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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,001,396 | 15.531 | 0.004 | 18.136 | 0.006 | 16.895 | 0.004 | 90 | null | 114.67 | 0.02 | 90 | null | 4,324 | 2 | 150 | null | null | null | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | null | - C17 H36 F3 N O3 S - | - C17.5 H38.5 F3 N O3 S - | - C140 H308 F24 N8 O24 S8 - | 8 | 2 | HA1038 | Blake, A. J.; Radek, C.; Schröder, M. | Tetra(<i>n</i>-butyl)ammonium trifluoromethanesulfonate | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1652 | 1654 | 10.1107/S0108270193001544 | 0.71073 | MoKα | null | 0.0557 | null | null | 0.0661 | null | null | null | null | 1.342 | 1.342 | null | null | null | has coordinates | Blake, A. J.; Radek, C.; Schröder, M.
Tetra(<i>n</i>-butyl)ammonium trifluoromethanesulfonate
Acta Crystallographica Section C
49(9)
(1993)
1652-1654 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,397 | 12.42 | 0.002 | 11.18 | 0.001 | 11.979 | 0.001 | 90 | null | 110.91 | 0.01 | 90 | null | 1,553.8 | 0.3 | 153 | 1 | 153 | 1 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | (+/-)-1-beta-tert.-Butoxy-3a-alpha,4-beta,5,6,7,7a-hexahydro-7a-beta- methyl-5-oxo-4-alpha-indane carboxylic acid methylester | - C16 H26 O4 - | - C16 H26 O4 - | - C64 H104 O16 - | 4 | 1 | SE1022 | Pohl, E.; Herbst-Irmer, R.; Sheldrick, G. M.; van Hommelen, S.; Groth, U. | Structure of (±)-1β-<i>tert</i>-butoxy-3aα,4β,5,6,7,7a-hexahydro-7aβ-methyl-5-oxo-4α-indancarboxylic acid methyl ester at 153 K | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1654 | 1655 | 10.1107/S0108270193001684 | 0.71073 | MoKα | 0.0658 | 0.0434 | null | 0.1131 | 0.0975 | null | null | null | 1.024 | 1.047 | 1.047 | null | null | null | has coordinates | Pohl, E.; Herbst-Irmer, R.; Sheldrick, G. M.; van Hommelen, S.; Groth, U.
Structure of (±)-1β-<i>tert</i>-butoxy-3aα,4β,5,6,7,7a-hexahydro-7aβ-methyl-5-oxo-4α-indancarboxylic acid methyl ester at 153 K
Acta Crystallographica Section C
49(9)
(1993)
1654-1655 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,634 | 11.6327 | 0.0019 | 11.6594 | 0.0019 | 11.861 | 0.002 | 71.091 | 0.003 | 77.13 | 0.003 | 85.864 | 0.003 | 1,483.7 | 0.4 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C14 H24 Cu Mo4 N12 O15 - | - C14 H24 Cu Mo4 N12 O15 - | - C28 H48 Cu2 Mo8 N24 O30 - | 2 | 1 | Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng | Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths | CrystEngComm | 2,011 | 13 | 7 | 2350 | 10.1039/c0ce00517g | 0.71073 | MoKα | 0.0948 | 0.0721 | null | null | 0.1744 | 0.1861 | null | null | null | null | null | 1.059 | null | null | has coordinates | Du, Xiao-Di; Li, Cheng-Hui; Zhang, Yuan; Liu, Sheng; Ma, Yue; You, Xiao-Zeng
Coordination polymers based on the octamolybdate and flexible bis(triazole) ligands with different spacer lengths
CrystEngComm
13(7)
(2011)
2350 | 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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2,001,398 | 12.337 | 0.004 | 12.888 | 0.006 | 9.677 | 0.007 | 90 | null | 90 | null | 90 | null | 1,538.6 | 1.4 | 296 | null | 296 | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | 3-Amino-1-Propylammonium Perchlorate | - C3 H11 Cl N2 O4 - | - C3 H12 Cl N2 O4 - | - C24 H96 Cl8 N16 O32 - | 8 | 1 | LI1052 | Aurangzeb, N.; McAuliffe, C. A.; Pritchard, R. G.; Watkinson, M.; Garcia-Deibe, A.; Sousa, A.; Bermejo, M. R. | 3-Amino-1-propylammonium perchlorate: an extensively hydrogen-bonded system | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1656 | 1657 | 10.1107/S010827019300277X | 0.71069 | MoKα | null | 0.039 | null | null | 0.0523 | null | null | null | null | 2.077 | 2.077 | null | null | null | has coordinates | Aurangzeb, N.; McAuliffe, C. A.; Pritchard, R. G.; Watkinson, M.; Garcia-Deibe, A.; Sousa, A.; Bermejo, M. R.
3-Amino-1-propylammonium perchlorate: an extensively hydrogen-bonded system
Acta Crystallographica Section C
49(9)
(1993)
1656-1657 | 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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2,001,399 | 12.664 | 0.001 | 9.424 | 0.001 | 12.883 | 0.001 | 90 | null | 107.53 | 0.01 | 90 | null | 1,466.1 | 0.2 | 291 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C18 H24 O2 - | - C18 H24 O2 - | - C72 H96 O8 - | 4 | 1 | LI1046 | Iulek, J.; Zukerman-Schpector, J.; Brocksom, T. J.; Silva, Jnr, F. | Structures of the Diels–Alder reaction products of thymoquinone and 1-vinylcyclohexene. I. 2-Isopropyl-5-methyltricyclo[8.4.0.0^2,7^]tetradeca-4,9-diene-3,6-dione | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1657 | 1659 | 10.1107/S010827019300229X | 0.71073 | MoKα | null | 0.055 | null | null | 0.059 | null | null | null | null | 1.16 | 1.16 | null | null | null | has coordinates | Iulek, J.; Zukerman-Schpector, J.; Brocksom, T. J.; Silva, Jnr, F.
Structures of the Diels–Alder reaction products of thymoquinone and 1-vinylcyclohexene. I. 2-Isopropyl-5-methyltricyclo[8.4.0.0^2,7^]tetradeca-4,9-diene-3,6-dione
Acta Crystallographica Section C
49(9)
(1993)
1657-1659 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#-------------------------------------------------------------------... | |||||||||||
2,001,400 | 6.465 | 0.003 | 20.72 | 0.007 | 13.717 | 0.004 | 90 | null | 95.61 | 0.02 | 90 | null | 1,828.7 | 1.2 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1,5-Dihydro-3-(4,7-dihydro-1,3-dioxepin-2-yl)-8-methyl-3H-[1,3]- -dioxepino[5,6-c]pyridinium-9-ol maleate | - C18 H21 N O9 - | - C18 H21 N O9 - | - C72 H84 N4 O36 - | 4 | 1 | KA1031 | Vinković, M.; Dumić, M.; Kamenar, B. | 1,5-Dihydro-3-(4,7-dihydro-1,3-dioxepin-2-yl)-8-methyl-3<i>H</i>-[1,3]dioxepino[5,6-<i>c</i>]pyridinium-9-ol maleate | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1659 | 1661 | 10.1107/S0108270193002422 | 0.71069 | MoKα | null | 0.057 | null | null | 0.061 | null | null | null | null | 2.139 | 2.139 | null | null | null | has coordinates | Vinković, M.; Dumić, M.; Kamenar, B.
1,5-Dihydro-3-(4,7-dihydro-1,3-dioxepin-2-yl)-8-methyl-3<i>H</i>-[1,3]dioxepino[5,6-<i>c</i>]pyridinium-9-ol maleate
Acta Crystallographica Section C
49(9)
(1993)
1659-1661 | 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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#-------------------------------------------------------------------... | ||||||||||
7,205,633 | 7.075 | 0.0003 | 8.3144 | 0.0004 | 11.1366 | 0.0005 | 94.937 | 0.003 | 102.315 | 0.003 | 102.312 | 0.003 | 619.34 | 0.05 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 | P 1 | 1 | - C24 H26 N2 O12 S2 - | - C24 H26 N2 O12 S2 - | - C24 H26 N2 O12 S2 - | 1 | 1 | Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C. | Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid | CrystEngComm | 2,011 | 13 | 9 | 3134 | 10.1039/c0ce00516a | 1.54178 | CuKα | 0.0871 | 0.0543 | null | null | 0.1215 | 0.1391 | null | null | null | null | null | 1.028 | null | null | has coordinates | Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C.
Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid
CrystEngComm
13(9)
(2011)
3134 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,001,401 | 9.074 | 0.005 | 5.452 | 0.004 | 17.31 | 0.009 | 90 | null | 91.17 | 0.04 | 90 | null | 856.2 | 0.9 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 1-Methanesulfonyl-1a,2,6,6a-tetrahydro-1H,4H-[1,3]-dioxepino[5,6-b]azirine | - C6 H11 N O4 S - | - C6 H11 N O4 S - | - C24 H44 N4 O16 S4 - | 4 | 1 | KA1030 | Vinković, M.; Dumić, M.; Kamenar, B. | 1-Methanesulfonyl-1a,2,6,6a-tetrahydro-1<i>H</i>,4<i>H</i>-[1,3]dioxepino[5,6-<i>b</i>]azirine | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1661 | 1663 | 10.1107/S0108270193002185 | 0.71069 | MoKα | null | 0.042 | null | null | 0.062 | null | null | null | null | 0.5189 | 0.5189 | null | null | null | has coordinates | Vinković, M.; Dumić, M.; Kamenar, B.
1-Methanesulfonyl-1a,2,6,6a-tetrahydro-1<i>H</i>,4<i>H</i>-[1,3]dioxepino[5,6-<i>b</i>]azirine
Acta Crystallographica Section C
49(9)
(1993)
1661-1663 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,402 | 8.242 | 0.004 | 13.423 | 0.008 | 9.935 | 0.007 | 90 | null | 107.99 | 0.05 | 90 | null | 1,045.4 | 1.1 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | 2R,S~s~-1-(1-Benzyloxycarbonyl-2-methylprop-1-enyl)-2-benzylaminosulfinyl-4- -oxoazetidine | - C22 H24 N2 O4 S - | - C22 H24 N2 O4 S - | - C44 H48 N4 O8 S2 - | 2 | 1 | KA1032 | Vinković, M.; Herak, J. J.; Kamenar, B. | Benzyl 2-[(2<i>R</i>,S<i>S</i>)-2-(benzylaminosulfinyl)-4-oxoazetidin-1-yl]-3-methylbut-2-enoate | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1663 | 1665 | 10.1107/S0108270193002616 | 0.71069 | MoKα | null | 0.034 | null | null | 0.057 | null | null | null | null | 0.9569 | 0.9569 | null | null | null | has coordinates | Vinković, M.; Herak, J. J.; Kamenar, B.
Benzyl 2-[(2<i>R</i>,S<i>S</i>)-2-(benzylaminosulfinyl)-4-oxoazetidin-1-yl]-3-methylbut-2-enoate
Acta Crystallographica Section C
49(9)
(1993)
1663-1665 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,403 | 7.736 | 0.008 | 12.591 | 0.004 | 20.196 | 0.007 | 90 | null | 95.08 | 0.06 | 90 | null | 1,959 | 2 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C20 H24 Cl N O6 - | - C20 H24 Cl N O6 - | - C80 H96 Cl4 N4 O24 - | 4 | 1 | CD1033 | Ghosh, R.; Mukherjee, K.; Roychowdhury, P.; Klayman, D. L. | Structure of an antimalarial alkaloid, jatrorrhizine | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1665 | 1667 | 10.1107/S0108270193002458 | 0.7135 | MoKα | null | 0.057 | null | null | 0.065 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Ghosh, R.; Mukherjee, K.; Roychowdhury, P.; Klayman, D. L.
Structure of an antimalarial alkaloid, jatrorrhizine
Acta Crystallographica Section C
49(9)
(1993)
1665-1667 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,632 | 7.102 | 0.0002 | 8.033 | 0.0002 | 11.9154 | 0.0003 | 95.252 | 0.001 | 104.65 | 0.001 | 99.577 | 0.001 | 642.12 | 0.03 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P 1 | P 1 | 1 | - C12 H13 N O6 S - | - C12 H13 N O6 S - | - C24 H26 N2 O12 S2 - | 2 | 2 | Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C. | Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid | CrystEngComm | 2,011 | 13 | 9 | 3134 | 10.1039/c0ce00516a | 1.54178 | CuKα | 0.0282 | 0.0268 | null | null | 0.0706 | 0.0801 | null | null | null | null | null | 1.067 | null | null | has coordinates | Wheeler, Kraig A.; Wiseman, Joshua D.; Grove, Rebecca C.
Enantiocontrolled solid-state photodimerizations via a chiral sulfonamidecinnamic acid
CrystEngComm
13(9)
(2011)
3134 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,001,404 | 15.776 | 0.013 | 8.646 | 0.003 | 14.087 | 0.005 | 90 | null | 96.05 | 0.05 | 90 | null | 1,910.8 | 1.8 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | null | - C44 H26 Cl4 N4 - | - C44 H26 Cl4 N4 - | - C88 H52 Cl8 N8 - | 2 | 0.5 | AB1038 | Hökelek, T.; Ülkü, D.; Gündüz, N.; Hayvali, M.; Kiliç, Z. | 5,10,15,20-Tetrakis(<i>p</i>-chlorophenyl)porphyrin | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1667 | 1670 | 10.1107/S0108270193000782 | 1.5418 | CuKα | null | 0.07 | null | null | 0.088 | null | null | null | null | null | null | null | null | null | has coordinates | Hökelek, T.; Ülkü, D.; Gündüz, N.; Hayvali, M.; Kiliç, Z.
5,10,15,20-Tetrakis(<i>p</i>-chlorophenyl)porphyrin
Acta Crystallographica Section C
49(9)
(1993)
1667-1670 | 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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2,001,405 | 17.231 | 0.009 | 9.955 | 0.006 | 7.611 | 0.003 | 90 | null | 113.7 | 0.5 | 90 | null | 1,195 | 5 | 293 | null | null | null | null | null | null | null | 4 | C 1 c 1 | C -2yc | null | - C9 H14 N6 S - | - C9 H14 N6 S - | - C36 H56 N24 S4 - | 4 | 1 | DU1035 | Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M. | Structure of 5-[1-(diaminomethylenehydrazono)ethyl]-4-methyl-2-methylthiopyrimidine | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1670 | 1673 | 10.1107/S0108270193002367 | 1.5418 | CuKα | null | 0.0384 | null | null | 0.0364 | null | null | null | null | 0.93 | 0.93 | null | null | null | has coordinates | Cousson, A.; Nectoux, F.; Bachet, B.; Kokel, B.; Hubert-Habart, M.
Structure of 5-[1-(diaminomethylenehydrazono)ethyl]-4-methyl-2-methylthiopyrimidine
Acta Crystallographica Section C
49(9)
(1993)
1670-1673 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,406 | 5.052 | 0.004 | 11.95 | 0.009 | 18.985 | 0.007 | 90 | null | 94.88 | 0.05 | 90 | null | 1,142 | 1.3 | 172 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C21 H30 N6 O9 - | - C21 H30 N6 O9 - | - C42 H60 N12 O18 - | 2 | 1 | GR1004 | Görbitz, C. H.; Etter, M. C. | Structure of a 1:1 complex between <small>L</small>-Asp-<small>L</small>-Phe and <small>L</small>-His-Gly | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1673 | 1676 | 10.1107/S010827019300246X | 0.71069 | MoKα | null | 0.046 | null | null | 0.051 | null | null | null | null | 1.14 | 1.14 | null | null | null | has coordinates | Görbitz, C. H.; Etter, M. C.
Structure of a 1:1 complex between <small>L</small>-Asp-<small>L</small>-Phe and <small>L</small>-His-Gly
Acta Crystallographica Section C
49(9)
(1993)
1673-1676 | 205,898 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $
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2,001,407 | 9.036 | 0.001 | 10.094 | 0.001 | 7.8868 | 0.0009 | 94.11 | 0.01 | 98.84 | 0.01 | 116.556 | 0.008 | 627.74 | 0.13 | 296 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C9 H16 N3 O5 P - | - C9 H16 N3 O5 P - | - C18 H32 N6 O10 P2 - | 2 | 1 | OH1009 | Okabe, N.; Fukuda, H.; Nakamura, T. | Structure of iproniazid phosphate | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1677 | 1678 | 10.1107/S010827019300304X | 0.71069 | MoKα | null | 0.039 | null | null | 0.046 | null | null | null | null | 1.55 | 1.55 | null | null | null | has coordinates | Okabe, N.; Fukuda, H.; Nakamura, T.
Structure of iproniazid phosphate
Acta Crystallographica Section C
49(9)
(1993)
1677-1678 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,408 | 4.819 | 0.003 | 11.625 | 0.004 | 14.268 | 0.004 | 90 | null | 97.04 | 0.04 | 90 | null | 793.3 | 0.6 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H12 N8 O8 - | - C6 H6 N4 O4 - | - C24 H24 N16 O16 - | 4 | 1 | AS1037 | Okabe, N.; Nakamura, T.; Fukuda, H. | Structure of 2,4-dinitrophenylhydrazine | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1678 | 1680 | 10.1107/S0108270193002550 | 0.71069 | MoKα | null | 0.04 | null | null | 0.043 | null | null | null | null | 1.16 | 1.16 | null | null | null | has coordinates | Okabe, N.; Nakamura, T.; Fukuda, H.
Structure of 2,4-dinitrophenylhydrazine
Acta Crystallographica Section C
49(9)
(1993)
1678-1680 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,409 | 15.87 | 0.001 | 8.061 | 0.001 | 14.879 | 0.001 | 90 | null | 112.46 | 0.01 | 90 | null | 1,759.1 | 0.3 | 297 | null | null | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | (1R^*^,6aS^*^,14aS^*^,14bR^*^,13E)-6a,14c-Epoxy-1,14a-dimethyl- 1,2,6,6a,7,8,9,10,11,12-decahydro-14aH-3-oxa cyclobuta[a]furo[2,3,4-b,c]cyclopentadecene-4,5-dione | - C20 H26 O4 - | - C20 H26 O4 - | - C80 H104 O16 - | 4 | 1 | AS1054 | Yamaguchi, K.; Takeda, K.; Shimotani, A.; Yoshii, E. | Cyclobutane structures fused to a 13-membered ring | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1680 | 1683 | 10.1107/S0108270193002677 | 1.5405 | CuKα~1~ | null | 0.0485 | null | null | 0.0478 | null | null | null | null | 1.493 | 1.493 | null | null | null | has coordinates | Yamaguchi, K.; Takeda, K.; Shimotani, A.; Yoshii, E.
Cyclobutane structures fused to a 13-membered ring
Acta Crystallographica Section C
49(9)
(1993)
1680-1683 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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7,205,631 | 14.959 | 0.0003 | 17.5 | 0.0005 | 24.004 | 0.0007 | 71.799 | 0.002 | 85.778 | 0.002 | 71.804 | 0.001 | 5,668.9 | 0.3 | 100 | 2 | 100 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C104 H111 Al N8 O56.95 S8 - | - C104 H111 Al N8 O56.948 S8 - | - C208 H222 Al2 N16 O113.896 S16 - | 2 | 1 | Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W. | Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline | CrystEngComm | 2,011 | 13 | 9 | 3265 | 10.1039/c0ce00515k | 0.71073 | MoKα | 0.1247 | 0.0798 | null | null | 0.1715 | 0.1909 | null | null | null | null | null | 1.029 | null | null | has coordinates,has disorder | Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.
Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline
CrystEngComm
13(9)
(2011)
3265 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
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2,001,410 | 28.875 | 0.004 | 6.82 | 0.002 | 19.572 | 0.002 | 90 | null | 108.56 | 0.01 | 90 | null | 3,653.8 | 1.3 | 297 | null | null | null | null | null | null | null | 3 | A 1 2/a 1 | null | (1R^*^,6aR^*^,14aR^*^,14bS^*^,13E)-6a,14c-epoxy-1,14a-dimethyl- 1,2,6,6a,7,8,9,10,11,12-decahydro-14aH-3-oxa cyclobuta[a]furo[2,3,4-b,c]cyclopentadecene-4,5-dione | - C20 H26 O4 - | - C20 H26 O4 - | - C160 H208 O32 - | 8 | 1 | AS1054 | Yamaguchi, K.; Takeda, K.; Shimotani, A.; Yoshii, E. | Cyclobutane structures fused to a 13-membered ring | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1680 | 1683 | 10.1107/S0108270193002677 | 1.5405 | CuKα~1~ | null | 0.0683 | null | null | 0.061 | null | null | null | null | 1.995 | 1.995 | null | null | null | has coordinates | Yamaguchi, K.; Takeda, K.; Shimotani, A.; Yoshii, E.
Cyclobutane structures fused to a 13-membered ring
Acta Crystallographica Section C
49(9)
(1993)
1680-1683 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,411 | 6.4939 | 0.0003 | 11.8032 | 0.0003 | 35.0205 | 0.0015 | 90 | null | 90 | null | 90 | null | 2,684.28 | 0.18 | 293 | null | 293 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | Methyl 17β-benzoyloxy-14β-hydroxy-3β-methylethynyl-1,7-dioxo- 5β-androstan-19-oate | - C30 H36 O7 - | - C30 H36 O7 - | - C120 H144 O28 - | 4 | 1 | CD1040 | Michel, A. G.; Drouin, M. | Non-natural 14-hydroxy steroids. III. (±)-Methyl 17β-benzoyloxy-14β-hydroxy-3β-isopropenyl-1,7-dioxo-5β-androstan-19-oate | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1683 | 1685 | 10.1107/S0108270193002744 | 0.7093 | MoKα | 0.103 | 0.072 | null | 0.066 | 0.064 | null | null | null | null | 2.59 | 2.59 | null | null | null | has coordinates | Michel, A. G.; Drouin, M.
Non-natural 14-hydroxy steroids. III. (±)-Methyl 17β-benzoyloxy-14β-hydroxy-3β-isopropenyl-1,7-dioxo-5β-androstan-19-oate
Acta Crystallographica Section C
49(9)
(1993)
1683-1685 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,412 | 9.0995 | 0.0006 | 13.0675 | 0.0007 | 16.3219 | 0.0007 | 90 | null | 90 | null | 90 | null | 1,940.8 | 0.18 | 293 | null | 293 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 3-Epiryanodol | 3-Epiryanodol | - C20 H32 O8 - | - C20 H32 O8 - | - C80 H128 O32 - | 4 | 1 | CD1044 | Michel, A. G.; Drouin, M. | Structure of 3-epiryanodol: a heptahydro diterpene | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1685 | 1688 | 10.1107/S0108270193002987 | 0.7093 | MoKα | 0.046 | 0.034 | null | 0.03 | 0.029 | null | null | null | null | 1.44 | 1.44 | null | null | null | has coordinates | Michel, A. G.; Drouin, M.
Structure of 3-epiryanodol: a heptahydro diterpene
Acta Crystallographica Section C
49(9)
(1993)
1685-1688 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,413 | 29.817 | 0.012 | 17.001 | 0.007 | 7.279 | 0.005 | 90 | null | 90 | null | 90 | null | 3,690 | 3 | 293 | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | null | - C21 H25 N O4 - | - C21 H25 N O4 - | - C168 H200 N8 O32 - | 8 | 1 | KA1026 | Ribár, B.; Lazar, D.; Gašić, O.; Kanyó, I.; Simonov, Y. A.; Kravtsov, V. Kh. | Structure of (±)-tetrahydropalmatine | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1691 | 1693 | 10.1107/S0108270193002410 | 1.54178 | CuKα | null | 0.061 | null | null | 0.07 | null | null | null | null | 3.85 | 3.85 | null | null | null | has coordinates | Ribár, B.; Lazar, D.; Gašić, O.; Kanyó, I.; Simonov, Y. A.; Kravtsov, V. Kh.
Structure of (±)-tetrahydropalmatine
Acta Crystallographica Section C
49(9)
(1993)
1691-1693 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,414 | 14.619 | 0.005 | 14.587 | 0.008 | 12.024 | 0.004 | 90 | null | 108.66 | 0.03 | 90 | null | 2,429.3 | 1.8 | 296 | null | 296 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Ethyl 3-(5-amino-4-cyano-1-imidazolylamino)but-2-enoate | - C10 H13 N5 O2 - | - C10 H13 N5 O2 - | - C80 H104 N40 O16 - | 8 | 1 | AL1047 | Booth, B. L.; Pritchard, R. G.; Freitas, A. P.; Proença, M. F. J. R. P. | Ethyl 3-(5-amino-4-cyano-1-imidazolyl-amino)-2-butenoate: an example of a combined inter- and intramolecular bifurcated hydrogen bond | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1695 | 1696 | 10.1107/S0108270193002938 | 0.71069 | MoKα | null | 0.0376 | null | null | 0.041 | null | null | null | null | 1.448 | 1.448 | null | null | null | has coordinates | Booth, B. L.; Pritchard, R. G.; Freitas, A. P.; Proença, M. F. J. R. P.
Ethyl 3-(5-amino-4-cyano-1-imidazolyl-amino)-2-butenoate: an example of a combined inter- and intramolecular bifurcated hydrogen bond
Acta Crystallographica Section C
49(9)
(1993)
1695-1696 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,630 | 15.7679 | 0.0004 | 19.3917 | 0.0004 | 20.0469 | 0.0007 | 67.989 | 0.002 | 68.407 | 0.001 | 73.523 | 0.001 | 5,208 | 0.3 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C100 H76.54 N12 O34.01 S4 - | - C100 H76.535 N12 O34.012 S4 - | - C200 H153.07 N24 O68.024 S8 - | 2 | 1 | Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W. | Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline | CrystEngComm | 2,011 | 13 | 9 | 3265 | 10.1039/c0ce00515k | 0.71073 | MoKα | 0.1193 | 0.1015 | null | null | 0.2637 | 0.2752 | null | null | null | null | null | 1.091 | null | null | has coordinates,has disorder | Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.
Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline
CrystEngComm
13(9)
(2011)
3265 | 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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2,001,415 | 10.368 | 0.002 | 15.595 | 0.003 | 7.47 | 0.002 | 101.65 | 0.01 | 97.74 | 0.02 | 78.94 | 0.02 | 1,155.2 | 0.5 | 296 | null | 296 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | 1,3,5-Triacetyltriphenylbenzene | - C30 H24 O3 - | - C30 H24 O3 - | - C60 H48 O6 - | 2 | 1 | AL1046 | Booth, B. L.; Pritchard, R. G.; Taylor-Gomes, J. | 1,3,5-Triacetyl-2,4,6-triphenylbenzene: a sterically hindered molecule | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1696 | 1698 | 10.1107/S0108270193002902 | 0.71069 | MoKα | null | 0.0473 | null | null | 0.0495 | null | null | null | null | 1.688 | 1.688 | null | null | null | has coordinates | Booth, B. L.; Pritchard, R. G.; Taylor-Gomes, J.
1,3,5-Triacetyl-2,4,6-triphenylbenzene: a sterically hindered molecule
Acta Crystallographica Section C
49(9)
(1993)
1696-1698 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,416 | 14.24 | 0.01 | 9.767 | 0.007 | 16.59 | 0.01 | 90 | null | 113.74 | 0.06 | 90 | null | 2,112 | 3 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 3-{2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-ethyl}- 6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one | - C23 H27 F N4 O2 - | - C23 H27 F N4 O2 - | - C92 H108 F4 N16 O8 - | 4 | 1 | NA1034 | Peeters, O. M.; Blaton, N. M.; De Ranter, C. J. | Structure of 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino]ethyl}-6,7,8,9-tetrahydro-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one (risperidone) | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1698 | 1700 | 10.1107/S0108270193002240 | 0.71069 | MoKα | 0.105 | 0.0475 | null | 0.0702 | 0.0635 | null | null | null | null | 1.53 | 1.53 | null | null | null | has coordinates | Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.
Structure of 3-{2-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino]ethyl}-6,7,8,9-tetrahydro-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one (risperidone)
Acta Crystallographica Section C
49(9)
(1993)
1698-1700 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,417 | 13.216 | 0.002 | 7.98 | 0.002 | 10.97 | 0.002 | 90 | null | 102.39 | 0.01 | 90 | null | 1,130 | 0.4 | 288 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C21 H25 N3 O10 - | - C21 H25 N3 O10 - | - C42 H50 N6 O20 - | 2 | 1 | OH1015 | Ogawa, T.; Matsumoto, K.; Hatayama, K.; Kitamura, K. | Structure of a 4-phenyl-1,4-dihydropyridine derivative containing a nitrooxyalkyl ester at the 3-position | Acta Crystallographica Section C | 1,993 | 49 | 9 | 1700 | 1702 | 10.1107/S0108270193002690 | 1.54178 | CuKα | null | 0.035 | null | null | 0.045 | null | null | null | null | 4.7 | 4.7 | null | null | null | has coordinates | Ogawa, T.; Matsumoto, K.; Hatayama, K.; Kitamura, K.
Structure of a 4-phenyl-1,4-dihydropyridine derivative containing a nitrooxyalkyl ester at the 3-position
Acta Crystallographica Section C
49(9)
(1993)
1700-1702 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,418 | 5.549 | 0.0001 | 10.4774 | 0.0002 | 3.8796 | 0.0001 | 90 | null | 90 | null | 90 | null | 225.556 | 0.008 | null | null | null | null | null | null | null | null | 3 | P b a m | -P 2 2ab | null | - Cu2 La2 O5 - | - Cu2 La2 O5 - | - Cu4 La4 O10 - | 2 | 0.25 | BR1018 | La Placa, S. J.; Bringley, J. F.; Scott, B. A.; Cox, D. E. | Structure of La~2~Cu~2~O~5~ by high-resolution synchrotron X-ray powder diffraction | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1415 | 1417 | 10.1107/S0108270193001891 | 1.2 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | La Placa, S. J.; Bringley, J. F.; Scott, B. A.; Cox, D. E.
Structure of La~2~Cu~2~O~5~ by high-resolution synchrotron X-ray powder diffraction
Acta Crystallographica Section C
49(8)
(1993)
1415-1417 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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7,205,629 | 16.5101 | 0.0005 | 17.2117 | 0.0008 | 18.3538 | 0.0009 | 98.677 | 0.002 | 115.325 | 0.002 | 105.537 | 0.002 | 4,325.9 | 0.3 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C82 H62.5 N9 O32.8 S4 - | - C82 H62.5 N9 O32.862 S4 - | - C164 H125 N18 O65.724 S8 - | 2 | 1 | Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W. | Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline | CrystEngComm | 2,011 | 13 | 9 | 3265 | 10.1039/c0ce00515k | 0.71073 | MoKα | 0.1465 | 0.1051 | null | null | 0.2304 | 0.2496 | null | null | null | null | null | 1.13 | null | null | has coordinates,has disorder | Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.
Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline
CrystEngComm
13(9)
(2011)
3265 | 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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2,001,419 | 12.58 | 0.002 | 26.262 | 0.005 | 11.34 | 0.004 | 90 | null | 108.11 | 0.02 | 90 | null | 3,560.9 | 1.6 | null | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C48 H68 Cl2 N8 O38 V10 - | - C48 H8 Cl2 N8 O38 V10 - | - C96 H16 Cl4 N16 O76 V20 - | 2 | 0.5 | AB1007 | Arrieta, J. M.; Arnaiz, A. R.; Santiago, C.; Lorente, L.; Zúñiga, F. J.; Madariaga, G.; Germain, G.; Vlassi, M. | Structure of hexakis(3-methylpyridinium) decavanadate bis(3-methylpyridinium perchlorate) dihydrate | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1417 | 1421 | 10.1107/S0108270193001362 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Arrieta, J. M.; Arnaiz, A. R.; Santiago, C.; Lorente, L.; Zúñiga, F. J.; Madariaga, G.; Germain, G.; Vlassi, M.
Structure of hexakis(3-methylpyridinium) decavanadate bis(3-methylpyridinium perchlorate) dihydrate
Acta Crystallographica Section C
49(8)
(1993)
1417-1421 | 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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2,001,420 | 14.6703 | 0.0008 | 9.4136 | 0.0005 | 13.4665 | 0.0008 | 90 | null | 90 | null | 90 | null | 1,859.73 | 0.18 | null | null | null | null | null | null | null | null | 5 | P n a 21 | P 2c -2n | null | - C12 H16 Cu I2 N8 - | - C12 H16 Cu I2 N8 - | - C48 H64 Cu4 I8 N32 - | 4 | 1 | HH1017 | Ballester, J.; Parker, O. J.; Breneman, G. L. | Structure of tetrakis(imidazole)copper(II) diiodide | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1421 | 1424 | 10.1107/S0108270193004329 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ballester, J.; Parker, O. J.; Breneman, G. L.
Structure of tetrakis(imidazole)copper(II) diiodide
Acta Crystallographica Section C
49(8)
(1993)
1421-1424 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,421 | 22.168 | 0.005 | 13.266 | 0.002 | 24.33 | 0.006 | 90 | null | 105.17 | 0.02 | 90 | null | 6,906 | 3 | null | null | null | null | null | null | null | null | 8 | P 1 21/c 1 | -P 2ybc | null | - C64 H66 Ce Cl2 Co N6 O17 P2 - | - C64 H66 Ce Cl2 Co N6 O17 P2 - | - C256 H264 Ce4 Cl8 Co4 N24 O68 P8 - | 4 | 1 | AB1036 | Collins, T. J.; Workman, J. M. | Structure of tetraphenylphosphonium μ-{[η^4^-2,4-bis(2-hydroxy-2-methylpropanamido)-2,4-dimethyl-3-oxopentane]cobalt(III)}tetranitratocerium(III) dichloromethane | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1426 | 1428 | 10.1107/S0108270193002161 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Collins, T. J.; Workman, J. M.
Structure of tetraphenylphosphonium μ-{[η^4^-2,4-bis(2-hydroxy-2-methylpropanamido)-2,4-dimethyl-3-oxopentane]cobalt(III)}tetranitratocerium(III) dichloromethane
Acta Crystallographica Section C
49(8)
(1993)
1426-1428 | 194,476 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 194476 $
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2,001,422 | 31.535 | 0.008 | 14.313 | 0.005 | 9.4461 | 0.0003 | 90 | null | 90 | null | 90 | null | 4,263.6 | 1.8 | null | null | null | null | null | null | null | null | 4 | F d d 2 | F 2 -2d | null | - C7 H9 N3 O7 - | - C7 H9 N3 O7 - | - C112 H144 N48 O112 - | 16 | 1 | HL1001 | Boyd, M.; Atwell, G. J.; Denny, W. A. | Structure of 3-methoxycarbonyl-1-methyl-4-nitropyrazole-5-carboxylic acid monohydrate | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1429 | 1430 | 10.1107/S0108270193003488 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Boyd, M.; Atwell, G. J.; Denny, W. A.
Structure of 3-methoxycarbonyl-1-methyl-4-nitropyrazole-5-carboxylic acid monohydrate
Acta Crystallographica Section C
49(8)
(1993)
1429-1430 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,628 | 14.4679 | 0.0009 | 15.7447 | 0.0007 | 15.7561 | 0.0009 | 99.217 | 0.003 | 108.401 | 0.002 | 112.951 | 0.002 | 2,966.6 | 0.3 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C64 H56 N6 O20 S4 - | - C64 H56 N6 O20 S4 - | - C128 H112 N12 O40 S8 - | 2 | 1 | Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W. | Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline | CrystEngComm | 2,011 | 13 | 9 | 3265 | 10.1039/c0ce00515k | 0.71073 | MoKα | 0.1381 | 0.0857 | null | null | 0.1791 | 0.2002 | null | null | null | null | null | 1.041 | null | null | has coordinates | Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.
Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline
CrystEngComm
13(9)
(2011)
3265 | 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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2,001,423 | 9.0405 | 0.0016 | 9.1893 | 0.0015 | 10.6043 | 0.0019 | 93.285 | 0.014 | 106.558 | 0.013 | 101.73 | 0.013 | 820.5 | 0.3 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C18 H12 O6 Si - | - C18 H12 O6 Si - | - C36 H24 O12 Si2 - | 2 | 1 | CR1023 | Ziller, J. W.; Schaber, P. M.; Dinan, F. J. | Structure of 5,5'-dimethylsilanediyldi(phthalic anhydride): a model system for aromatic polyimides | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1430 | 1432 | 10.1107/S010827019300472X | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ziller, J. W.; Schaber, P. M.; Dinan, F. J.
Structure of 5,5'-dimethylsilanediyldi(phthalic anhydride): a model system for aromatic polyimides
Acta Crystallographica Section C
49(8)
(1993)
1430-1432 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,424 | 9.755 | 0.005 | 12.849 | 0.009 | 10.42 | 0.008 | 90 | null | 104.16 | 0.04 | 90 | null | 1,266.4 | 1.5 | null | 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 | MU1043 | He, Y.; Shi, J.; Su, G. | Structure of ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)propenoate | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1432 | 1434 | 10.1107/S0108270193003580 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | He, Y.; Shi, J.; Su, G.
Structure of ethyl 2-cyano-3-(3-hydroxy-4-methoxyphenyl)propenoate
Acta Crystallographica Section C
49(8)
(1993)
1432-1434 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,425 | 25.05 | 0.03 | 6.203 | 0.002 | 15.89 | 0.02 | 90 | null | 109.6 | 0.1 | 90 | null | 2,326 | 4 | null | null | null | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | null | - C28 H20 N2 O2 S2 - | - C28 H20 N2 O2 S2 - | - C112 H80 N8 O8 S8 - | 4 | 1 | MU1033 | Fawcett, J.; Kemmitt, R. D. W.; Russell, D. R.; Serindag, O.; Gok, Y. | Structure of <i>o</i>,<i>o</i>'-bis(1-oxo-2,3-dihydro-1<i>H</i>-2-benzopyrrol-2-yl)diphenyl disulfide | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1434 | 1436 | 10.1107/S0108270193003385 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Fawcett, J.; Kemmitt, R. D. W.; Russell, D. R.; Serindag, O.; Gok, Y.
Structure of <i>o</i>,<i>o</i>'-bis(1-oxo-2,3-dihydro-1<i>H</i>-2-benzopyrrol-2-yl)diphenyl disulfide
Acta Crystallographica Section C
49(8)
(1993)
1434-1436 | 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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2,001,426 | 7.8723 | 0.0005 | 7.8723 | 0.0005 | 5.499 | 0.001 | 90 | null | 90 | null | 120 | null | 295.13 | 0.06 | 296 | null | null | null | null | null | null | null | 4 | P 63 m c | P 6c -2c | 186 | - Br H6 Li O7 - | - Br H6 Li O7 - | - Br2 H12 Li2 O14 - | 2 | 0.166667 | CR1039 | Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.; Reppart, W. J. | Structure of lithium perbromate trihydrate | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1437 | 1439 | 10.1107/S0108270193000538 | 0.71073 | MoKα | null | 0.037 | null | null | 0.057 | null | null | null | null | 2.55 | 2.55 | null | null | null | has coordinates | Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.; Reppart, W. J.
Structure of lithium perbromate trihydrate
Acta Crystallographica Section C
49(8)
(1993)
1437-1439 | 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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2,001,427 | 5.6218 | 0.0009 | 8.0058 | 0.0007 | 11.9924 | 0.0016 | 80.643 | 0.009 | 89.16 | 0.012 | 89.75 | 0.01 | 532.5 | 0.12 | 296 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - Br2 Ca H8 O12 - | - Br2 Ca H8 O12 - | - Br4 Ca2 H16 O24 - | 2 | 1 | CR1042 | Blackburn, A. C.; Gerkin, R. E. | Structure of tetraaquacalcium perbromate | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1439 | 1442 | 10.1107/S0108270193001714 | 0.71073 | MoKα | null | 0.021 | null | null | 0.027 | null | null | null | null | 1.18 | 1.18 | null | null | null | has coordinates | Blackburn, A. C.; Gerkin, R. E.
Structure of tetraaquacalcium perbromate
Acta Crystallographica Section C
49(8)
(1993)
1439-1442 | 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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2,001,428 | 13.173 | 0.006 | 10.101 | 0.007 | 8.734 | 0.004 | 90 | null | 90 | null | 90 | null | 1,162.2 | 1.1 | 130 | null | null | null | null | null | null | null | 2 | P n m a | -P 2ac 2n | 62 | - Sb3 Sr5 - | - Sb3 Sr5 - | - Sb12 Sr20 - | 4 | 0.5 | ST1034 | Rehr, A.; Kauzlarich, S. M. | A new modification of Sr~5~Sb~3~ | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1442 | 1444 | 10.1107/S0108270192013362 | 0.71073 | MoKα | null | 0.0373 | null | null | 0.032 | null | null | null | null | 1.17 | 1.17 | null | null | null | has coordinates | Rehr, A.; Kauzlarich, S. M.
A new modification of Sr~5~Sb~3~
Acta Crystallographica Section C
49(8)
(1993)
1442-1444 | 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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7,205,627 | 7.5043 | 0.0007 | 7.8779 | 0.0007 | 8.3841 | 0.0007 | 83.864 | 0.006 | 79.848 | 0.007 | 61.879 | 0.006 | 430.14 | 0.07 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C24 H14 O4 - | - C24 H14 O4 - | - C24 H14 O4 - | 1 | 0.5 | Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi | 1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state | CrystEngComm | 2,011 | 13 | 9 | 3170 | 10.1039/c0ce00509f | 1.54178 | CuKα | 0.115 | 0.0579 | null | null | 0.133 | 0.1619 | null | null | null | null | null | 1.017 | null | null | has coordinates | Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi
1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state
CrystEngComm
13(9)
(2011)
3170 | 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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2,001,429 | 8.164 | 0.001 | 4.468 | 0.001 | 8.977 | 0.001 | 90 | null | 124.16 | 0.01 | 90 | null | 270.96 | 0.08 | 295 | null | null | null | null | null | null | null | 2 | P 1 21/c 1 | -P 2ybc | 14 | - Ag2 Te - | - Ag2 Te - | - Ag8 Te4 - | 4 | 1 | HA1058 | van der Lee, A.; de Boer, J. L. | Redetermination of the structure of hessite, Ag~2~Te-III | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1444 | 1446 | 10.1107/S0108270193003294 | 0.71073 | Mo | null | 0.057 | null | null | 0.042 | null | null | null | null | 6.979 | 6.979 | null | null | null | has coordinates | van der Lee, A.; de Boer, J. L.
Redetermination of the structure of hessite, Ag~2~Te-III
Acta Crystallographica Section C
49(8)
(1993)
1444-1446 | 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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2,001,430 | 22.334 | 0.002 | 22.334 | 0.002 | 22.334 | 0.002 | 90 | null | 90 | null | 90 | null | 11,140.4 | 1.7 | 299 | null | null | null | null | null | null | null | 5 | F m -3 m | -F 4 2 3 | null | - H38 Mo12 Na3 O59 V - | - Mo12 Na3 O59 V - | - Mo96 Na24 O472 V8 - | 8 | 0.041667 | HA1022 | Zhang, S. W.; Huang, G. Q.; Wei, Y. G.; Shao, M. C.; Tang, Y. Q. | Structure of Na~3~[VMo~12~O~40~].19H~2~O | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1446 | 1448 | 10.1107/S0108270193003257 | 0.71073 | MoKα | null | 0.0547 | null | null | 0.0556 | null | null | null | null | 26.65 | 26.65 | null | null | null | has coordinates | Zhang, S. W.; Huang, G. Q.; Wei, Y. G.; Shao, M. C.; Tang, Y. Q.
Structure of Na~3~[VMo~12~O~40~].19H~2~O
Acta Crystallographica Section C
49(8)
(1993)
1446-1448 | 282,085 | 2023-03-28 | 12:49:24 | #------------------------------------------------------------------------------
#$Date: 2023-03-28 15:49:16 +0300 (Tue, 28 Mar 2023) $
#$Revision: 282085 $
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2,001,431 | 10.337 | 0.006 | 10.337 | 0.006 | 10.337 | 0.006 | 90 | null | 90 | null | 90 | null | 1,104.5 | 1.1 | 293 | null | null | null | null | null | null | null | 3 | F d -3 m | -F 4vw 2vw 3 | null | - Cr2 Cu Se4 - | - Cr2 Cu Se4 - | - Cr16 Cu8 Se32 - | 8 | null | SH1039 | Okońska-Kozlowska, I.; Kopyczok, J.; Lutz, H. D.; Stingl, T. | Single-crystal structure refinement of spinel-type CuCr~2~Se~4~ | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1448 | 1449 | 10.1107/S0108270193001945 | 0.7093 | MoKα | null | 0.027 | null | null | 0.033 | null | null | null | null | 0.91 | 0.91 | null | null | null | has coordinates | Okońska-Kozlowska, I.; Kopyczok, J.; Lutz, H. D.; Stingl, T.
Single-crystal structure refinement of spinel-type CuCr~2~Se~4~
Acta Crystallographica Section C
49(8)
(1993)
1448-1449 | 282,538 | 2023-04-10 | 16:55:39 | #------------------------------------------------------------------------------
#$Date: 2023-04-10 19:55:37 +0300 (Mon, 10 Apr 2023) $
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2,001,432 | 10.897 | 0.001 | 7.427 | 0.001 | 9.516 | 0.001 | 90 | null | 112.88 | 0.01 | 90 | null | 709.55 | 0.15 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | bis[(S)-prolinamidato]copper(II) dihydrate | - C10 H22 Cu N4 O4 - | - C10 H22 Cu N4 O4 - | - C20 H44 Cu2 N8 O8 - | 2 | 1 | AL1038 | Gasparri Fava, G.; Belicchi Ferrari, M.; Pelosi, G.; De Munari, E.; Corradini, R.; Marchelli, R.; Dossena, A. | Structure of bis[(<i>S</i>)-prolinamidato]copper(II) dihydrate | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1449 | 1452 | 10.1107/S0108270193001179 | 1.54178 | CuKα | null | 0.043 | null | null | 0.048 | null | null | null | null | 1.09 | 1.09 | null | null | null | has coordinates | Gasparri Fava, G.; Belicchi Ferrari, M.; Pelosi, G.; De Munari, E.; Corradini, R.; Marchelli, R.; Dossena, A.
Structure of bis[(<i>S</i>)-prolinamidato]copper(II) dihydrate
Acta Crystallographica Section C
49(8)
(1993)
1449-1452 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,433 | 15.945 | 0.004 | 9.845 | 0.003 | 8.912 | 0.003 | 90 | null | 90 | null | 90 | null | 1,399 | 0.7 | 298 | null | null | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C10 H18 N2 Na2 O10 - | - C10 H18 N2 Na2 O10 - | - C40 H72 N8 Na8 O40 - | 4 | 0.5 | AL1024 | Font-Bardia, M.; Solans, X.; Font-Altaba, M. | Sodium ion complexes with ethylenediaminetetraacetic acid | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1452 | 1456 | 10.1107/S0108270193001350 | 0.71069 | MoKα | null | 0.063 | null | null | 0.066 | null | null | null | null | null | null | null | null | null | has coordinates | Font-Bardia, M.; Solans, X.; Font-Altaba, M.
Sodium ion complexes with ethylenediaminetetraacetic acid
Acta Crystallographica Section C
49(8)
(1993)
1452-1456 | 277,834 | 2022-09-14 | 16:39:43 | #------------------------------------------------------------------------------
#$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $
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2,001,434 | 13.326 | 0.004 | 9.353 | 0.003 | 8.478 | 0.003 | 99.71 | 0.03 | 115.41 | 0.03 | 92.34 | 0.03 | 933.1 | 0.6 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C10 H22 N2 Na4 O13 - | - C10 H21 N2 Na4 O13 - | - C20 H42 N4 Na8 O26 - | 2 | 1 | AL1024 | Font-Bardia, M.; Solans, X.; Font-Altaba, M. | Sodium ion complexes with ethylenediaminetetraacetic acid | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1452 | 1456 | 10.1107/S0108270193001350 | 0.71069 | MoKα | null | 0.063 | null | null | 0.063 | null | null | null | null | null | null | null | null | null | has coordinates | Font-Bardia, M.; Solans, X.; Font-Altaba, M.
Sodium ion complexes with ethylenediaminetetraacetic acid
Acta Crystallographica Section C
49(8)
(1993)
1452-1456 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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7,205,626 | 7.986 | 0.0002 | 7.0973 | 0.0002 | 15.2269 | 0.0004 | 90 | null | 100.144 | 0.001 | 90 | null | 849.56 | 0.04 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | C 1 2 1 | C 2y | 5 | yellow polymorph | - C24 H16 O4 - | - C24 H16 O4 - | - C48 H32 O8 - | 2 | 0.5 | Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi | 1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state | CrystEngComm | 2,011 | 13 | 9 | 3170 | 10.1039/c0ce00509f | 1.54178 | CuKα | 0.0254 | 0.0253 | null | null | 0.0671 | 0.0672 | null | null | null | null | null | 1.041 | null | null | has coordinates | Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi
1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state
CrystEngComm
13(9)
(2011)
3170 | 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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2,001,435 | 15.582 | 0.007 | 10.816 | 0.005 | 19.701 | 0.01 | 90 | null | 108.99 | 0.04 | 90 | null | 3,140 | 3 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C32 H30 Cl4 P2 Ru - | - C32 H30 Cl4 P2 Ru - | - C128 H120 Cl16 P8 Ru4 - | 4 | 1 | HH1036 | Suravajjala, S.; Porter, L. C. | Structure of [1,2-bis(diphenylphosphino)ethane]chloro(η^5^-cyclopentadienyl)ruthenium(II) | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1456 | 1458 | 10.1107/S0108270193001386 | 0.71073 | MoKα | null | 4.82 | null | null | 7.5 | null | null | null | null | 0.79 | 0.79 | null | null | null | has coordinates | Suravajjala, S.; Porter, L. C.
Structure of [1,2-bis(diphenylphosphino)ethane]chloro(η^5^-cyclopentadienyl)ruthenium(II)
Acta Crystallographica Section C
49(8)
(1993)
1456-1458 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,436 | 23.125 | 0.007 | 9.131 | 0.002 | 19.36 | 0.005 | 90 | null | 91.01 | 0.03 | 90 | null | 4,087.3 | 1.9 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C13 H2 O13 Ru4 - | - C13 O13 Ru4 - | - C104 O104 Ru32 - | 8 | 2 | ST1022 | Rheingold, A. L. | A new polymorph of tetraruthenium tridecacarbonyl dihydride | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1458 | 1461 | 10.1107/S0108270193000101 | 0.71073 | MoKα | null | 0.056 | null | null | 0.0635 | null | null | null | null | 1.44 | 1.44 | null | null | null | has coordinates | Rheingold, A. L.
A new polymorph of tetraruthenium tridecacarbonyl dihydride
Acta Crystallographica Section C
49(8)
(1993)
1458-1461 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,437 | 16.609 | 0.003 | 13.662 | 0.005 | 17.28 | 0.004 | 90 | null | 101.32 | 0.02 | 90 | null | 3,844.8 | 1.8 | 295 | null | null | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C37 H44 F6 Ir N O6 P2 - | - C37 H44 F9 Ir N O6 P2 - | - C148 H176 F36 Ir4 N4 O24 P8 - | 4 | 1 | HA1031 | Bedford, R. B.; Chaloner, P. A.; Hitchcock, P. B. | Structure of an iridium(I) complex of tris(2,6-dimethoxyphenyl)phosphine, [Ir(C~8~H~12~)(C~5~H~5~N)(P{2,6-(CH~3~O)~2~C~6~H~3~}~3~)][PF~6~] | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1461 | 1463 | 10.1107/S0108270193000253 | 0.71069 | MoKα | null | 0.045 | null | null | 0.047 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Bedford, R. B.; Chaloner, P. A.; Hitchcock, P. B.
Structure of an iridium(I) complex of tris(2,6-dimethoxyphenyl)phosphine, [Ir(C~8~H~12~)(C~5~H~5~N)(P{2,6-(CH~3~O)~2~C~6~H~3~}~3~)][PF~6~]
Acta Crystallographica Section C
49(8)
(1993)
1461-1463 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
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2,001,438 | 10.792 | 0.002 | 11.369 | 0.003 | 13.943 | 0.003 | 86.64 | 0.03 | 95.24 | 0.03 | 101.91 | 0.03 | 1,665.5 | 0.7 | 295 | 1 | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C73 H62 Cl4 N12 O7 Yb2 - | - C73 H62 Cl4 N12 O7 Yb2 - | - C73 H62 Cl4 N12 O7 Yb2 - | 1 | 0.5 | NA1028 | Benetollo, F.; Bombieri, G.; Grillone, M. D. | Structure of [Yb(OH)(C~12~H~8~N~2~)~2~(H~2~O)~2~]~2~Cl~4~.2C~12~H~8~N~2~.CH~3~OH | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1463 | 1465 | 10.1107/S0108270193001131 | 0.71069 | MoKα | null | 0.0158 | null | null | 0.0173 | null | null | null | null | 1.13 | 1.13 | null | null | null | has coordinates | Benetollo, F.; Bombieri, G.; Grillone, M. D.
Structure of [Yb(OH)(C~12~H~8~N~2~)~2~(H~2~O)~2~]~2~Cl~4~.2C~12~H~8~N~2~.CH~3~OH
Acta Crystallographica Section C
49(8)
(1993)
1463-1465 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,439 | 14.484 | 0.002 | 8.48 | 0.001 | 13.087 | 0.001 | 90 | null | 114.753 | 0.007 | 90 | null | 1,459.7 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | null | - C12 H10 Mn N4 O10 - | - C12 H10 Mn N4 O10 - | - C48 H40 Mn4 N16 O40 - | 4 | 0.5 | DU1014 | Nepveu, F.; Berkaoui, M. 'H.; Walz, L. | Structure of bis(hydronium) bis(pyrazine-2,3-dicarboxylato)manganate, a polymeric Mn^II^ complex | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1465 | 1466 | 10.1107/S0108270193003324 | 0.71073 | MoKα | null | 0.0332 | null | null | 0.0242 | null | null | null | null | null | null | null | null | null | has coordinates | Nepveu, F.; Berkaoui, M. 'H.; Walz, L.
Structure of bis(hydronium) bis(pyrazine-2,3-dicarboxylato)manganate, a polymeric Mn^II^ complex
Acta Crystallographica Section C
49(8)
(1993)
1465-1466 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,440 | 12.184 | 0.005 | 12.616 | 0.004 | 15.243 | 0.004 | 99.07 | 0.02 | 91.12 | 0.03 | 112.24 | 0.03 | 2,133.6 | 1.3 | 298 | null | 298 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | μ-1,2-Bis(dicyclohexylphosphino)ethane]- bis[1,2-bis(dicyclohexylphosphino)ethanegold(I)] Bis(dicyanoaurate) | - C82 H144 Au4 N4 P6 - | - C82 H144 Au4 N4 P6 - | - C82 H144 Au4 N4 P6 - | 1 | 0.5 | HH1004 | McCleskey, T. M.; Henling, L. M.; Flanagan, K. A.; Gray, H. B. | Structure of μ-1,2-bis(dicyclohexylphosphino)ethane-bis{[1,2-bis(dicyclohexylphosphino)ethane]gold(I)} bis(dicyanoaurate) | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1467 | 1469 | 10.1107/S0108270193000599 | 0.71073 | MoKα | 0.0424 | 0.0424 | null | 0.0045 | 0.0045 | null | null | null | 1.45 | 1.45 | 1.45 | null | null | null | has coordinates | McCleskey, T. M.; Henling, L. M.; Flanagan, K. A.; Gray, H. B.
Structure of μ-1,2-bis(dicyclohexylphosphino)ethane-bis{[1,2-bis(dicyclohexylphosphino)ethane]gold(I)} bis(dicyanoaurate)
Acta Crystallographica Section C
49(8)
(1993)
1467-1469 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,205,625 | 7.9787 | 0.0002 | 8.0272 | 0.0002 | 15.4271 | 0.0005 | 92.228 | 0.002 | 97.055 | 0.002 | 119.405 | 0.001 | 848.61 | 0.04 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | orange polymorph | - C24 H16 O4 - | - C24 H16 O4 - | - C48 H32 O8 - | 2 | 1 | Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi | 1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state | CrystEngComm | 2,011 | 13 | 9 | 3170 | 10.1039/c0ce00509f | 1.54178 | CuKα | 0.0405 | 0.0345 | null | null | 0.0885 | 0.0977 | null | null | null | null | null | 1.06 | null | null | has coordinates | Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi
1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state
CrystEngComm
13(9)
(2011)
3170 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
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2,001,441 | 15.595 | 0.003 | 24.39 | 0.005 | 11.868 | 0.004 | 104.07 | 0.02 | 74.05 | 0.02 | 95.35 | 0.01 | 4,208.4 | 1.9 | 120 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C106 H90 Cu2 N2 O8 - | - C106 Cu2 N2 O8 - | - C212 Cu4 N4 O16 - | 2 | 1 | AS1031 | Yamanaka, M.; Ohba, S.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M. | Dimeric copper(II) triphenylacetate adducts with 4-picoline | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1469 | 1473 | 10.1107/S010827019300126X | 0.71073 | MoKα | null | 0.078 | null | null | 0.079 | null | null | null | null | 2.2 | 2.2 | null | null | null | has coordinates | Yamanaka, M.; Ohba, S.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.
Dimeric copper(II) triphenylacetate adducts with 4-picoline
Acta Crystallographica Section C
49(8)
(1993)
1469-1473 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
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2,001,442 | 15.569 | 0.002 | 24.619 | 0.004 | 12.005 | 0.003 | 103.75 | 0.02 | 73.62 | 0.01 | 95.94 | 0.01 | 4,284.9 | 1.5 | 290 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C104 H86 Cu2 N2 O8 - | - C104 Cu2 N2 O8 - | - C208 Cu4 N4 O16 - | 2 | 1 | AS1031 | Yamanaka, M.; Ohba, S.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M. | Dimeric copper(II) triphenylacetate adducts with 4-picoline | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1469 | 1473 | 10.1107/S010827019300126X | 0.71073 | MoKα | null | 0.091 | null | null | 0.079 | null | null | null | null | 1.99 | 1.99 | null | null | null | has coordinates | Yamanaka, M.; Ohba, S.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.
Dimeric copper(II) triphenylacetate adducts with 4-picoline
Acta Crystallographica Section C
49(8)
(1993)
1469-1473 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
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2,001,443 | 8.2306 | 0.001 | 22.4835 | 0.0019 | 13.5614 | 0.0013 | 90 | null | 97.906 | 0.009 | 90 | null | 2,485.7 | 0.4 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Chloro(trimesitylphosphine)gold(I) | Chloro(trimesitylphosphine)gold(I) | - C27 H33 Au Cl P - | - C27 H33 Au Cl P - | - C108 H132 Au4 Cl4 P4 - | 4 | 1 | AB1050 | Alyea, E. C.; Ferguson, G.; Gallagher, J. F.; Malito, J. | Chloro(trimesitylphosphine)gold(I) | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1473 | 1476 | 10.1107/S0108270192012757 | 0.7093 | MolybdenumKα | 0.077 | 0.032 | null | 0.039 | 0.032 | null | null | null | null | 1.13 | 1.13 | null | null | null | has coordinates | Alyea, E. C.; Ferguson, G.; Gallagher, J. F.; Malito, J.
Chloro(trimesitylphosphine)gold(I)
Acta Crystallographica Section C
49(8)
(1993)
1473-1476 | 191,032 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,444 | 17.792 | 0.018 | 16.491 | 0.018 | 24.28 | 0.04 | 90 | null | 94.01 | 0.1 | 90 | null | 7,107 | 16 | 293 | null | null | null | null | null | null | null | 7 | C 1 c 1 | C -2yc | null | - C40 H27 Cu2 N9 O0.5 S0.9 Se1.1 - | - C40 Cu2 N10 O0.5 Se2 - | - C320 Cu16 N80 O4 Se16 - | 8 | 2 | KA1017 | Dunaj-Jurčo, M.; Kabešová, M.; Kettmann, V.; Císařová, I.; Mikloš, D. | Structure of a mixed-valence copper complex with 1,10-phenanthroline and pseudohalogenide ligands | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1476 | 1479 | 10.1107/S0108270193000745 | 0.71069 | MoKα | null | 0.065 | null | null | 0.056 | null | null | null | null | 2.16 | 2.16 | null | null | null | has coordinates | Dunaj-Jurčo, M.; Kabešová, M.; Kettmann, V.; Císařová, I.; Mikloš, D.
Structure of a mixed-valence copper complex with 1,10-phenanthroline and pseudohalogenide ligands
Acta Crystallographica Section C
49(8)
(1993)
1476-1479 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,001,445 | 11.483 | 0.015 | 12.066 | 0.015 | 15.586 | 0.008 | 107.32 | 0.1 | 107.11 | 0.09 | 106.79 | 0.09 | 1,795 | 4 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C39 H34 Cu2 N9 O5 - | - C39 H34 Cu2 N9 O5 - | - C78 H68 Cu4 N18 O10 - | 2 | 1 | KA1018 | Dunaj-Jurčo, M.; Potočňák, I.; Cíbik, J.; Kabešová, M.; Kettmann, V.; Mikloš, D. | Mixed-valence Cu^I^–Cu^II^ complexes. Structure of cyanobis(1,10-phenanthroline)copper(II) bis(cyano)(1,10-phenanthroline)cuprate(I) pentahydrate | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1479 | 1482 | 10.1107/S0108270193001775 | 0.71069 | MoKα | null | 0.058 | null | null | 0.051 | null | null | null | null | 1.61 | 1.61 | null | null | null | has coordinates | Dunaj-Jurčo, M.; Potočňák, I.; Cíbik, J.; Kabešová, M.; Kettmann, V.; Mikloš, D.
Mixed-valence Cu^I^–Cu^II^ complexes. Structure of cyanobis(1,10-phenanthroline)copper(II) bis(cyano)(1,10-phenanthroline)cuprate(I) pentahydrate
Acta Crystallographica Section C
49(8)
(1993)
1479-1482 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
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7,205,624 | 20.0585 | 0.0004 | 9.71812 | 0.00017 | 13.84077 | 0.00026 | 90 | null | 90 | null | 90 | null | 2,697.99 | 0.09 | 20 | null | 20 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | from C:/data/powder/koshima_ipbp/irr/rietveld/ipbp_irr_rrr.cif | - C31 H37 N O2 - | - C31 H37 N O2 - | - C124 H148 N4 O8 - | 4 | 1 | Fujii, Kotaro; Uekusa, Hidehiro; Fukano, Michitaro; Koshima, Hideko | Metastable polymorphic form of isopropylbenzophenone derivative directly obtained by the solid-state photoreaction investigated by ab initio powder X-ray diffraction analysis | CrystEngComm | 2,011 | 13 | 9 | 3197 | 10.1039/c0ce00500b | powder diffraction | x-ray | 1.19751 | null | null | null | null | null | null | 0.0957 | null | 4.53 | null | null | null | null | null | has coordinates | Fujii, Kotaro; Uekusa, Hidehiro; Fukano, Michitaro; Koshima, Hideko
Metastable polymorphic form of isopropylbenzophenone derivative directly obtained by the solid-state photoreaction investigated by ab initio powder X-ray diffraction analysis
CrystEngComm
13(9)
(2011)
3197 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
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2,001,446 | 13.239 | 0.001 | 13.239 | 0.001 | 18.4 | 0.002 | 90 | null | 90 | null | 90 | null | 3,225 | 0.5 | 293 | 1 | 133 | 1 | null | null | null | null | 5 | P -4 21 c | P -4 2n | 114 | Di-sodium-hexasulfido-bis(pentamethyldiethylendiamine) | - C18 H46 N6 Na2 S6 - | - C18 H46 N6 Na2 S6 - | - C72 H184 N24 Na8 S24 - | 4 | 0.5 | HL1023 | Besser, S.; Herbst-Irmer, R.; Stalke, D.; Brooker, A. T.; Snaith, R.; Wright, D. S. | Structure of bis(pentamethyldiethylenetriamine)disodium hexasulfide | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1482 | 1483 | 10.1107/S0108270193001167 | 0.71073 | MoKα | 0.033 | 0.0269 | null | 0.0616 | 0.057 | null | null | null | 1.08 | 1.057 | 1.057 | null | null | null | has coordinates | Besser, S.; Herbst-Irmer, R.; Stalke, D.; Brooker, A. T.; Snaith, R.; Wright, D. S.
Structure of bis(pentamethyldiethylenetriamine)disodium hexasulfide
Acta Crystallographica Section C
49(8)
(1993)
1482-1483 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,001,447 | 23.586 | 0.008 | 12.584 | 0.002 | 14.54 | 0.005 | 90 | null | 93.83 | 0.03 | 90 | null | 4,306 | 2 | 293 | null | null | null | null | null | null | null | 8 | C 1 2/c 1 | -C 2yc | null | - C36 H54 Cl2 Hg N2 O8 P2 Ru2 - | - C36 H54 Cl2 Hg N2 O8 P2 Ru2 - | - C144 H216 Cl8 Hg4 N8 O32 P8 Ru8 - | 4 | 0.5 | HU1035 | García-Granda, S.; Van der Maelen Uría, J. F.; Cabeza, J. A.; Fernández-Colinas, J. M.; Riera, V. | Structure of μ-[bis(chloroacetato-<i>O</i>)-mercury(II)-κ^2^<i>Hg</i>]-μ-[1,8-naphthalenediamino-κ^2^<i>NN</i>':κ^2^<i>NN</i>']-bis[<i>cis</i>-dicarbonyl(triisopropylphosphine-<i>P</i>)ruthenium(I)](<i>Ru</i>‒<i>Ru</i>) | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1483 | 1485 | 10.1107/S010827019300160X | 0.71073 | MoKα | null | 0.033 | null | null | 0.034 | null | null | null | null | null | null | null | null | null | has coordinates | García-Granda, S.; Van der Maelen Uría, J. F.; Cabeza, J. A.; Fernández-Colinas, J. M.; Riera, V.
Structure of μ-[bis(chloroacetato-<i>O</i>)-mercury(II)-κ^2^<i>Hg</i>]-μ-[1,8-naphthalenediamino-κ^2^<i>NN</i>':κ^2^<i>NN</i>']-bis[<i>cis</i>-dicarbonyl(triisopropylphosphine-<i>P</i>)ruthenium(I)](<i>Ru</i>‒<i>Ru</i>)
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7,205,623 | 5.728 | 0.001 | 22.789 | 0.004 | 11.111 | 0.002 | 90 | null | 116.9 | 0.03 | 90 | null | 1,293.4 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1,3-benzenediol:Isoquinolin-3(2H)-one | - C15 H13 N O3 - | - C15 H13 N O3 - | - C60 H52 N4 O12 - | 4 | 1 | Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem | Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds | CrystEngComm | 2,011 | 13 | 9 | 3181 | 10.1039/c0ce00489h | 0.71073 | MoKα | 0.1014 | 0.0511 | null | null | 0.1478 | 0.1748 | null | null | null | null | null | 0.847 | null | null | has coordinates | Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem
Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds
CrystEngComm
13(9)
(2011)
3181 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
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2,001,448 | 9.917 | 0.003 | 10.309 | 0.002 | 18.695 | 0.01 | 90 | null | 99.17 | 0.03 | 90 | null | 1,886.8 | 1.2 | 300 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C8 H22 Cl2 N4 Ni O12 - | - C8 H22 Cl2 N4 Ni O12 - | - C32 H88 Cl8 N16 Ni4 O48 - | 4 | 1 | LI1039 | Lee, T.-J.; Wang, A.; Chi, T.-Y.; Chung, C.-S. | Structure of diaqua(4,7-diazadecanediamide-<i>N</i>^4^,<i>N</i>^7^,<i>O</i>,<i>O</i>')nickel(II) perchlorate | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1485 | 1487 | 10.1107/S0108270193001246 | 0.71073 | MoKα | null | 0.0552 | null | null | 0.0556 | null | null | null | null | 1.78 | 1.78 | null | null | null | has coordinates | Lee, T.-J.; Wang, A.; Chi, T.-Y.; Chung, C.-S.
Structure of diaqua(4,7-diazadecanediamide-<i>N</i>^4^,<i>N</i>^7^,<i>O</i>,<i>O</i>')nickel(II) perchlorate
Acta Crystallographica Section C
49(8)
(1993)
1485-1487 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,449 | 10.76 | 0.003 | 6.763 | 0.003 | 23.722 | 0.006 | 90 | null | 93.05 | 0.02 | 90 | null | 1,723.8 | 1 | 295 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C24 H8 Cu2 F24 N2 O8 - | - C24 H8 Cu2 F24 N2 O8 - | - C48 H16 Cu4 F48 N4 O16 - | 2 | 0.5 | HH1035 | Romero, R. R.; Porter, L. C. | Structure of μ-pyrazine-bis[bis(hexafluoroacetylacetonato)copper(II)] | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1487 | 1489 | 10.1107/S0108270193001854 | 0.71073 | MoKα | null | 0.0745 | null | null | 0.0591 | null | null | null | null | 0.96 | 0.96 | null | null | null | has coordinates | Romero, R. R.; Porter, L. C.
Structure of μ-pyrazine-bis[bis(hexafluoroacetylacetonato)copper(II)]
Acta Crystallographica Section C
49(8)
(1993)
1487-1489 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,450 | 10.799 | 0.003 | 10.676 | 0.005 | 19.894 | 0.004 | 90 | null | 97.13 | 0.02 | 90 | null | 2,275.8 | 1.3 | 294 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C19 H36 K N O Si - | - C19 H36 K N O Si - | - C76 H144 K4 N4 O4 Si4 - | 4 | 1 | HH1051 | Schaefer, W. P.; Cotter, W. D.; Bercaw, J. E. | The monopotassium salt of the ligand of a Ziegler–Natta catalyst | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1489 | 1492 | 10.1107/S0108270193001842 | 0.71073 | MoKα | null | 0.064 | null | null | 0.013 | null | null | null | null | 3.36 | 3.36 | null | null | null | has coordinates | Schaefer, W. P.; Cotter, W. D.; Bercaw, J. E.
The monopotassium salt of the ligand of a Ziegler–Natta catalyst
Acta Crystallographica Section C
49(8)
(1993)
1489-1492 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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2,001,451 | 9.938 | 0.002 | 8.579 | 0.003 | 14.783 | 0.003 | 90 | null | 93.53 | 0.02 | 90 | null | 1,258 | 0.6 | 297 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C16 H28 O6 P4 Re2 - | - C8 H14 O3 P2 Re - | - C16 H28 O6 P4 Re2 - | 2 | 1 | HH1037 | Tyler, D. R.; Weakley, T. J. R. | A second crystal form of bis-μ-[bis(dimethylphosphino)methane]-bis(tricarbonylrhenium)(<i>Re</i>‒<i>Re</i>), Re~2~(dmpm)~2~(CO)~6~ | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1492 | 1493 | 10.1107/S0108270193001696 | 0.71069 | MoKα | null | 0.031 | null | null | 0.038 | null | null | null | null | 1.55 | 1.55 | null | null | null | has coordinates | Tyler, D. R.; Weakley, T. J. R.
A second crystal form of bis-μ-[bis(dimethylphosphino)methane]-bis(tricarbonylrhenium)(<i>Re</i>‒<i>Re</i>), Re~2~(dmpm)~2~(CO)~6~
Acta Crystallographica Section C
49(8)
(1993)
1492-1493 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
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2,001,452 | 10.538 | 0.003 | 19.21 | 0.004 | 8.686 | 0.002 | 90 | null | 101.56 | 0.04 | 90 | null | 1,722.7 | 0.8 | 298 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C12 H12 As Cl3 F6 Ru2 - | - C12 H12 As Cl3 F6 Ru2 - | - C48 H48 As4 Cl12 F24 Ru8 - | 4 | 1 | ST1045 | McCormick, F. B.; Gleason, W. B. | Structure of tri-μ-chloro-bis[(η^6^-benzene)ruthenium(II)] hexafluoroarsenate | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1493 | 1496 | 10.1107/S0108270193001490 | 0.71073 | MoKα | null | 0.041 | null | null | 0.052 | null | null | null | null | 2.15 | 2.15 | null | null | null | has coordinates | McCormick, F. B.; Gleason, W. B.
Structure of tri-μ-chloro-bis[(η^6^-benzene)ruthenium(II)] hexafluoroarsenate
Acta Crystallographica Section C
49(8)
(1993)
1493-1496 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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7,205,622 | 13.372 | 0.003 | 7.167 | 0.001 | 28.248 | 0.006 | 90 | null | 108.79 | 0.03 | 90 | null | 2,562.9 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Cyclohexane-1,2,4,5-tetracarboxylic acid:2(Isoquinolin-3(2H)-one),H2O | - C28 H28 N2 O11 - | - C28 H28 N2 O11 - | - C112 H112 N8 O44 - | 4 | 1 | Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem | Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds | CrystEngComm | 2,011 | 13 | 9 | 3181 | 10.1039/c0ce00489h | 0.71073 | MoKα | 0.113 | 0.0501 | null | null | 0.1242 | 0.1428 | null | null | null | null | null | 0.925 | null | null | has coordinates | Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem
Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds
CrystEngComm
13(9)
(2011)
3181 | 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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2,001,453 | 26.119 | 0.009 | 4.989 | 0.002 | 11.91 | 0.007 | 90 | null | 106.29 | 0.04 | 90 | null | 1,489.7 | 1.2 | 293 | null | null | null | null | null | null | null | 5 | P 1 2/c 1 | -P 2yc | 13 | - C14 H12 Cl2 O6 Zn - | - C7 H6 Cl O3 Zn0.5 - | - C28 H24 Cl4 O12 Zn2 - | 4 | 1 | KA1020 | Potočňák, I.; Dunaj-Jurčo, M.; Černák, J. | Structure of diaquabis(4-chlorobenzoato)zinc(II) | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1496 | 1498 | 10.1107/S0108270193001398 | 0.71069 | MoKα | null | 0.04 | null | null | 0.0409 | null | null | null | null | 0.363 | 0.363 | null | null | null | has coordinates | Potočňák, I.; Dunaj-Jurčo, M.; Černák, J.
Structure of diaquabis(4-chlorobenzoato)zinc(II)
Acta Crystallographica Section C
49(8)
(1993)
1496-1498 | 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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2,001,454 | 24.375 | 0.009 | 9.791 | 0.006 | 16.127 | 0.006 | 90 | null | 115.66 | 0.03 | 90 | null | 3,469 | 3 | 293 | null | null | null | null | null | null | null | 7 | P 1 2/c 1 | -P 2yc | 13 | - C36 H30 Cl I2 O P2 Re - | - C18 H15 Cl0.5 I O0.5 P Re0.5 - | - C72 H60 Cl2 I4 O2 P4 Re2 - | 4 | 1 | CD1027 | Rossi, S.; Bélanger, S.; Lebuis, A.-M.; Beauchamp, A. L. | Structure of (<i>OC</i>-6-14)-chlorodiiodooxobis(triphenylphosphine)rhenium(V) | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1498 | 1500 | 10.1107/S0108270193001441 | 0.71069 | MoKα | null | 0.038 | null | null | 0.048 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Rossi, S.; Bélanger, S.; Lebuis, A.-M.; Beauchamp, A. L.
Structure of (<i>OC</i>-6-14)-chlorodiiodooxobis(triphenylphosphine)rhenium(V)
Acta Crystallographica Section C
49(8)
(1993)
1498-1500 | 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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2,001,455 | 7.3138 | 0.0005 | 10.6101 | 0.0006 | 21.2238 | 0.0011 | 90 | null | 94.443 | 0.005 | 90 | null | 1,642.02 | 0.17 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | rel(1S,2R,4R,6S,9S,10R,11S)-4-methoxycarbonyl-1-methyl-tricyclo [7.4.0.0^2,6^]tridec-7-ene-10,11-diol-4,2-carbolactone monohydrate | - C17 H24 O7 - | - C17 H24 O7 - | - C68 H96 O28 - | 4 | 1 | CD1039 | Michel, A. G.; Drouin, M. | Functionalized hydrocarbons with condensed ring skeletons. XIII. A substituted 1-methyltricyclo[7.4.0.0^2,6^]tridec-7-ene | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1500 | 1502 | 10.1107/S0108270193001726 | 0.7093 | MolybdenumKα | 0.073 | 0.04 | null | 0.037 | 0.033 | null | null | null | null | 1.62 | 1.62 | null | null | null | has coordinates | Michel, A. G.; Drouin, M.
Functionalized hydrocarbons with condensed ring skeletons. XIII. A substituted 1-methyltricyclo[7.4.0.0^2,6^]tridec-7-ene
Acta Crystallographica Section C
49(8)
(1993)
1500-1502 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,456 | 8.906 | 0.003 | 9.826 | 0.003 | 28.039 | 0.008 | 90 | null | 90 | null | 90 | null | 2,453.7 | 1.3 | 293 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | null | - C27 H30 Br N O2 - | - C27 H30 Br N O2 - | - C108 H120 Br4 N4 O8 - | 4 | 1 | HA0113 | Barlow, R. B.; Howard, J. A. K.; Batsanov, A. S.; O'Shea, D.; Rathbone, D. L. | Structures of <i>N</i>-benzyl- and <i>N</i>-cyclohexylmethyl-4-(diphenylacetoxy)piperidines | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1502 | 1507 | 10.1107/S0108270193000174 | 0.71069 | MoKα | null | 0.078 | null | null | 0.068 | null | null | null | null | 1.49 | 1.49 | null | null | null | has coordinates | Barlow, R. B.; Howard, J. A. K.; Batsanov, A. S.; O'Shea, D.; Rathbone, D. L.
Structures of <i>N</i>-benzyl- and <i>N</i>-cyclohexylmethyl-4-(diphenylacetoxy)piperidines
Acta Crystallographica Section C
49(8)
(1993)
1502-1507 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,457 | 7.052 | 0.002 | 12.159 | 0.001 | 13.858 | 0.003 | 94.12 | 0.01 | 90.96 | 0.02 | 94.06 | 0.02 | 1,181.9 | 0.4 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C26 H28 Br N O2 - | - C26 H28 Br N O2 - | - C52 H56 Br2 N2 O4 - | 2 | 1 | HA0113 | Barlow, R. B.; Howard, J. A. K.; Batsanov, A. S.; O'Shea, D.; Rathbone, D. L. | Structures of <i>N</i>-benzyl- and <i>N</i>-cyclohexylmethyl-4-(diphenylacetoxy)piperidines | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1502 | 1507 | 10.1107/S0108270193000174 | 0.71069 | MoKα | null | 0.031 | null | null | 0.04 | null | null | null | null | 1 | 1 | null | null | null | has coordinates | Barlow, R. B.; Howard, J. A. K.; Batsanov, A. S.; O'Shea, D.; Rathbone, D. L.
Structures of <i>N</i>-benzyl- and <i>N</i>-cyclohexylmethyl-4-(diphenylacetoxy)piperidines
Acta Crystallographica Section C
49(8)
(1993)
1502-1507 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,621 | 25.479 | 0.003 | 8.1154 | 0.0008 | 17.987 | 0.002 | 90 | null | 90 | null | 90 | null | 3,719.2 | 0.7 | 286 | 2 | 286 | 2 | null | null | null | null | 4 | P b c n | -P 2n 2ab | 60 | 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(dimer of Isoquinolin-3(2H)-one) | - C48 H36 N2 O4 - | - C48 H22 N2 O4 - | - C192 H88 N8 O16 - | 4 | 0.5 | Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem | Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds | CrystEngComm | 2,011 | 13 | 9 | 3181 | 10.1039/c0ce00489h | 0.71073 | MoKα | 0.1681 | 0.0901 | null | null | 0.2565 | 0.3356 | null | null | null | null | null | 1.077 | null | null | has coordinates | Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem
Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds
CrystEngComm
13(9)
(2011)
3181 | 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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2,001,458 | 5.833 | 0.003 | 35.11 | 0.02 | 11.828 | 0.006 | 90 | null | 101.31 | 0.04 | 90 | null | 2,375 | 2 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C26 H34 Cl N O2 - | - C30 H23 Cl N O2 - | - C120 H92 Cl4 N4 O8 - | 4 | 1 | HA0113 | Barlow, R. B.; Howard, J. A. K.; Batsanov, A. S.; O'Shea, D.; Rathbone, D. L. | Structures of <i>N</i>-benzyl- and <i>N</i>-cyclohexylmethyl-4-(diphenylacetoxy)piperidines | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1502 | 1507 | 10.1107/S0108270193000174 | 0.71069 | MoKα | null | 0.078 | null | null | 0.09 | null | null | null | null | 2.61 | 2.61 | null | null | null | has coordinates | Barlow, R. B.; Howard, J. A. K.; Batsanov, A. S.; O'Shea, D.; Rathbone, D. L.
Structures of <i>N</i>-benzyl- and <i>N</i>-cyclohexylmethyl-4-(diphenylacetoxy)piperidines
Acta Crystallographica Section C
49(8)
(1993)
1502-1507 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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2,001,459 | 7.6958 | 0.0004 | 9.4503 | 0.0006 | 19.4832 | 0.0008 | 90 | null | 90 | null | 90 | null | 1,416.97 | 0.13 | 300 | null | null | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | null | - C10 H12 I N O6 S - | - C10 H12 I N O6 S - | - C40 H48 I4 N4 O24 S4 - | 4 | 1 | ST1041 | Sun, G.; Fronczek, F. R.; Gandour, R. D. | (<i>R</i>)-2-Hydroxy-3-iodo-2-methylpropyl 4-nitrobenzenesulfonate | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1507 | 1509 | 10.1107/S0108270193000344 | 0.71073 | MoKα | null | 0.032 | null | null | 0.04 | null | null | null | null | 2.139 | 2.139 | null | null | null | has coordinates | Sun, G.; Fronczek, F. R.; Gandour, R. D.
(<i>R</i>)-2-Hydroxy-3-iodo-2-methylpropyl 4-nitrobenzenesulfonate
Acta Crystallographica Section C
49(8)
(1993)
1507-1509 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,460 | 10.159 | 0.002 | 13.533 | 0.005 | 10.016 | 0.003 | 108.1 | 0.02 | 102.92 | 0.02 | 96.3 | 0.02 | 1,251.6 | 0.7 | 296.15 | null | 296.15 | null | null | null | null | null | 4 | P 1 | P 1 | 1 | (1S,3S)-3-acetyl-5-methoxy-3-methylthio-1,2,3,4- tetrahydronaphthalene-1,8-diyl di(benzoate) | - C28 H26 O6 S - | - C28 H26 O6 S - | - C56 H52 O12 S2 - | 2 | 2 | AS1040 | Kamei, S.; Sakai, Y.; Ohashi, Y.; Adachi, A.; Tanino, K.; Kuwajima, I. | Structure of an optically active anthracycline precursor | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1509 | 1511 | 10.1107/S0108270193000988 | 1.54184 | CuKα | null | 0.0425 | null | null | 0.0556 | null | null | null | null | 2.45 | 2.45 | null | null | null | has coordinates | Kamei, S.; Sakai, Y.; Ohashi, Y.; Adachi, A.; Tanino, K.; Kuwajima, I.
Structure of an optically active anthracycline precursor
Acta Crystallographica Section C
49(8)
(1993)
1509-1511 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,461 | 25.126 | 0.004 | 18.96 | 0.002 | 11.014 | 0.002 | 90 | null | 94.22 | 0.01 | 90 | null | 5,232.7 | 1.4 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | α-phenyl-4'-bis(4-methylphenyl)-amino-stilbene | - C34 H29 N - | - C34 H29 N - | - C272 H232 N8 - | 8 | 2 | AS1045 | Chiba, E. | Structures of α-phenyl-amino-stilbene derivatives | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1511 | 1514 | 10.1107/S0108270193002057 | 1.5418 | CuKα | 0.079 | 0.079 | null | 0.076 | 0.076 | null | null | null | 2.29 | 2.29 | 2.29 | null | null | null | has coordinates | Chiba, E.
Structures of α-phenyl-amino-stilbene derivatives
Acta Crystallographica Section C
49(8)
(1993)
1511-1514 | 278,158 | 2022-09-26 | 15:28:11 | #------------------------------------------------------------------------------
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2,001,462 | 21.595 | 0.005 | 10.311 | 0.003 | 11.206 | 0.001 | 90 | null | 97.44 | 0.03 | 90 | null | 2,474.2 | 1 | 296 | null | 296 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | α-phenyl-N-phenyl-N-(4-methoxyphenyl)-4'-amino-stilbene | - C33 H27 N O - | - C33 H27 N O - | - C132 H108 N4 O4 - | 4 | 1 | AS1045 | Chiba, E. | Structures of α-phenyl-amino-stilbene derivatives | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1511 | 1514 | 10.1107/S0108270193002057 | 1.5418 | CuKα | 0.053 | 0.053 | null | 0.047 | 0.047 | null | null | null | 1.19 | 1.19 | 1.19 | null | null | null | has coordinates | Chiba, E.
Structures of α-phenyl-amino-stilbene derivatives
Acta Crystallographica Section C
49(8)
(1993)
1511-1514 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,463 | 11.015 | 0.003 | 12.87 | 0.001 | 10.575 | 0.001 | 90 | null | 94.78 | 0.01 | 90 | null | 1,493.9 | 0.4 | 297 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 3,4,5,8,9,10-hexamethyl-1,2,5,8-dithiadiazecine-6,7(5H,8H)- dione | - C12 H18 N2 O2 S2 - | - C12 H18 N2 O2 S2 - | - C48 H72 N8 O8 S8 - | 4 | 1 | AS1048 | Yamaguchi, K.; Itoh, T.; Nagata, K.; Okada, M.; Ohsawa, A. | Two novel ten-membered ring compounds: 1,2,5,8-dithiadiazecine-6,7-diones | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1514 | 1517 | 10.1107/S010827019300099X | 1.5405 | CuKα~1~ | null | 0.0396 | null | null | 0.0464 | null | null | null | null | 1.458 | 1.458 | null | null | null | has coordinates | Yamaguchi, K.; Itoh, T.; Nagata, K.; Okada, M.; Ohsawa, A.
Two novel ten-membered ring compounds: 1,2,5,8-dithiadiazecine-6,7-diones
Acta Crystallographica Section C
49(8)
(1993)
1514-1517 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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7,205,620 | 25.4736 | 0.0009 | 8.5626 | 0.0003 | 16.9318 | 0.0006 | 90 | null | 90 | null | 90 | null | 3,693.2 | 0.2 | 260 | 2 | 260 | 2 | null | null | null | null | 4 | P b c n | -P 2n 2ab | 60 | 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(Isoquinolin-3(2H)-one) | - C48 H36 N2 O4 - | - C48 H36 N2 O4 - | - C192 H144 N8 O16 - | 4 | 0.5 | Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem | Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds | CrystEngComm | 2,011 | 13 | 9 | 3181 | 10.1039/c0ce00489h | 0.71073 | MoKα | 0.0716 | 0.042 | null | null | 0.1009 | 0.1214 | null | null | null | null | null | 1.008 | null | null | has coordinates | Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem
Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds
CrystEngComm
13(9)
(2011)
3181 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,001,464 | 10.344 | 0.003 | 11.27 | 0.003 | 12.361 | 0.004 | 102.63 | 0.03 | 106.08 | 0.03 | 115.82 | 0.02 | 1,146.5 | 0.8 | 293 | 1 | 173 | 1 | null | null | null | null | 2 | P -1 | -P 1 | 2 | 15,16-Bis(dispiro[2.0.2.1]hept-7-ylidene)hexaspiro[2.0.2.0.0.0. 2.0.2.0.2.0]hexadecane | - C30 H32 - | - C30 H32 - | - C60 H64 - | 2 | 1 | HU1043 | Yufit, D. S.; Struchkov, Yu. T.; Kozhushkov, S. I.; De Meijere, A. | 15,16-Bis(dispiro[2.0.2.1]hept-7-ylidene)hexaspiro[2.0.2.0.0.0.2.0.2.0.2.0]hexadecane, C~30~H~32~ | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1517 | 1519 | 10.1107/S0108270193000472 | 0.71073 | MoKα | 0.0703 | 0.0489 | null | 0.1435 | 0.1142 | null | null | null | 0.99 | 0.954 | 0.954 | null | null | null | has coordinates | Yufit, D. S.; Struchkov, Yu. T.; Kozhushkov, S. I.; De Meijere, A.
15,16-Bis(dispiro[2.0.2.1]hept-7-ylidene)hexaspiro[2.0.2.0.0.0.2.0.2.0.2.0]hexadecane, C~30~H~32~
Acta Crystallographica Section C
49(8)
(1993)
1517-1519 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,465 | 18.456 | 0.002 | 24.097 | 0.003 | 7.54 | 0.001 | 90 | null | 91.8 | 0.1 | 90 | null | 3,351.6 | 0.7 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C20 H22 N2 O - | - C20 H22 N2 O - | - C160 H176 N16 O8 - | 8 | 2 | LI1040 | Priya, V.; Shamala, N.; Viswamitra, M. A.; Ravindran, T.; Jeyaraman, R. | Structure of <i>N</i>-nitroso-2,4-diphenyl-3-azabicyclo[3.3.1]nonane | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1519 | 1522 | 10.1107/S0108270193001258 | 1.5418 | CuKα | null | 0.045 | null | null | 0.045 | null | null | null | null | 1.362 | 1.362 | null | null | null | has coordinates | Priya, V.; Shamala, N.; Viswamitra, M. A.; Ravindran, T.; Jeyaraman, R.
Structure of <i>N</i>-nitroso-2,4-diphenyl-3-azabicyclo[3.3.1]nonane
Acta Crystallographica Section C
49(8)
(1993)
1519-1522 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,466 | 12.491 | 0.008 | 11.85 | 0.004 | 8.068 | 0.003 | 90 | null | 103.41 | 0.05 | 90 | null | 1,161.7 | 1 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | dibenzoylmethane | 1,3-diphenyl-1,3-propanedione | - C15 H12 O2 - | - C15 H12 O2 - | - C60 H48 O8 - | 4 | 1 | KA1028 | Kaitner, B.; Meštrović, E. | Structure of a new crystal modification of 1,3-diphenyl-1,3-propanedione | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1523 | 1525 | 10.1107/S0108270193001787 | 0.7093 | MoKα | null | 0.042 | null | null | 0.045 | null | null | null | null | 0.967 | 0.967 | null | null | null | has coordinates | Kaitner, B.; Meštrović, E.
Structure of a new crystal modification of 1,3-diphenyl-1,3-propanedione
Acta Crystallographica Section C
49(8)
(1993)
1523-1525 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,001,467 | 4.8238 | 0.0015 | 7.51 | 0.002 | 11.915 | 0.004 | 84.37 | 0.02 | 80.74 | 0.02 | 78.18 | 0.02 | 416 | 0.2 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C7 H6.5 Cl0.5 N2 O2 - | - C14 H13 Cl N4 O6 - | - C14 H13 Cl N4 O6 - | 1 | 0.5 | GR1005 | Horan, C. J.; Haney, P. E.; Barnes, C. L.; Glaser, R. | Symmetrically H-bridged dimer of 2-carboxylatobenzenediazonium. The 1:1 complex between 2-carboxybenzenediazonium chloride and benzenediazonium-2-carboxylate | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1525 | 1528 | 10.1107/S0108270193001040 | 0.71073 | Mo | null | 0.058 | null | null | 0.075 | null | null | null | null | 1.84 | 1.84 | null | null | null | has coordinates | Horan, C. J.; Haney, P. E.; Barnes, C. L.; Glaser, R.
Symmetrically H-bridged dimer of 2-carboxylatobenzenediazonium. The 1:1 complex between 2-carboxybenzenediazonium chloride and benzenediazonium-2-carboxylate
Acta Crystallographica Section C
49(8)
(1993)
1525-1528 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,001,468 | 10.922 | 0.003 | 18.858 | 0.005 | 11.701 | 0.004 | 90 | null | 104.6 | 0.03 | 90 | null | 2,332.2 | 1.2 | 293 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C21 H32 N2 O5 - | - C21 H32 N2 O5 - | - C84 H128 N8 O20 - | 4 | 2 | AS1034 | Doi, M.; In, Y.; Ikuma, K.; Inoue, M.; Ishida, T. | Structure of Boc-Phe-<small>D</small>-Leu-OMe | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1528 | 1530 | 10.1107/S0108270193002045 | 1.5418 | CuKα | null | 0.053 | null | null | 0.057 | null | null | null | null | 1.505 | 1.505 | null | null | null | has coordinates | Doi, M.; In, Y.; Ikuma, K.; Inoue, M.; Ishida, T.
Structure of Boc-Phe-<small>D</small>-Leu-OMe
Acta Crystallographica Section C
49(8)
(1993)
1528-1530 | 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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7,205,619 | 26.761 | 0.008 | 9.111 | 0.003 | 16.998 | 0.006 | 90 | null | 114.443 | 0.009 | 90 | null | 3,773 | 2 | 286 | 2 | 286 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol: 2(dimer of Isoquinolin-3(2H)-one) | - C48 H36 N2 O4 - | - C48 H22 N2 O4 - | - C192 H88 N8 O16 - | 4 | 0.5 | Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem | Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds | CrystEngComm | 2,011 | 13 | 9 | 3181 | 10.1039/c0ce00489h | 0.71073 | MoKα | 0.2198 | 0.0879 | null | null | 0.2394 | 0.3502 | null | null | null | null | null | 0.926 | null | null | has coordinates | Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem
Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds
CrystEngComm
13(9)
(2011)
3181 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
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2,001,469 | 29.807 | 0.01 | 9.469 | 0.002 | 11.515 | 0.002 | 90 | null | 90 | null | 90 | null | 3,250 | 1.4 | 293 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C28 H46 N4 O8 - | - C28 H46 N4 O8 - | - C112 H184 N16 O32 - | 4 | 1 | AS1046 | Doi, M.; In, Y.; Tanaka, M.; Inoue, M.; Ishida, T. | Structure of Boc-Phe-<small>D</small>-Leu-Thr-OMe | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1530 | 1532 | 10.1107/S0108270193002069 | 1.5418 | CuKα | null | 0.058 | null | null | 0.065 | null | null | null | null | 0.804 | 0.804 | null | null | null | has coordinates | Doi, M.; In, Y.; Tanaka, M.; Inoue, M.; Ishida, T.
Structure of Boc-Phe-<small>D</small>-Leu-Thr-OMe
Acta Crystallographica Section C
49(8)
(1993)
1530-1532 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,470 | 15.722 | 0.003 | 3.906 | 0.001 | 21.969 | 0.004 | 90 | null | 99.44 | 0.02 | 90 | null | 1,330.8 | 0.5 | 298 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C19 H13 N O - | - C19 H13 N O - | - C76 H52 N4 O4 - | 4 | 1 | LI1036 | Yip, B.-C.; Fun, H.-K.; Teoh, S.-G.; Shawkataly, O. B. | Structure of 2-(1-naphthyl)-5-phenyl-1,3-oxazole (α-NPO) | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1532 | 1534 | 10.1107/S0108270193001192 | 0.71069 | MoKα | null | 0.0382 | null | null | 0.0338 | null | null | null | null | 1.09 | 1.09 | null | null | null | has coordinates | Yip, B.-C.; Fun, H.-K.; Teoh, S.-G.; Shawkataly, O. B.
Structure of 2-(1-naphthyl)-5-phenyl-1,3-oxazole (α-NPO)
Acta Crystallographica Section C
49(8)
(1993)
1532-1534 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,471 | 6.421 | 0.002 | 6.658 | 0.004 | 13.758 | 0.005 | 85.53 | 0.03 | 99.7 | 0.03 | 117.54 | 0.03 | 514.1 | 0.4 | 296 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C13 H18 O2 - | - C13 H18 O2 - | - C26 H36 O4 - | 2 | 1 | HH1010 | Lloyd, B. A.; Arif, A. M.; Allred, E. L.; Sharp, T. R. | A twisted pentacyclic diol derivative | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1534 | 1536 | 10.1107/S0108270193001222 | 0.71073 | MoKα | null | 0.0531 | null | null | 0.054 | null | null | null | null | 0.5522 | 0.5522 | null | null | null | has coordinates | Lloyd, B. A.; Arif, A. M.; Allred, E. L.; Sharp, T. R.
A twisted pentacyclic diol derivative
Acta Crystallographica Section C
49(8)
(1993)
1534-1536 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,472 | 8.804 | 0.003 | 6.472 | 0.002 | 29.075 | 0.012 | 90 | null | 94.75 | 0.02 | 90 | null | 1,651 | 1 | 153 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C17 H21 Cl N2 O2 - | - C17 H21 Cl N2 O2 - | - C68 H84 Cl4 N8 O8 - | 4 | 1 | VS1003 | Igonin, V. A.; Lindeman, S. V.; Struchkov, Yu. T.; Huipe-Nave, E.; Mendoza, V. | Structure of 3-(3,5-dimethylpiperidino)-<i>N</i>-(<i>p</i>-chlorophenyl)succinimide | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1536 | 1537 | 10.1107/S0108270193001908 | 0.71073 | MoKα | null | 0.052 | null | null | 0.064 | null | null | null | null | 2.16 | 2.16 | null | null | null | has coordinates | Igonin, V. A.; Lindeman, S. V.; Struchkov, Yu. T.; Huipe-Nave, E.; Mendoza, V.
Structure of 3-(3,5-dimethylpiperidino)-<i>N</i>-(<i>p</i>-chlorophenyl)succinimide
Acta Crystallographica Section C
49(8)
(1993)
1536-1537 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,473 | 10.3739 | 0.0005 | 12.0037 | 0.0006 | 17.3827 | 0.0009 | 81.416 | 0.004 | 78.567 | 0.004 | 78.379 | 0.004 | 2,064.62 | 0.18 | 293 | null | 293 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | Tetrakis[(2-pyridylmethyl)oxy]calix[4]arene | 25,26,27,28-Tetrakis[(2-pyridylmethyl)oxy]calix[4]arene | - C52 H44 N4 O4 - | - C52 H44 N4 O4 - | - C104 H88 N8 O8 - | 2 | 1 | AB1052 | Ferguson, G.; Gallagher, J. F.; Pappalardo, S. | Structure of the partial cone conformer of 25,26,27,28-tetrakis[(2-pyridylmethyl)oxy]calix[4]arene | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1537 | 1540 | 10.1107/S0108270193000897 | 0.7093 | MoKα | 0.169 | 0.053 | null | 0.069 | 0.054 | null | null | null | null | 1.3 | 1.3 | null | null | null | has coordinates | Ferguson, G.; Gallagher, J. F.; Pappalardo, S.
Structure of the partial cone conformer of 25,26,27,28-tetrakis[(2-pyridylmethyl)oxy]calix[4]arene
Acta Crystallographica Section C
49(8)
(1993)
1537-1540 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,618 | 27.1065 | 0.0012 | 9.2347 | 0.0004 | 16.4901 | 0.0008 | 90 | null | 115.402 | 0.001 | 90 | null | 3,728.7 | 0.3 | 286 | 2 | 286 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol:2(Isoquinolin-3(2H)-one) | - C48 H36 N2 O4 - | - C48 H36 N2 O4 - | - C192 H144 N8 O16 - | 4 | 0.5 | Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem | Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds | CrystEngComm | 2,011 | 13 | 9 | 3181 | 10.1039/c0ce00489h | 0.71073 | MoKα | 0.0717 | 0.0416 | null | null | 0.0984 | 0.1164 | null | null | null | null | null | 1.036 | null | null | has coordinates | Cao, Deng-Ke; Sreevidya, Thekku V.; Botoshansky, Mark; Golden, Gilad; Benedict, Jason B.; Kaftory, Menahem
Formation of different photodimers of isoquinolinone by irradiation of solid molecular compounds
CrystEngComm
13(9)
(2011)
3181 | 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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2,001,474 | 8.6406 | 0.0008 | 17.151 | 0.001 | 14.542 | 0.001 | 90 | null | 106.106 | 0.008 | 90 | null | 2,070.5 | 0.3 | 298 | 2 | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C20 H28 N4 O2 S - | - C20 H28 N4 O2 S - | - C80 H112 N16 O8 S4 - | 4 | 1 | OH1005 | Fujii, I.; Hirayama, N.; Miike, A. | Structure of 3,7-bis(dimethylamino)-10-(<i>N</i>-methylcarbamoyl)phenothiazine(MCDP)–ethanol (1/1) | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1540 | 1541 | 10.1107/S0108270193001866 | 1.54184 | CuKα | null | 0.06 | null | null | 0.082 | null | null | null | null | 2.87 | 2.87 | null | null | null | has coordinates | Fujii, I.; Hirayama, N.; Miike, A.
Structure of 3,7-bis(dimethylamino)-10-(<i>N</i>-methylcarbamoyl)phenothiazine(MCDP)–ethanol (1/1)
Acta Crystallographica Section C
49(8)
(1993)
1540-1541 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,475 | 27.699 | 0.003 | 27.699 | 0.003 | 6.169 | 0.001 | 90 | null | 90 | null | 90 | null | 4,733.1 | 1.1 | 297 | null | null | null | null | null | null | null | 3 | I 41/a | -I 4ad | 88 | 5,5',6,6'-tetraphenyl-3,3'-bi-1,2,4-triazine | - C30 H20 N6 - | - C30 H20 N6 - | - C240 H160 N48 - | 8 | null | SE1020 | Breu, J.; Range, K.-J. | Structure of 5,5',6,6'-tetraphenyl-3,3'-bi-1,2,4-triazine | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1541 | 1543 | 10.1107/S0108270193001556 | 1.54185 | CuKα | null | 0.066 | null | null | 0.034 | null | null | null | null | null | null | null | null | null | has coordinates | Breu, J.; Range, K.-J.
Structure of 5,5',6,6'-tetraphenyl-3,3'-bi-1,2,4-triazine
Acta Crystallographica Section C
49(8)
(1993)
1541-1543 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,476 | 9.7659 | 0.0006 | 21.6128 | 0.0013 | 11.104 | 0.0007 | 90 | null | 110.56 | 0.01 | 90 | null | 2,194.4 | 0.3 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | null | - C56 H44 As2 N4 - | - C56 H44 As2 N4 - | - C112 H88 As4 N8 - | 2 | 0.5 | CD1008 | Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C. | Structure of 1,4-benzenedicyanamide dianion derivatives | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1543 | 1547 | 10.1107/S0108270193001428 | 0.7093 | MoKα | null | 0.04 | null | null | 0.034 | null | null | null | null | 1.29 | 1.29 | null | null | null | has coordinates | Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C.
Structure of 1,4-benzenedicyanamide dianion derivatives
Acta Crystallographica Section C
49(8)
(1993)
1543-1547 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,477 | 9.886 | 0.0014 | 16.416 | 0.005 | 14.909 | 0.003 | 90 | null | 99.391 | 0.017 | 90 | null | 2,387.1 | 0.9 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C58 H48 As2 N4 - | - C58 H48 As2 N4 - | - C116 H96 As4 N8 - | 2 | 0.5 | CD1008 | Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C. | Structure of 1,4-benzenedicyanamide dianion derivatives | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1543 | 1547 | 10.1107/S0108270193001428 | 0.7093 | MoKα | null | 0.072 | null | null | 0.051 | null | null | null | null | 3.63 | 3.63 | null | null | null | has coordinates | Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C.
Structure of 1,4-benzenedicyanamide dianion derivatives
Acta Crystallographica Section C
49(8)
(1993)
1543-1547 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,478 | 9.867 | 0.002 | 18.3696 | 0.0019 | 13.1791 | 0.0011 | 90 | null | 102.875 | 0.014 | 90 | null | 2,328.7 | 0.6 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C56 H42 As2 Cl2 N4 - | - C56 H42 As2 Cl2 N4 - | - C112 H84 As4 Cl4 N8 - | 2 | 0.5 | CD1008 | Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C. | Structure of 1,4-benzenedicyanamide dianion derivatives | Acta Crystallographica Section C | 1,993 | 49 | 8 | 1543 | 1547 | 10.1107/S0108270193001428 | 0.7093 | MoKα | null | 0.026 | null | null | 0.02 | null | null | null | null | 4.02 | 4.02 | null | null | null | has coordinates | Aquino, M. A. S.; Crutchley, R. J.; Lee, F. L.; Gabe, E. J.; Bensimon, C.
Structure of 1,4-benzenedicyanamide dianion derivatives
Acta Crystallographica Section C
49(8)
(1993)
1543-1547 | 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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