14.157 | 0.002 | 25.52 | 0.003 | 90 | null | 94.72 | 0.01 | 90 | null | 3,488.3 | 1 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C24 H48 Cu2 N12 S4 - | - C12 H24 Cu N6 S2 - | - C96 H192 Cu8 N48 S16 - | 8 | 2 | AS1033 | Tahirov, T. H.; Lu, T.-H.; Lan, W.-J.; Chung, C.-S. | Structure of isothiocyanato(1,4,7,11-tetraazacyclotetradecane)copper(II) thiocyanate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1908 | 1910 | 10.1107/S0108270193004226 | 0.7093 | MoKα | null | 0.044 | null | null | 0.05 | null | null | null | null | 1.38 | 1.38 | null | null | null | has coordinates | Tahirov, T. H.; Lu, T.-H.; Lan, W.-J.; Chung, C.-S.
Structure of isothiocyanato(1,4,7,11-tetraazacyclotetradecane)copper(II) thiocyanate
Acta Crystallographica Section C
49(11)
(1993)
1908-1910 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/12/2001205.cif $
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2,001,206 | 12.532 | 0.002 | 13 | 0.002 | 12.686 | 0.004 | 90 | null | 110.91 | 0.02 | 90 | null | 1,930.6 | 0.8 | 298 | 3 | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C12 H29 Cl3 Co N5 O4 - | - C12 H29 Cl3 Co N5 O4 - | - C48 H116 Cl12 Co4 N20 O16 - | 4 | 1 | AS1028 | Tahirov, T. H.; Lu, T.-H.; Chen, B.-H.; Lai, C.-Y.; Chung, C.-S. | Structure of <i>meso</i>-chloro(1,4,7,11,14-pentaazacycloheptadecane)cobalt(III) chloride perchlorate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1910 | 1912 | 10.1107/S0108270193004159 | 0.7093 | MoKα | null | 0.037 | null | null | 0.037 | null | null | null | null | 0.99 | 0.99 | null | null | null | has coordinates | Tahirov, T. H.; Lu, T.-H.; Chen, B.-H.; Lai, C.-Y.; Chung, C.-S.
Structure of <i>meso</i>-chloro(1,4,7,11,14-pentaazacycloheptadecane)cobalt(III) chloride perchlorate
Acta Crystallographica Section C
49(11)
(1993)
1910-1912 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
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2,001,207 | 7.185 | 0.005 | 9.552 | 0.003 | 16.742 | 0.003 | 90 | null | 90 | null | 90 | null | 1,149 | 0.9 | 298 | 3 | null | null | null | null | null | null | 6 | P 2 1 1 | P 2x | 3 | - C17 H36 Cl Co N4 O7 - | - C8.5 H18 Cl0.5 Co0.5 N2 O4.5 - | - C17 H36 Cl Co N4 O9 - | 2 | 1 | AS1029 | Lu, T.-H.; Chen, B.-H.; Chung, C.-S. | Structure of carbonato(<i>C</i>-<i>rac</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)cobalt(III) perchlorate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1912 | 1914 | 10.1107/S0108270193004160 | 0.7093 | MoKα | null | 0.064 | null | null | 0.081 | null | null | null | null | 1.04 | 1.04 | null | null | null | has coordinates | Lu, T.-H.; Chen, B.-H.; Chung, C.-S.
Structure of carbonato(<i>C</i>-<i>rac</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)cobalt(III) perchlorate
Acta Crystallographica Section C
49(11)
(1993)
1912-1914 | 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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2,001,208 | 16.012 | 0.002 | 8.7156 | 0.0011 | 19.13 | 0.003 | 90 | null | 90 | null | 90 | null | 2,669.7 | 0.6 | 296 | null | null | null | null | null | null | null | 6 | P b c n | -P 2n 2ab | 60 | - C16 H40 Ag Cl2 N4 O10 - | - C16 H40 Ag Cl2 N4 O10 - | - C64 H160 Ag4 Cl8 N16 O40 - | 4 | 0.5 | HH1059 | Po, H. N.; Shen, S.-C.; Doedens, R. J. | Structure of (<i>rac</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)silver(II) diperchlorate dihydrate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1914 | 1916 | 10.1107/S0108270193004342 | 0.71073 | MoKα | null | 0.0535 | null | null | 0.0729 | null | null | null | null | 2.51 | 2.51 | null | null | null | has coordinates | Po, H. N.; Shen, S.-C.; Doedens, R. J.
Structure of (<i>rac</i>-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)silver(II) diperchlorate dihydrate
Acta Crystallographica Section C
49(11)
(1993)
1914-1916 | 198,642 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-11 19:25:19 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198642 $
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7,205,683 | 12.578 | 0.003 | 15.148 | 0.003 | 16.389 | 0.003 | 95.96 | 0.03 | 110.13 | 0.03 | 102.95 | 0.03 | 2,800.9 | 1.3 | 150 | 2 | 150 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C28 H52 Cd Mo6 N8 O38 P4 - | - C28 H28 Cd Mo6 N8 O38 P4 - | - C56 H56 Cd2 Mo12 N16 O76 P8 - | 2 | 1 | Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo | Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4 | CrystEngComm | 2,011 | 13 | 7 | 2479 | 10.1039/c0ce00639d | 0.71073 | MoKα | 0.1406 | 0.0789 | null | null | 0.167 | 0.2061 | null | null | null | null | null | 1.058 | null | null | has coordinates | Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo
Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4
CrystEngComm
13(7)
(2011)
2479 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180387 $
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2,001,209 | 7.584 | 0.002 | 12.171 | 0.004 | 8.293 | 0.002 | 90 | null | 106.06 | 0.02 | 90 | null | 735.6 | 0.4 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C5 H7 Cl Hg O2 - | - C2.5 H3.5 Cl0.5 Hg0.5 O - | - C10 H14 Cl2 Hg2 O4 - | 4 | 2 | DU1042 | Toledano, P.; Bonhomme, C.; Henry, M.; Livage, J. | Structure d'un produit de mercuration de la 2,4-pentanedione, Hg(C~5~H~7~O~2~)Cl | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1916 | 1918 | 10.1107/S0108270193004482 | 0.71069 | MoKᾱ | null | 0.051 | null | null | 0.0601 | null | null | null | null | 3.75 | 3.75 | null | null | null | has coordinates | Toledano, P.; Bonhomme, C.; Henry, M.; Livage, J.
Structure d'un produit de mercuration de la 2,4-pentanedione, Hg(C~5~H~7~O~2~)Cl
Acta Crystallographica Section C
49(11)
(1993)
1916-1918 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,001,210 | 7.4764 | 0.0005 | 14.938 | 0.0007 | 9.7315 | 0.0003 | 90 | null | 110.022 | 0.004 | 90 | null | 1,021.15 | 0.09 | 293 | null | null | null | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | - C16 H22 N4 Ni O7 S2 - | - C16 H22 N4 Ni O7 S2 - | - C32 H44 N8 Ni2 O14 S4 - | 2 | 1 | SH1041 | Bermejo, E.; Castiñeiras, A.; Domínguez, R.; Strähle, J.; Hiller, W. | Aqua[1,8-di(2-pyridyl)-3,6-dithiaoctane-<i>N</i>,<i>N</i>',<i>S</i>,<i>S</i>'](nitrato-<i>O</i>)nickel(II) nitrate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1918 | 1920 | 10.1107/S010827019300352X | 0.7093 | MoKα | null | 0.031 | null | null | 0.034 | null | null | null | null | 0.74 | 0.74 | null | null | null | has coordinates | Bermejo, E.; Castiñeiras, A.; Domínguez, R.; Strähle, J.; Hiller, W.
Aqua[1,8-di(2-pyridyl)-3,6-dithiaoctane-<i>N</i>,<i>N</i>',<i>S</i>,<i>S</i>'](nitrato-<i>O</i>)nickel(II) nitrate
Acta Crystallographica Section C
49(11)
(1993)
1918-1920 | 205,898 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $
#$Revision: 205898 $
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2,001,211 | 7.404 | 0.001 | 10.006 | 0.001 | 10.093 | 0.001 | 90.28 | 0.01 | 97.68 | 0.01 | 91.77 | 0.01 | 740.64 | 0.15 | 292 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C28 H16 Cu2 F8 O10 - | - C28 H16 Cu2 F8 O10 - | - C28 H16 Cu2 F8 O10 - | 1 | 0.5 | CR1050 | Karipides, A.; White, C. | Structure of diaquatetrakis(μ-2,6-difluorobenzoato-κ<i>O</i>:κ<i>O</i>')dicopper(II) | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1920 | 1923 | 10.1107/S0108270193004214 | 0.71073 | MoKα | null | 0.041 | null | null | 0.042 | null | null | null | null | 1.15 | 1.15 | null | null | null | has coordinates | Karipides, A.; White, C.
Structure of diaquatetrakis(μ-2,6-difluorobenzoato-κ<i>O</i>:κ<i>O</i>')dicopper(II)
Acta Crystallographica Section C
49(11)
(1993)
1920-1923 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,212 | 15.96 | 0.001 | 12.447 | 0.001 | 17.044 | 0.001 | 90 | null | 90 | null | 90 | null | 3,385.9 | 0.4 | 293 | null | null | null | null | null | null | null | 6 | P n a 21 | P 2c -2n | null | - C30 H33 B N6 O3 V - | - C32 H36 B N7 O3 V - | - C128 H144 B4 N28 O12 V4 - | 4 | 1 | AL1033 | Beddoes, R. L.; Eardley, D. R.; Mabbs, F. E.; Moorcroft, D.; Passand, M. A. | Isostructural mixed ligand complexes of [VO]^2+^ and [InCl]^2+^ with hydrotris(3,5-dimethylpyrazolyl)borato and 1,3-diphenyl-1,3-propanedionato ligands | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1923 | 1926 | 10.1107/S0108270193004949 | 0.71069 | MoKα | null | 0.074 | null | null | 0.084 | null | null | null | null | 1.07 | 1.07 | null | null | null | has coordinates | Beddoes, R. L.; Eardley, D. R.; Mabbs, F. E.; Moorcroft, D.; Passand, M. A.
Isostructural mixed ligand complexes of [VO]^2+^ and [InCl]^2+^ with hydrotris(3,5-dimethylpyrazolyl)borato and 1,3-diphenyl-1,3-propanedionato ligands
Acta Crystallographica Section C
49(11)
(1993)
1923-1926 | 194,481 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-03-24 18:57:08 +0200 (Fri, 24 Mar 2017) $
#$Revision: 194481 $
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7,205,682 | 11.467 | 0.002 | 12.372 | 0.003 | 16.851 | 0.003 | 70.23 | 0.03 | 81.19 | 0.03 | 88.27 | 0.03 | 2,222.6 | 0.9 | 150 | 2 | 150 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C56 H74 Mo10 N16 Na2 O50 P4 - | - C56 H56 Mo10 N16 Na2 O50 P4 - | - C56 H56 Mo10 N16 Na2 O50 P4 - | 1 | 0.5 | Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo | Controllable self-assembly of four new metal–organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4 | CrystEngComm | 2,011 | 13 | 7 | 2479 | 10.1039/c0ce00639d | 0.71073 | MoKα | 0.0703 | 0.0478 | null | null | 0.1225 | 0.1408 | null | null | null | null | null | 1.088 | null | null | has coordinates | Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo
Controllable self-assembly of four new metal–organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4
CrystEngComm
13(7)
(2011)
2479 | 291,143 | 2024-04-09 | 8:49:14 | #------------------------------------------------------------------------------
#$Date: 2024-04-09 11:47:00 +0300 (Tue, 09 Apr 2024) $
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2,001,213 | 8.169 | 0.002 | 19.599 | 0.007 | 10.737 | 0.003 | 90 | null | 99.18 | 0.02 | 90 | null | 1,697 | 0.9 | 293 | null | null | null | null | null | null | null | 7 | P 1 21 1 | P 2yb | 4 | - C32 H36 B Cl In N7 O2 - | - C32 H36 B Cl In N7 O2 - | - C64 H72 B2 Cl2 In2 N14 O4 - | 2 | 1 | AL1033 | Beddoes, R. L.; Eardley, D. R.; Mabbs, F. E.; Moorcroft, D.; Passand, M. A. | Isostructural mixed ligand complexes of [VO]^2+^ and [InCl]^2+^ with hydrotris(3,5-dimethylpyrazolyl)borato and 1,3-diphenyl-1,3-propanedionato ligands | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1923 | 1926 | 10.1107/S0108270193004949 | 0.71069 | MoKα | null | 0.034 | null | null | 0.043 | null | null | null | null | 1.01 | 1.01 | null | null | null | has coordinates | Beddoes, R. L.; Eardley, D. R.; Mabbs, F. E.; Moorcroft, D.; Passand, M. A.
Isostructural mixed ligand complexes of [VO]^2+^ and [InCl]^2+^ with hydrotris(3,5-dimethylpyrazolyl)borato and 1,3-diphenyl-1,3-propanedionato ligands
Acta Crystallographica Section C
49(11)
(1993)
1923-1926 | 205,898 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $
#$Revision: 205898 $
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2,001,214 | 33.673 | 0.004 | 12.275 | 0.002 | 23.057 | 0.003 | 90 | null | 97.828 | 0.002 | 90 | null | 9,441 | 2 | 298 | null | null | null | null | null | null | null | 6 | I 1 2/c 1 | -I 2yc | null | - C38 H24 Au2 O12 P2 Ru4 - | - C38 H24 Au2 O12 P2 Ru4 - | - C304 H192 Au16 O96 P16 Ru32 - | 8 | 1 | AL0555 | Adatia, T. | Structure of the heteronuclear cluster [Au~2~Ru~4~(μ~3~-H)(μ-H)(μ-Ph~2~PC=CHPPh~2~)(CO)~12~] | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1926 | 1929 | 10.1107/S0108270193006432 | 0.71069 | MoKα | null | 0.0603 | null | null | 0.0605 | null | null | null | null | 1.723 | 1.723 | null | null | null | has coordinates | Adatia, T.
Structure of the heteronuclear cluster [Au~2~Ru~4~(μ~3~-H)(μ-H)(μ-Ph~2~PC=CHPPh~2~)(CO)~12~]
Acta Crystallographica Section C
49(11)
(1993)
1926-1929 | 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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2,001,215 | 15.156 | 0.002 | 17.34 | 0.003 | 13.472 | 0.002 | 90 | null | 90 | null | 90 | null | 3,540.5 | 0.9 | 295 | null | null | null | null | null | null | null | 7 | P n m a | -P 2ac 2n | 62 | - C15 H40 Cl Cr3 N6 O18 S3 - | - C15 H43 Cl Cr3 N8 O18 S3 - | - C60 H172 Cl4 Cr12 N32 O72 S12 - | 4 | 0.5 | AL1037 | Karu, E.; Anson, C. E.; Cannon, R. D.; Jayasooriya, U. A.; Powell, A. K. | Structure of [Cr~3~O(OOCCH~3~)~6~(OH~2~)~3~]Cl.3[SC(NH~2~)~2~].2H~2~O | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1929 | 1932 | 10.1107/S0108270193004548 | 0.71069 | MoKα | null | 0.0513 | null | null | 0.0447 | null | null | null | null | 2.62 | 2.62 | null | null | null | has coordinates | Karu, E.; Anson, C. E.; Cannon, R. D.; Jayasooriya, U. A.; Powell, A. K.
Structure of [Cr~3~O(OOCCH~3~)~6~(OH~2~)~3~]Cl.3[SC(NH~2~)~2~].2H~2~O
Acta Crystallographica Section C
49(11)
(1993)
1929-1932 | 278,244 | 2022-09-28 | 13:56:22 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278244 $
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2,001,216 | 5.1 | 0.002 | 10.051 | 0.004 | 16.453 | 0.007 | 90 | null | 94.82 | 0.05 | 90 | null | 840.4 | 0.6 | 293 | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C16 H17 Cu N5 O3 - | - C16 H17 Cu N5 O3 - | - C32 H34 Cu2 N10 O6 - | 2 | 1 | DU1037 | Kettmann, V.; Frešová, E.; Bláhová, M.; Krätsmár-Šmogrovič, J. | Structure of (pyrazole-κ<i>N</i>^2^)[(<i>S</i>)-<i>N</i>-salicylidene-κ<i>O</i>-alaninato(2–)-κ<i>N</i>,κ<i>O</i>]copper(II)–pyrazole (1/1) | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1932 | 1934 | 10.1107/S0108270193003476 | 0.71069 | MoKα | null | 0.041 | null | null | 0.059 | null | null | null | null | 1.36 | 1.36 | null | null | null | has coordinates | Kettmann, V.; Frešová, E.; Bláhová, M.; Krätsmár-Šmogrovič, J.
Structure of (pyrazole-κ<i>N</i>^2^)[(<i>S</i>)-<i>N</i>-salicylidene-κ<i>O</i>-alaninato(2–)-κ<i>N</i>,κ<i>O</i>]copper(II)–pyrazole (1/1)
Acta Crystallographica Section C
49(11)
(1993)
1932-1934 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$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/2/00/12/2001216.cif $
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7,205,681 | 22.841 | 0.003 | 22.841 | 0.003 | 15.503 | 0.003 | 90 | null | 90 | null | 90 | null | 8,088 | 2 | 150 | 2 | 150 | 2 | null | null | null | null | 8 | I 41/a :2 | -I 4ad | 88 | - C56 H57 Co Mo8 N16 O42 P V6 - | - C56 H56 Co Mo8 N16 O42 P V6 - | - C224 H224 Co4 Mo32 N64 O168 P4 V24 - | 4 | 0.25 | Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo | Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4 | CrystEngComm | 2,011 | 13 | 7 | 2479 | 10.1039/c0ce00639d | 0.71073 | MoKα | 0.0358 | 0.0293 | null | null | 0.0779 | 0.0811 | null | null | null | null | null | 1.061 | null | null | has coordinates | Meng, Jing-Xin; Lu, Ying; Li, Yang-Guang; Fu, Hai; Wang, En-Bo
Controllable self-assembly of four new metal‒organic frameworks based on different phosphomolybdate clusters by altering the molar ratio of H3PO4 and Na2MoO4
CrystEngComm
13(7)
(2011)
2479 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180387 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205681.cif $
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2,001,217 | 9.165 | 0.002 | 19.473 | 0.004 | 15.482 | 0.004 | 90 | null | 97.51 | 0.02 | 90 | null | 2,739.4 | 1.1 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C20 H27 O9 Os3 P - | - C20 H26 O9 Os3 P - | - C80 H104 O36 Os12 P4 - | 4 | 1 | HA1037 | Farrugia, L. J. | Structure of the ethylidene cluster Os~3~(μ-H)~2~(μ-CHCH~3~)(CO)~9~(P^<i>i^</i>Pr~3~) | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1934 | 1936 | 10.1107/S0108270193001933 | 0.71069 | MoKα | null | 0.032 | null | null | 0.035 | null | null | null | null | 1.49 | 1.49 | null | null | null | has coordinates | Farrugia, L. J.
Structure of the ethylidene cluster Os~3~(μ-H)~2~(μ-CHCH~3~)(CO)~9~(P^<i>i^</i>Pr~3~)
Acta Crystallographica Section C
49(11)
(1993)
1934-1936 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
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2,001,218 | 10.941 | 0.005 | 14.585 | 0.004 | 21.201 | 0.005 | 90 | null | 90.83 | 0.03 | 90 | null | 3,383 | 2 | 293 | null | null | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C42 H38 Br14 Mo6 O2 P2 S8 - | - C42 H38 Br14 Mo6 O2 P2 S8 - | - C84 H76 Br28 Mo12 O4 P4 S16 - | 2 | 0.5 | DU1039 | Jarchow, S.; Fourmigué, M.; Batail, P. | Electrooxidation of the redox tertiary phosphine 4-(diphenylphosphino)-4',5,5'-trimethyltetrathiafulvalene (<i>P</i>~1~) and the structure of (<i>P</i>~1~O^.+^)~2~Mo~6~Br~14~^2{-^} | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1936 | 1939 | 10.1107/S0108270193003671 | 0.71069 | MoKα | null | 0.045 | null | null | 0.051 | null | null | null | null | 1.63 | 1.63 | null | null | null | has coordinates | Jarchow, S.; Fourmigué, M.; Batail, P.
Electrooxidation of the redox tertiary phosphine 4-(diphenylphosphino)-4',5,5'-trimethyltetrathiafulvalene (<i>P</i>~1~) and the structure of (<i>P</i>~1~O^.+^)~2~Mo~6~Br~14~^2{-^}
Acta Crystallographica Section C
49(11)
(1993)
1936-1939 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
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2,001,219 | 9.247 | 0.002 | 16.052 | 0.006 | 12.683 | 0.003 | 90 | null | 90 | null | 90 | null | 1,882.6 | 0.9 | 300 | 2 | null | null | null | null | null | null | 5 | P m c n | P 2n -2a | null | - C8 H24 Br4 Co N2 - | - C16 Br8 Co N2 - | - C64 Br32 Co4 N8 - | 4 | 0.5 | OH1026 | Nishihata, Y.; Sawada, A.; Kasatani, H.; Terauchi, H. | Structure of tetramethylammonium tetrabromocobaltate at room temperature | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1939 | 1941 | 10.1107/S0108270193004937 | 0.71069 | MoKα | null | 0.0605 | null | null | 0.0465 | null | null | null | null | 1.323 | 1.323 | null | null | null | has coordinates | Nishihata, Y.; Sawada, A.; Kasatani, H.; Terauchi, H.
Structure of tetramethylammonium tetrabromocobaltate at room temperature
Acta Crystallographica Section C
49(11)
(1993)
1939-1941 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,220 | 7.453 | 0.002 | 17.238 | 0.004 | 8.139 | 0.002 | 90 | null | 106.4 | null | 90 | null | 1,003.1 | 0.4 | 293 | 1.5 | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C12 H20 N4 O10 U - | - C12 H22 N4 O10 U - | - C24 H44 N8 O20 U2 - | 2 | 0.5 | AL1002 | Cao, Z.; Wang, H.; Gu, J.; Zhu, L.; Yu, K. | Structure of bis({εpsilon}-caprolactam)dinitratodioxouranium(VI) | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1942 | 1943 | 10.1107/S0108270193004536 | 0.71073 | graphite-monochromatizedMoKα | null | 0.034 | null | null | 0.0288 | null | null | null | null | 1.171 | 1.171 | null | null | null | has coordinates | Cao, Z.; Wang, H.; Gu, J.; Zhu, L.; Yu, K.
Structure of bis({εpsilon}-caprolactam)dinitratodioxouranium(VI)
Acta Crystallographica Section C
49(11)
(1993)
1942-1943 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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7,205,680 | 16.263 | 0.003 | 7.3876 | 0.0015 | 13.645 | 0.003 | 90 | null | 99.33 | 0.03 | 90 | null | 1,617.7 | 0.6 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C10 H10 Cl6 Cu N2 - | - C10 H10 Cl6 Cu N2 - | - C40 H40 Cl24 Cu4 N8 - | 4 | 0.5 | Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee | Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions | CrystEngComm | 2,011 | 13 | 9 | 3189 | 10.1039/c0ce00628a | 0.71073 | MoKα | 0.0267 | 0.0238 | null | null | 0.0643 | 0.0654 | null | null | null | null | null | 1.066 | null | null | has coordinates | Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee
Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions
CrystEngComm
13(9)
(2011)
3189 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
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2,001,221 | 10.192 | 0.006 | 10.695 | 0.009 | 19.501 | 0.009 | 90 | null | 99.38 | 0.04 | 90 | null | 2,097 | 2 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C23 H20 Cl N S Sn - | - C23 H20 Cl N S Sn - | - C92 H80 Cl4 N4 S4 Sn4 - | 4 | 1 | KA1027 | Kellö, E.; Vrábel, V.; Lyčka, A.; Sivý, J. | Structure of dibenzylchlorotin(IV) thiooxinate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1943 | 1945 | 10.1107/S0108270193003154 | 0.71069 | MoKα | null | 0.046 | null | null | 0.048 | null | null | null | null | 0.925 | 0.925 | null | null | null | has coordinates | Kellö, E.; Vrábel, V.; Lyčka, A.; Sivý, J.
Structure of dibenzylchlorotin(IV) thiooxinate
Acta Crystallographica Section C
49(11)
(1993)
1943-1945 | 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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2,001,222 | 10.584 | 0.004 | 10.264 | 0.004 | 18.064 | 0.006 | 90 | null | 101.14 | 0.03 | 90 | null | 1,925.4 | 1.2 | 296 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C38 H44 Mn2 N4 O8 S2 - | - C19 H22 Mn N2 O4 S - | - C38 H44 Mn2 N4 O8 S2 - | 2 | 1 | LI1030 | Aurangzeb, N.; McAuliffe, C. A.; Pritchard, R. G.; Watkinson, M.; Bermejo, M. R.; Garcia-Deibe, A.; Sousa, A. | Facile synthesis and structure of the Mn^IV^‒Mn^IV^ dinuclear complex [Mn(salpn)O]~2~(DMSO)~2~ [salpnH~2~ = <i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-diaminopropane] | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1945 | 1947 | 10.1107/S010827019201326X | 0.71069 | MoKα | null | 0.063 | null | null | 0.079 | null | null | null | null | 2.88 | 2.88 | null | null | null | has coordinates | Aurangzeb, N.; McAuliffe, C. A.; Pritchard, R. G.; Watkinson, M.; Bermejo, M. R.; Garcia-Deibe, A.; Sousa, A.
Facile synthesis and structure of the Mn^IV^‒Mn^IV^ dinuclear complex [Mn(salpn)O]~2~(DMSO)~2~ [salpnH~2~ = <i>N</i>,<i>N</i>'-bis(salicylidene)-1,3-diaminopropane]
Acta Crystallographica Section C
49(11)
(1993... | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,001,223 | 8.449 | 0.001 | 12.66 | 0.002 | 11.25 | 0.003 | 90 | null | 94.05 | 0.02 | 90 | null | 1,200.3 | 0.4 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C13 H12 Cl N O2 - | - C13 H12 Cl N O2 - | - C52 H48 Cl4 N4 O8 - | 4 | 1 | LI1045 | Ondráček, J.; Kovářová, Z.; Maixner, J.; Jursık, F. | Structure of <i>o</i>-(salicylideneamino)phenol hydrochloride | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1948 | 1949 | 10.1107/S0108270193004081 | 0.71073 | MoKα | null | 0.033 | null | null | 0.033 | null | null | null | null | 0.67 | 0.67 | null | null | null | has coordinates | Ondráček, J.; Kovářová, Z.; Maixner, J.; Jursık, F.
Structure of <i>o</i>-(salicylideneamino)phenol hydrochloride
Acta Crystallographica Section C
49(11)
(1993)
1948-1949 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,224 | 6.806 | 0.003 | 34.693 | 0.004 | 7.678 | 0.002 | 90 | null | 90 | null | 90 | null | 1,812.9 | 1 | 191 | null | null | null | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | - C28 H16 O - | - C28 H14 O - | - C112 H56 O4 - | 4 | 0.5 | ST1052 | Fitzgerald, L. J.; Gerkin, R. E.; Wei, G. P.; Rawal, V. H. | Structure of diphenanthro[1,2-<i>b</i>;2',1'-<i>d</i>]furan at 191 K | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1949 | 1952 | 10.1107/S0108270193003609 | 0.71073 | MoKα | null | 0.047 | null | null | 0.049 | null | null | null | null | 1.59 | 1.59 | null | null | null | has coordinates | Fitzgerald, L. J.; Gerkin, R. E.; Wei, G. P.; Rawal, V. H.
Structure of diphenanthro[1,2-<i>b</i>;2',1'-<i>d</i>]furan at 191 K
Acta Crystallographica Section C
49(11)
(1993)
1949-1952 | 278,244 | 2022-09-28 | 13:56:22 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278244 $
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7,205,679 | 7.578 | 0.0015 | 27.411 | 0.006 | 8.7224 | 0.0017 | 90 | null | 115.57 | 0.03 | 90 | null | 1,634.4 | 0.7 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C10 H10 Cl6 Cu N2 - | - C10 H10 Cl6 Cu N2 - | - C40 H40 Cl24 Cu4 N8 - | 4 | 1 | Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee | Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions | CrystEngComm | 2,011 | 13 | 9 | 3189 | 10.1039/c0ce00628a | 0.71073 | MoKα | 0.0361 | 0.0286 | null | null | 0.0672 | 0.0695 | null | null | null | null | null | 1.042 | null | null | has coordinates | Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee
Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions
CrystEngComm
13(9)
(2011)
3189 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
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2,001,225 | 6.906 | 0.003 | 3.842 | 0.005 | 30.958 | 0.003 | 90 | null | 92.04 | 0.02 | 90 | null | 820.9 | 1.1 | 296 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | - C11 H8 O2 - | - C11 H8 O2 - | - C44 H32 O8 - | 4 | 1 | ST1051 | Fitzgerald, L. J.; Gerkin, R. E. | Redetermination of the structures of 1-naphthoic acid and 2-naphthoic acid | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1952 | 1958 | 10.1107/S0108270193002641 | 0.71073 | MoKα | null | 0.046 | null | null | 0.055 | null | null | null | null | 1.93 | 1.93 | null | null | null | has coordinates | Fitzgerald, L. J.; Gerkin, R. E.
Redetermination of the structures of 1-naphthoic acid and 2-naphthoic acid
Acta Crystallographica Section C
49(11)
(1993)
1952-1958 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,226 | 5.619 | 0.002 | 4.957 | 0.003 | 30.419 | 0.003 | 90 | null | 92.38 | 0.03 | 90 | null | 846.5 | 0.6 | 296 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C11 H8 O2 - | - C11 H9 O2 - | - C44 H36 O8 - | 4 | 1 | ST1051 | Fitzgerald, L. J.; Gerkin, R. E. | Redetermination of the structures of 1-naphthoic acid and 2-naphthoic acid | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1952 | 1958 | 10.1107/S0108270193002641 | 0.71073 | MoKα | null | 0.041 | null | null | 0.055 | null | null | null | null | 1.99 | 1.99 | null | null | null | has coordinates | Fitzgerald, L. J.; Gerkin, R. E.
Redetermination of the structures of 1-naphthoic acid and 2-naphthoic acid
Acta Crystallographica Section C
49(11)
(1993)
1952-1958 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
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2,001,227 | 5.116 | 0.001 | 10.572 | 0.002 | 28.87 | 0.01 | 90 | null | 90 | null | 90 | null | 1,561.5 | 0.7 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (+)-6-[(4-chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl]-1-methyl-1H- benzotriazole | - C16 H13 Cl N6 - | - C16 H13 Cl N6 - | - C64 H52 Cl4 N24 - | 4 | 1 | NA1038 | Peeters, O. M.; Schuerman, G. S.; Blaton, N. M.; De Ranter, C. J. | Structure and absolute configuration of (+)-6-[(4-chlorophenyl)(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1-methyl-1<i>H</i>-benzotriazole (vorozole) and its hydrobromide monohydrate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1958 | 1961 | 10.1107/S0108270193004792 | 1.54184 | CuKα | 0.0861 | 0.05 | null | 0.2802 | 0.0628 | null | null | null | null | 1.44 | 1.44 | null | null | null | has coordinates | Peeters, O. M.; Schuerman, G. S.; Blaton, N. M.; De Ranter, C. J.
Structure and absolute configuration of (+)-6-[(4-chlorophenyl)(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1-methyl-1<i>H</i>-benzotriazole (vorozole) and its hydrobromide monohydrate
Acta Crystallographica Section C
49(11)
(1993)
1958-1961 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$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/2/00/12/2001227.cif $
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2,001,228 | 6.008 | 0.003 | 8.401 | 0.004 | 35.92 | 0.02 | 90 | null | 90 | null | 90 | null | 1,813 | 1.6 | 293 | null | 293 | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | (+)-6-[(4-Chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl]-1-methyl-1H- benzotriazole Hydrobromide Monohydrate | - C16 H16 Br Cl N6 O - | - C16 H16 Br Cl N6 O - | - C64 H64 Br4 Cl4 N24 O4 - | 4 | 1 | NA1038 | Peeters, O. M.; Schuerman, G. S.; Blaton, N. M.; De Ranter, C. J. | Structure and absolute configuration of (+)-6-[(4-chlorophenyl)(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1-methyl-1<i>H</i>-benzotriazole (vorozole) and its hydrobromide monohydrate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1958 | 1961 | 10.1107/S0108270193004792 | 0.71073 | MoKα | 0.0617 | 0.036 | null | 0.0484 | 0.0451 | null | null | null | null | 1.57 | 1.57 | null | null | null | has coordinates | Peeters, O. M.; Schuerman, G. S.; Blaton, N. M.; De Ranter, C. J.
Structure and absolute configuration of (+)-6-[(4-chlorophenyl)(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1-methyl-1<i>H</i>-benzotriazole (vorozole) and its hydrobromide monohydrate
Acta Crystallographica Section C
49(11)
(1993)
1958-1961 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,678 | 7.5585 | 0.0004 | 27.376 | 0.0013 | 8.7184 | 0.0004 | 90 | null | 115.492 | 0.002 | 90 | null | 1,628.39 | 0.14 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C10 H10 Cl6 Cu N2 - | - C10 H10 Cl6 Cu N2 - | - C40 H40 Cl24 Cu4 N8 - | 4 | 1 | Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee | Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions | CrystEngComm | 2,011 | 13 | 9 | 3189 | 10.1039/c0ce00628a | 0.71073 | MoKα | 0.0191 | 0.0176 | null | null | 0.0415 | 0.042 | null | null | null | null | null | 1.056 | null | null | has coordinates | Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee
Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions
CrystEngComm
13(9)
(2011)
3189 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180387 $
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2,001,229 | 7.3416 | 0.0008 | 10.3924 | 0.0008 | 21.509 | 0.002 | 90 | null | 90 | null | 90 | null | 1,641.1 | 0.3 | 293 | null | 293 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | (-)-α-[(2-acetyl-5-methylphenyl)amino]-2,6-dichlorobenzeneacetamide | - C17 H16 Cl2 N2 O2 - | - C17 H16 Cl2 N2 O2 - | - C68 H64 Cl8 N8 O8 - | 4 | 1 | NA1041 | Peeters, O. M.; Blaton, N. M.; De Ranter, C. J. | Structure and absolute configuration of (–)-α-[(2-acetyl-5-methylphenyl)amino]-2,6-dichlorobenzeneacetamide | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1961 | 1963 | 10.1107/S0108270193004780 | 1.54184 | CuKα | 0.0334 | 0.0333 | null | 0.0775 | 0.0575 | null | null | null | null | 0.94 | 0.94 | null | null | null | has coordinates | Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.
Structure and absolute configuration of (–)-α-[(2-acetyl-5-methylphenyl)amino]-2,6-dichlorobenzeneacetamide
Acta Crystallographica Section C
49(11)
(1993)
1961-1963 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,230 | 10.472 | 0.005 | 11.279 | 0.006 | 16.358 | 0.008 | 90 | null | 104.45 | 0.04 | 90 | null | 1,871 | 1.7 | 298 | null | null | null | null | null | null | null | 2 | P 1 21/n 1 | -P 2yn | 14 | - C28 H22 - | - C28 H22 - | - C112 H88 - | 4 | 1 | HH1050 | Jedrzejas, M. J.; Kingu, C. S.; Baker, R. J.; Towns, R. L. R.; Masnovi, J. | Structure of <i>syn</i>-7,8-benzo-9,10-(9',10'-phenanthro)tricyclo[4.2.2.2^2,5^]dodeca-3,7,9-triene | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1963 | 1965 | 10.1107/S0108270193004330 | 0.70926 | MoKα | null | 0.053 | null | null | 0.061 | null | null | null | null | 1.735 | 1.735 | null | null | null | has coordinates | Jedrzejas, M. J.; Kingu, C. S.; Baker, R. J.; Towns, R. L. R.; Masnovi, J.
Structure of <i>syn</i>-7,8-benzo-9,10-(9',10'-phenanthro)tricyclo[4.2.2.2^2,5^]dodeca-3,7,9-triene
Acta Crystallographica Section C
49(11)
(1993)
1963-1965 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,231 | 9.094 | 0.002 | 9.078 | 0.002 | 6.967 | 0.002 | 101.25 | 0.02 | 106.99 | 0.02 | 76.48 | 0.02 | 529.8 | 0.2 | 23 | null | 23 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C13 H13 N O2 - | - C13 H13 N O2 - | - C26 H26 N2 O4 - | 2 | 1 | CD1036 | Jasinski, J. P.; Woudenberg, R. C. | 6,7,8,9-Tetrahydro-4-methyl-2<i>H</i>-pyrano[3,2-<i>g</i>]quinolin-2-one | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1965 | 1967 | 10.1107/S0108270193004974 | 0.7107 | MoKα | null | 0.0612 | null | null | 0.0707 | null | null | null | null | 2.749 | 2.749 | null | null | null | has coordinates | Jasinski, J. P.; Woudenberg, R. C.
6,7,8,9-Tetrahydro-4-methyl-2<i>H</i>-pyrano[3,2-<i>g</i>]quinolin-2-one
Acta Crystallographica Section C
49(11)
(1993)
1965-1967 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,232 | 13.146 | 0.001 | 8.917 | 0.001 | 12.829 | 0.001 | 90 | null | 98.89 | 0.01 | 90 | null | 1,485.8 | 0.2 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C17 H21 N O2 - | - C19 H29 N O2 - | - C76 H116 N4 O8 - | 4 | 1 | KA1024 | Kapor, A.; Stájer, G.; Bernáth, G. | Structure of 2-(2-hydroxyethyl)-1-<i>p</i>-tolyl-4,5,6,7-tetrahydro-3(1<i>H</i>)-isoindolone | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1967 | 1969 | 10.1107/S0108270193004238 | 1.5418 | CuKα | null | 0.044 | null | null | 0.046 | null | null | null | null | 2.24 | 2.24 | null | null | null | has coordinates | Kapor, A.; Stájer, G.; Bernáth, G.
Structure of 2-(2-hydroxyethyl)-1-<i>p</i>-tolyl-4,5,6,7-tetrahydro-3(1<i>H</i>)-isoindolone
Acta Crystallographica Section C
49(11)
(1993)
1967-1969 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,205,677 | 3.787 | 0.003 | 7.549 | 0.005 | 11.992 | 0.008 | 74.198 | 0.008 | 88.428 | 0.007 | 85.816 | 0.007 | 329 | 0.4 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C10 H8 Cl4 Cu N2 - | - C10 H8 Cl4 Cu N2 - | - C10 H8 Cl4 Cu N2 - | 1 | 0.5 | Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee | Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions | CrystEngComm | 2,011 | 13 | 9 | 3189 | 10.1039/c0ce00628a | 0.6998 | 0.1625 | 0.1111 | null | null | 0.2526 | 0.2743 | null | null | null | null | null | 1.168 | null | null | has coordinates | Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee
Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions
CrystEngComm
13(9)
(2011)
3189 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,233 | 10.851 | 0.002 | 14.057 | 0.002 | 11.35 | 0.002 | 90 | null | 114.8 | 0.01 | 90 | null | 1,571.6 | 0.5 | 253 | null | 253 | null | null | null | null | null | 4 | I 1 a 1 | I -2ya | 9 | 1,3,5-triisopropyl-2-nitrobenzene | - C15 H23 N O2 - | - C15 H23 N O2 - | - C60 H92 N4 O8 - | 4 | 1 | SH1053 | De Ridder, D. J. A.; Schenk, H.; Döpp, D. | Structure of 1,3,5-triisopropyl-2-nitrobenzene | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1970 | 1971 | 10.1107/S0108270193004913 | 1.5418 | CuKα | 0.074 | 0.074 | null | 0.096 | 0.096 | null | null | null | 0.284 | 0.284 | 0.284 | null | null | null | has coordinates | De Ridder, D. J. A.; Schenk, H.; Döpp, D.
Structure of 1,3,5-triisopropyl-2-nitrobenzene
Acta Crystallographica Section C
49(11)
(1993)
1970-1971 | 198,721 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,234 | 10.974 | 0.002 | 11.892 | 0.001 | 19.952 | 0.003 | 90 | null | 90 | null | 90 | null | 2,603.8 | 0.7 | 293 | null | 293 | null | null | null | null | null | 4 | P c a b | -P 2bc 2ac | 61 | 6-tert-butyl-3,3-dimethyl-3H-indol-1-oxide | - C14 H19 N O - | - C14 H19 N O - | - C112 H152 N8 O8 - | 8 | 1 | SH1054 | De Ridder, D. J. A.; Schenk, H.; Döpp, D. | Structure of 6-<i>tert</i>-butyl-3,3-dimethyl-3<i>H</i>-indolium-1-oxide | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1971 | 1973 | 10.1107/S0108270193004925 | 1.5418 | CopperKα | 0.082 | 0.082 | null | 0.135 | 0.135 | null | null | null | 0.525 | 0.525 | 0.525 | null | null | null | has coordinates | De Ridder, D. J. A.; Schenk, H.; Döpp, D.
Structure of 6-<i>tert</i>-butyl-3,3-dimethyl-3<i>H</i>-indolium-1-oxide
Acta Crystallographica Section C
49(11)
(1993)
1971-1973 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,235 | 9.433 | 0.003 | 12.674 | 0.003 | 8.276 | 0.003 | 90 | null | 101.99 | 0.03 | 90 | null | 967.8 | 0.5 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | (3aS,9bR)-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one | - C12 H12 O2 - | - C12 H12 O2 - | - C48 H48 O8 - | 4 | 1 | SH1048 | De Ridder, D. J. A.; Schenk, H.; Ghosh, S. | Structure of <i>rac</i>-(3a<i>S</i>,9b<i>R</i>)-3a,4,5,9b-tetrahydronaphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1973 | 1975 | 10.1107/S0108270193003348 | 0.71069 | MolybdenumKα | 0.049 | 0.049 | null | 0.072 | 0.072 | null | null | null | 0.169 | 0.169 | 0.169 | null | null | null | has coordinates | De Ridder, D. J. A.; Schenk, H.; Ghosh, S.
Structure of <i>rac</i>-(3a<i>S</i>,9b<i>R</i>)-3a,4,5,9b-tetrahydronaphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one
Acta Crystallographica Section C
49(11)
(1993)
1973-1975 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,236 | 10.653 | 0.001 | 7.2936 | 0.0006 | 10.6398 | 0.0009 | 90 | null | 95.26 | 0.01 | 90 | null | 823.22 | 0.12 | 293 | null | 293 | null | null | null | null | null | 4 | A 1 2/a 1 | -A 2ya | 15 | N,N'-dimethylpiperazine-2,3-dithione | - C6 H10 N2 S2 - | - C6 H10 N2 S2 - | - C24 H40 N8 S8 - | 4 | 0.5 | SH1061 | De Ridder, D. J. A. | Structure of <i>N</i>,<i>N</i>'-dimethylpiperazine-2,3-dithione: space group correction | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1975 | 1976 | 10.1107/S0108270193005086 | 1.5418 | CopperKα | 0.039 | 0.037 | null | 0.073 | 0.07 | null | null | null | 1.18 | 1.167 | 1.167 | null | null | null | has coordinates | De Ridder, D. J. A.
Structure of <i>N</i>,<i>N</i>'-dimethylpiperazine-2,3-dithione: space group correction
Acta Crystallographica Section C
49(11)
(1993)
1975-1976 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,237 | 12.575 | 0.001 | 8.489 | 0.001 | 17.867 | 0.002 | 90 | null | 92.76 | 0.01 | 90 | null | 1,905.1 | 0.3 | 293 | null | 298 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | dimethyl 2-[o-(3,5-dimethylpyrazolyl)anilino]-3-methoxymaleate | - C18 H21 N3 O5 - | - C18 H21 N3 O5 - | - C72 H84 N12 O20 - | 4 | 1 | AB1086 | Sardone, N.; Oberti, R. | Structure of dimethyl 2-[<i>o</i>-(3,5-dimethyl-1-pyrazolyl)anilino]-3-methoxymaleate | Acta Crystallographica Section C | 1,993 | 49 | 11 | 1976 | 1978 | 10.1107/S0108270193005451 | 0.71069 | MoKα | 0.061 | 0.047 | null | null | null | null | null | null | null | 0.9575 | 0.9575 | null | null | null | has coordinates | Sardone, N.; Oberti, R.
Structure of dimethyl 2-[<i>o</i>-(3,5-dimethyl-1-pyrazolyl)anilino]-3-methoxymaleate
Acta Crystallographica Section C
49(11)
(1993)
1976-1978 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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