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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,005,102 | 6.589 | 0.001 | 5.163 | 0.001 | 15.633 | 0.003 | 90 | null | 91.99 | 0.03 | 90 | null | 531.5 | 0.17 | 298 | null | 298 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Copper(II) Iron(III) Diphosphate | - Cu Fe2 O14 P4 - | - Cu Fe2 O14 P4 - | - Cu2 Fe4 O28 P8 - | 2 | 0.5 | BR1137 | Boutfessi, A.; Boukhari, A.; Holt, E. M. | Copper(II) Diiron(III) Pyrophosphate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1597 | 1599 | 10.1107/S0108270196000856 | 0.71073 | MoKα | null | 0.042 | null | null | 0.0541 | null | null | null | null | 1.26 | 1.26 | null | null | null | has coordinates | Boutfessi, A.; Boukhari, A.; Holt, E. M.
Copper(II) Diiron(III) Pyrophosphate
Acta Crystallographica Section C
52(7)
(1996)
1597-1599 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,103 | 7.241 | 0.002 | 6.214 | 0.001 | 8.643 | 0.001 | 90 | null | 101.19 | 0.01 | 90 | null | 381.5 | 0.13 | 295 | 1 | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C6 H8 As N O3 - | - C6 H7 As N O3 - | - C12 H14 As2 N2 O6 - | 2 | 1 | CF1008 | Nuttall, R. H.; Hunter, W. N. | <i>p</i>-Arsanilic Acid, a Redetermination | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1681 | 1683 | 10.1107/S010827019501657X | 1.54178 | CuKα | null | 0.044 | null | null | 0.055 | null | null | null | null | 1.04 | 1.04 | null | null | null | has coordinates | Nuttall, R. H.; Hunter, W. N.
<i>p</i>-Arsanilic Acid, a Redetermination
Acta Crystallographica Section C
52(7)
(1996)
1681-1683 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
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2,005,104 | 18.678 | 0.009 | 7.627 | 0.003 | 19.099 | 0.01 | 90 | null | 116.6 | 0.04 | 90 | null | 2,433 | 2 | 198 | null | null | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | - C24 H30 I N Sn - | - C24 H30 I N Sn - | - C96 H120 I4 N4 Sn4 - | 4 | 1 | CF1055 | Howie, R. A.; Wardell, J. L. | Trimethyl[3-(triphenylstannyl)propyl]ammonium Iodide | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1668 | 1670 | 10.1107/S0108270196000881 | 0.71073 | MoKα | null | 0.043 | null | null | 0.043 | null | null | null | null | 1.43 | 1.43 | null | null | null | has coordinates | Howie, R. A.; Wardell, J. L.
Trimethyl[3-(triphenylstannyl)propyl]ammonium Iodide
Acta Crystallographica Section C
52(7)
(1996)
1668-1670 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,105 | 5.739 | 0.003 | 14.237 | 0.002 | 18.644 | 0.002 | 90 | null | 93.65 | 0.01 | 90 | null | 1,520.2 | 0.8 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 3,3-dichlor-4-(p-metoxyphenyl)-1-phenyl-2-azetidinone | - C16 H13 Cl2 N O2 - | - C16 H13 Cl2 N O2 - | - C64 H52 Cl8 N4 O8 - | 4 | 1 | CF1057 | Ercan, F.; Ülkü, D.; Güner, V. | 3,3-Dichloro-4-(<i>p</i>-methoxyphenyl)-1-phenyl-2-azetidinone | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1779 | 1780 | 10.1107/S0108270196002119 | 0.71073 | MoKα | null | 0.042 | null | null | 0.04 | null | null | null | null | 0.64 | 0.64 | null | null | null | has coordinates | Ercan, F.; Ülkü, D.; Güner, V.
3,3-Dichloro-4-(<i>p</i>-methoxyphenyl)-1-phenyl-2-azetidinone
Acta Crystallographica Section C
52(7)
(1996)
1779-1780 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/51/2005105.cif $
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2,005,106 | 7.4402 | 0.0008 | 14.8767 | 0.0013 | 11.5652 | 0.0012 | 90 | null | 105.539 | 0.009 | 90 | null | 1,233.3 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 8,9,10,11-Tetrahydrobenz[c]acridine. | - C17 H15 N - | - C17 H15 N - | - C68 H60 N4 - | 4 | 1 | CF1059 | Ray, J. K.; Haldar, M. K.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K. | 8,9,10,11-Tetrahydrobenz[<i>c</i>]acridine | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1813 | 1815 | 10.1107/S0108270196002132 | 0.71073 | MoKα | 0.0585 | 0.0429 | null | 0.1356 | 0.1279 | null | null | null | 1.064 | 1.187 | 1.187 | null | null | null | has coordinates | Ray, J. K.; Haldar, M. K.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.
8,9,10,11-Tetrahydrobenz[<i>c</i>]acridine
Acta Crystallographica Section C
52(7)
(1996)
1813-1815 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,107 | 8.193 | 0.005 | 10.546 | 0.006 | 11.092 | 0.006 | 90 | null | 103.21 | 0.04 | 90 | null | 933 | 0.9 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (1R,3S,4R,5S,6S,7R,8S)-4-chloromethyl-3,4-diyhdroxy- 8-(4-hydroxymethacrylate)-1H,5H,6H,7H-guaia-10(14),11(13)-dien-6,12-olide, | - C19 H23 Cl O7 - | - C19 H23 Cl O7 - | - C38 H46 Cl2 O14 - | 2 | 1 | CF1061 | Mattern, G.; Weckert, E.; Youssef, D.; Frahm, A. W. | Absolute Configuration of Chlorojanerin, a Chlorine-Containing Guaianolide from <i>Centaurea scoparia</i> | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1791 | 1793 | 10.1107/S0108270196000741 | 0.71073 | MoKα | 0.0381 | 0.0354 | null | 0.0367 | 0.0366 | null | null | null | 2.27 | 2.34 | 2.34 | null | null | null | has coordinates | Mattern, G.; Weckert, E.; Youssef, D.; Frahm, A. W.
Absolute Configuration of Chlorojanerin, a Chlorine-Containing Guaianolide from <i>Centaurea scoparia</i>
Acta Crystallographica Section C
52(7)
(1996)
1791-1793 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,108 | 7.2382 | 0.0005 | 15.9407 | 0.0014 | 13.152 | 0.0011 | 90 | null | 93.473 | 0.007 | 90 | null | 1,514.7 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4,5-Diazafluren-9-one Isonicotinoylhydrozone Monohydrate. | - C17 H13 N5 O2 - | - C17 H13 N5 O2 - | - C68 H52 N20 O8 - | 4 | 1 | CF1063 | Lu, Z.-L.; Shan, B.-Z.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.; Fun, H.-K.; Sivakumar, K. | 4,5-Diaza-9-fluorenone Isonicotinoylhydrazone Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1720 | 1722 | 10.1107/S0108270196002144 | 0.71073 | MoKα | 0.0615 | 0.0404 | null | 0.1149 | 0.1063 | null | null | null | 0.966 | 1.088 | 1.088 | null | null | null | has coordinates | Lu, Z.-L.; Shan, B.-Z.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.
4,5-Diaza-9-fluorenone Isonicotinoylhydrazone Monohydrate
Acta Crystallographica Section C
52(7)
(1996)
1720-1722 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,109 | 16.949 | 0.002 | 17.907 | 0.002 | 19.662 | 0.003 | 90 | null | 90 | null | 90 | null | 5,967.5 | 1.3 | 294 | 1 | 294 | 1 | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | (α-Ferrocenylphenacyl)triphenylphosphonium iodide | - C36 H30 Fe I O P - | - C36 H30 Fe I O P - | - C288 H240 Fe8 I8 O8 P8 - | 8 | 1 | CF1086 | Ahmed, S. Z.; Glidewell, C.; Ferguson, G. | Racemic (α-Ferrocenylphenacyl)triphenylphosphonium Iodide | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1634 | 1636 | 10.1107/S0108270196003538 | 0.7107 | MolybdenumKα | 0.1953 | 0.0552 | null | 0.1132 | 0.0911 | null | null | null | 0.802 | 1.151 | 1.151 | null | null | null | has coordinates | Ahmed, S. Z.; Glidewell, C.; Ferguson, G.
Racemic (α-Ferrocenylphenacyl)triphenylphosphonium Iodide
Acta Crystallographica Section C
52(7)
(1996)
1634-1636 | 192,293 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-19 19:41:01 +0200 (Sun, 19 Feb 2017) $
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2,005,110 | 6.209 | 0.002 | 5.023 | 0.001 | 10.457 | 0.003 | 90 | null | 95.35 | 0.03 | 90 | null | 324.71 | 0.16 | 160.95 | null | 160.95 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | p-nitrobenzaldehyde | - C7 H5 N O3 - | - C7 H6 N O4 - | - C14 H12 N2 O8 - | 2 | 1 | CR1179 | King, Jnr, J. A.; Bryant, Jnr, G. L. | <i>p</i>-Nitrobenzaldehyde | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1691 | 1693 | 10.1107/S0108270196001254 | 0.71073 | MoKα | 0.0619 | 0.0589 | null | 0.0755 | 0.0755 | null | null | null | null | 4.39 | 4.39 | null | null | null | has coordinates | King, Jnr, J. A.; Bryant, Jnr, G. L.
<i>p</i>-Nitrobenzaldehyde
Acta Crystallographica Section C
52(7)
(1996)
1691-1693 | 190,398 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-11 15:51:15 +0200 (Wed, 11 Jan 2017) $
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2,005,111 | 11.059 | 0.004 | 14.188 | 0.005 | 11.996 | 0.005 | 90 | null | 102.39 | 0.03 | 90 | null | 1,838.4 | 1.2 | 300 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C23 H20 O4 - | - C23 H20 O4 - | - C92 H80 O16 - | 4 | 1 | DE1017 | Mostafa, G.; Ray, S.; Singh, R.; Lahiri, S. | A Multichromophoric Bicyclo[2.2.2]octenone and a Photorearranged Ester Derivative | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1747 | 1750 | 10.1107/S0108270195016696 | 0.7107 | MoKα | null | 0.047 | null | null | 0.052 | null | null | null | null | 1.169 | 1.169 | null | null | null | has coordinates | Mostafa, G.; Ray, S.; Singh, R.; Lahiri, S.
A Multichromophoric Bicyclo[2.2.2]octenone and a Photorearranged Ester Derivative
Acta Crystallographica Section C
52(7)
(1996)
1747-1750 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,112 | 6.63 | 0.003 | 21.78 | 0.006 | 14.759 | 0.005 | 90 | null | 98.35 | 0.03 | 90 | null | 2,108.6 | 1.3 | 300 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C24 H24 O5 - | - C24 H24 O5 - | - C96 H96 O20 - | 4 | 1 | DE1017 | Mostafa, G.; Ray, S.; Singh, R.; Lahiri, S. | A Multichromophoric Bicyclo[2.2.2]octenone and a Photorearranged Ester Derivative | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1747 | 1750 | 10.1107/S0108270195016696 | 1.5418 | CuKα | null | 0.063 | null | null | 0.064 | null | null | null | null | 1.274 | 1.274 | null | null | null | has coordinates | Mostafa, G.; Ray, S.; Singh, R.; Lahiri, S.
A Multichromophoric Bicyclo[2.2.2]octenone and a Photorearranged Ester Derivative
Acta Crystallographica Section C
52(7)
(1996)
1747-1750 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,113 | 20.337 | 0.003 | 5.8139 | 0.0006 | 13.362 | 0.002 | 90 | null | 105.97 | 0.02 | 90 | null | 1,518.9 | 0.4 | 295 | 2 | null | null | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | 5'-O-Benzoyl-3'-deoxy-2'-keto-alpha-uridine | - C16 H14 N2 O6 - | - C16 H14 N2 O6 - | - C64 H56 N8 O24 - | 4 | 1 | DE1026 | Suresh, C. G.; Sakthivel, K.; Pathak, T. | 5'-<i>O</i>-Benzoyl-2',3'-dideoxy-2'-oxo-α-uridine | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1776 | 1779 | 10.1107/S0108270195017082 | 0.71069 | MoKα | 0.0823 | 0.0365 | null | 0.1057 | 0.0794 | null | null | null | 0.714 | 0.776 | 0.776 | null | null | null | has coordinates | Suresh, C. G.; Sakthivel, K.; Pathak, T.
5'-<i>O</i>-Benzoyl-2',3'-dideoxy-2'-oxo-α-uridine
Acta Crystallographica Section C
52(7)
(1996)
1776-1779 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,114 | 4.8984 | 0.0004 | 8.3919 | 0.0008 | 7.034 | 0.001 | 90 | null | 109.33 | 0.01 | 90 | null | 272.83 | 0.07 | 294 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - Li Mo O7 P2 - | - Li Mo O7 P2 - | - Li2 Mo2 O14 P4 - | 2 | 1 | LiMoP~2~O~7~ | Acta Crystallographica C | 1,996 | 52 | 1593 | 1594 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates |
LiMoP~2~O~7~
Acta Crystallographica C
52
(1996)
1593-1594 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,005,115 | 9.666 | 0.001 | 8.062 | 0.001 | 12.996 | 0.001 | 90 | null | 97.262 | 0.009 | 90 | null | 1,004.62 | 0.18 | 299 | 2 | 299 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - H Ni O14 P5 - | - H Ni O14 P5 - | - H4 Ni4 O56 P20 - | 4 | 1 | DU1148 | Olbertz, A.; Stachel, D.; Svoboda, I.; Fuess, H. | NiHP~5~O~14~ Ultraphosphate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1603 | 1605 | 10.1107/S0108270196000595 | 0.71093 | MoKα | 0.0737 | 0.0302 | null | 0.0729 | 0.0636 | null | null | null | 1.023 | 1.066 | 1.066 | null | null | null | has coordinates | Olbertz, A.; Stachel, D.; Svoboda, I.; Fuess, H.
NiHP~5~O~14~ Ultraphosphate
Acta Crystallographica Section C
52(7)
(1996)
1603-1605 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,005,116 | 8.042 | 0.0008 | 8.4045 | 0.0008 | 15.174 | 0.001 | 105.021 | 0.008 | 95.128 | 0.009 | 95.326 | 0.008 | 979.39 | 0.16 | 298 | null | 298 | null | null | null | null | null | 8 | P -1 | -P 1 | 2 | trans-dichloloro-triethylphosphine-2-n-propylsulfinylpyridine-palladium(II) | - C14 H26 Cl2 N O P Pd S - | - C14 H26 Cl2 N O P Pd S - | - C28 H52 Cl4 N2 O2 P2 Pd2 S2 - | 2 | 1 | FG1058 | Rodrigues, A. M. G. D.; do Gambardella, M. T.; Francisco, R. H. P.; de Sousa, G. F.; Filgueiras, C. A. L. | <i>trans</i>-Dichloro(2-<i>n</i>-propylsulfinylpyridine-<i>N</i>)(triethylphosphine-<i>P</i>)palladium(II) | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1641 | 1642 | 10.1107/S0108270196002478 | 0.71073 | MoKα | 0.0612 | 0.0427 | null | 0.0576 | 0.0476 | null | null | null | 1.26 | 1.33 | 1.33 | null | null | null | has coordinates | Rodrigues, A. M. G. D.; do Gambardella, M. T.; Francisco, R. H. P.; de Sousa, G. F.; Filgueiras, C. A. L.
<i>trans</i>-Dichloro(2-<i>n</i>-propylsulfinylpyridine-<i>N</i>)(triethylphosphine-<i>P</i>)palladium(II)
Acta Crystallographica Section C
52(7)
(1996)
1641-1642 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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4,322,211 | 13.154 | 0.001 | 17.991 | 0.001 | 20.495 | 0.001 | 80.01 | 0.01 | 88.02 | 0.01 | 71.83 | 0.01 | 4,537.5 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C53 H45 Cu O5 P2 - | - C53 H45 Cu O5 P2 - | - C212 H180 Cu4 O20 P8 - | 4 | 2 | Éva Balogh-Hergovich; József Kaizer; Gábor Speier; Vilmos Fülöp; László Párkányi | Quercetin 2,3-Dioxygenase Mimicking Ring Cleavage of the Flavonolate Ligand Assisted by Copper. Synthesis and Characterization of Copper(I) Complexes [Cu(PPh~3~)~2~(fla)] (fla = Flavonolate) and [Cu(PPh~3~)~2~(O-bs)] (O-bs = O-Benzoylsalicylate) | Inorganic Chemistry | 1,999 | 38 | 3787 | 3795 | 10.1021/ic990175d | 1.5418 | CuKa | 0.0607 | 0.0403 | null | 0.1331 | 0.1167 | null | null | null | 1.047 | 1.074 | 1.074 | null | null | null | has coordinates | Éva Balogh-Hergovich; József Kaizer; Gábor Speier; Vilmos Fülöp; László Párkányi
Quercetin 2,3-Dioxygenase Mimicking Ring Cleavage of the Flavonolate Ligand Assisted by Copper. Synthesis and Characterization of Copper(I) Complexes [Cu(PPh~3~)~2~(fla)] (fla = Flavonolate) and [Cu(PPh~3~)~2~(O-bs)] (O-bs = O-Benzoylsalic... | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,117 | 7.851 | 0.001 | 10.239 | 0.002 | 10.869 | 0.002 | 63.03 | 0.01 | 80.85 | 0.01 | 85.97 | 0.01 | 768.8 | 0.2 | 298 | null | 298 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | (4aα, 8α, 8aα)-(+,-)-Octahydro-8-(4-bromobenzoate)-1 (2H)-naphthalenone | - C17 H19 Br O3 - | - C17 H19 Br O3 - | - C34 H38 Br2 O6 - | 2 | 1 | FG1079 | Abboud, K. A.; Xie, Y.; Enholm, E. J. | A <i>cis</i>-Fused Decalone and a Bicyclo[4.3.1]decanone Ring System | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1829 | 1831 | 10.1107/S0108270196000121 | 0.71073 | MoKα | 0.0881 | 0.069 | null | 0.0523 | 0.0476 | null | null | null | null | 1.41 | 1.41 | null | null | null | has coordinates | Abboud, K. A.; Xie, Y.; Enholm, E. J.
A <i>cis</i>-Fused Decalone and a Bicyclo[4.3.1]decanone Ring System
Acta Crystallographica Section C
52(7)
(1996)
1829-1831 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,118 | 12.01 | null | 7.553 | null | 12.134 | null | 90 | null | 110.34 | null | 90 | null | 1,032.06 | null | 298 | null | 298 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | (±)-endo-5-hydroxy-1-methylbicyclo[4.3.1.]decan-7-one | - C11 H18 O2 - | - C11 H18 O2 - | - C44 H72 O8 - | 4 | 1 | FG1079 | Abboud, K. A.; Xie, Y.; Enholm, E. J. | A <i>cis</i>-Fused Decalone and a Bicyclo[4.3.1]decanone Ring System | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1829 | 1831 | 10.1107/S0108270196000121 | 0.71073 | MoKα | 0.0771 | 0.0463 | null | 0.0564 | 0.0526 | null | null | null | null | 1.55 | 1.55 | null | null | null | has coordinates | Abboud, K. A.; Xie, Y.; Enholm, E. J.
A <i>cis</i>-Fused Decalone and a Bicyclo[4.3.1]decanone Ring System
Acta Crystallographica Section C
52(7)
(1996)
1829-1831 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,119 | 16.445 | 0.002 | 6.3075 | 0.0006 | 21.092 | 0.003 | 90 | null | 112.02 | 0.01 | 90 | null | 2,028.2 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | trans-dimethyl-cis-dicloro-μ-bis{meso-1,2-di(phenylsulphinyl)ethane}-tin(IV) | - C16 H20 Cl2 O2 S2 Sn - | - C16 H20 Cl2 O2 S2 Sn - | - C64 H80 Cl8 O8 S8 Sn4 - | 4 | 1 | FG1084 | Carvalho, C. C.; Francisco, R. H. P.; do Gambardella, M. T.; de Sousa, G. F.; Filgueiras, C. A. L. | <i>catena</i>-Poly[<i>cis</i>-dichloro-<i>trans</i>-dimethyltin(IV)-μ-<i>meso</i>-1,2-bis(phenylsulfinyl)ethane-<i>O</i>:<i>O</i>'] | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1629 | 1631 | 10.1107/S0108270196002466 | 0.71073 | MoKα | 0.0577 | 0.0334 | null | 0.1008 | 0.0836 | null | null | null | 1.09 | 1.038 | 1.038 | null | null | null | has coordinates | Carvalho, C. C.; Francisco, R. H. P.; do Gambardella, M. T.; de Sousa, G. F.; Filgueiras, C. A. L.
<i>catena</i>-Poly[<i>cis</i>-dichloro-<i>trans</i>-dimethyltin(IV)-μ-<i>meso</i>-1,2-bis(phenylsulfinyl)ethane-<i>O</i>:<i>O</i>']
Acta Crystallographica Section C
52(7)
(1996)
1629-1631 | 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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2,005,120 | 11.356 | 0.001 | 11.862 | 0.001 | 12.989 | 0.001 | 106.88 | 0.01 | 102.95 | 0.01 | 94.38 | 0.01 | 1,612.8 | 0.3 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C30 H40 Cu N4 O9 - | - C26 H36 Cu N4 O13 - | - C52 H72 Cu2 N8 O26 - | 2 | 1 | FG1104 | Neves, A.; Vencato, I.; Verani, C. N. | Bis[2-(2-pyridylmethylaminomethyl)phenol]copper(II) Diacetate Trihydrate [Cu(HBPA)~2~](CH~3~COO)~2~.3H~2~O | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1648 | 1651 | 10.1107/S0108270196000108 | 0.71073 | Mo | 0.08 | 0.0609 | null | null | 0.0823 | null | null | null | null | 1.96 | 1.96 | null | null | null | has coordinates | Neves, A.; Vencato, I.; Verani, C. N.
Bis[2-(2-pyridylmethylaminomethyl)phenol]copper(II) Diacetate Trihydrate [Cu(HBPA)~2~](CH~3~COO)~2~.3H~2~O
Acta Crystallographica Section C
52(7)
(1996)
1648-1651 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/51/2005120.cif $
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2,005,121 | 15.754 | 0.004 | 11.468 | 0.004 | 15.084 | 0.003 | 90 | null | 108.97 | 0.02 | 90 | null | 2,577.2 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | [Pt(tpy)(MeIm)](ClO4)2.CH3CN | 2,2':6',2''-Terpyridine(1-methylimidazole)platinum(II) Perchlorate Acetonitrile Solvate | - C21 H20 Cl2 N6 O8 Pt - | - C21 H20 Cl2 N6 O8 Pt - | - C84 H80 Cl8 N24 O32 Pt4 - | 4 | 1 | FG1115 | Roszak, A. W.; Clement, O.; Buncel, E. | 2,2':6',2''-Terpyridine(1-methylimidazole-<i>N</i>^3^)platinum(II) Perchlorate Acetonitrile Solvate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1645 | 1648 | 10.1107/S0108270196001370 | 0.71069 | MoKα | 0.0937 | 0.0382 | null | 0.1239 | 0.0939 | null | null | null | 1.006 | 1.091 | 1.091 | null | null | null | has coordinates,has disorder,has Fobs | Roszak, A. W.; Clement, O.; Buncel, E.
2,2':6',2''-Terpyridine(1-methylimidazole-<i>N</i>^3^)platinum(II) Perchlorate Acetonitrile Solvate
Acta Crystallographica Section C
52(7)
(1996)
1645-1648 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,122 | 12.365 | 0.003 | 13.192 | 0.003 | 13.373 | 0.002 | 90 | null | 113.38 | 0.02 | 90 | null | 2,002.3 | 0.8 | 170 | null | 170 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C19 H20 Cl3 N3 Zn - | - C19 H20 Cl3 N3 Zn - | - C76 H80 Cl12 N12 Zn4 - | 4 | 1 | FG1168 | Parvez, M.; Sabir, A. P. | Clemizoledichlorozinc(II) | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1651 | 1653 | 10.1107/S0108270196003605 | 0.71069 | MoKα | null | 0.033 | null | null | 0.031 | null | null | null | null | 1.273 | 1.273 | null | null | null | has coordinates | Parvez, M.; Sabir, A. P.
Clemizoledichlorozinc(II)
Acta Crystallographica Section C
52(7)
(1996)
1651-1653 | 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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2,005,123 | 9.802 | 0.007 | 21.172 | 0.005 | 5.504 | 0.005 | 90 | null | 90 | null | 90 | null | 1,142.2 | 1.3 | 296 | null | 296 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 1-(2-deoxy-α-D-erythropentopyranosyl) 1-(R),2-(R)-4,4- dimethylpyrazolidine-3,5-dione | - C10 H16 N2 O5 - | - C10 H16 N2 O5 - | - C40 H64 N8 O20 - | 4 | 1 | FG1174 | Kolb, V. M.; Colloton, P. A.; Robinson, P. D.; Lutfi, H. G.; Meyers, C. Y. | (1<i>R</i>,2<i>R</i>)-4,4-Dimethylpyrazolidine-3,5-dione-α-<small>D</small>-pyranosyl-2-deoxyriboside | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1781 | 1784 | 10.1107/S0108270196004416 | 0.71069 | MoKα | null | 0.058 | null | null | 0.048 | null | null | null | null | 1.35 | 1.35 | null | null | null | has coordinates | Kolb, V. M.; Colloton, P. A.; Robinson, P. D.; Lutfi, H. G.; Meyers, C. Y.
(1<i>R</i>,2<i>R</i>)-4,4-Dimethylpyrazolidine-3,5-dione-α-<small>D</small>-pyranosyl-2-deoxyriboside
Acta Crystallographica Section C
52(7)
(1996)
1781-1784 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,124 | 15.312 | 0.005 | 10.3 | 0.003 | 17.554 | 0.005 | 90 | null | 93.68 | 0.03 | 90 | null | 2,762.8 | 1.4 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | (Bromodifluoromethyl)diphenylphosphine sulfide | - C13 H10 Br F2 P S - | - C13 H10 Br F2 P S - | - C104 H80 Br8 F16 P8 S8 - | 8 | 1 | FG1182 | Jones, P. G. | (Bromodifluoromethyl)diphenylphosphine Sulfide | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1793 | 1795 | 10.1107/S0108270196004489 | 0.71073 | MoKα | 0.0432 | 0.0313 | null | 0.0856 | 0.0749 | null | null | null | 1.065 | 1.043 | 1.043 | null | null | null | has coordinates | Jones, P. G.
(Bromodifluoromethyl)diphenylphosphine Sulfide
Acta Crystallographica Section C
52(7)
(1996)
1793-1795 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,125 | 4.098 | 0.003 | 25.665 | 0.002 | 12.989 | 0.003 | 90 | null | 97.22 | 0.05 | 90 | null | 1,355.3 | 1.1 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H11 N3 O3 S - | - C14 H11 N3 O3 S - | - C56 H44 N12 O12 S4 - | 4 | 1 | HA1152 | Zhang, D.-C.; Zhang, Y.-Q.; Cao, Y.; Zhao, B. | 1-Benzoyl-3-(4-nitrophenyl)thiourea | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1716 | 1718 | 10.1107/S0108270196001047 | 0.7107 | MoKα | null | 0.034 | null | null | 0.044 | null | null | null | null | 1.63 | 1.63 | null | null | null | has coordinates | Zhang, D.-C.; Zhang, Y.-Q.; Cao, Y.; Zhao, B.
1-Benzoyl-3-(4-nitrophenyl)thiourea
Acta Crystallographica Section C
52(7)
(1996)
1716-1718 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,126 | 11.614 | 0.014 | 5.288 | 0.005 | 10.602 | 0.015 | 90 | null | 110.02 | 0.03 | 90 | null | 611.8 | 1.3 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1,6-bis(1,3-dioxolan-2-one)-2,5-dithiahexane | - C10 H14 O6 S2 - | - C10 H14 O6 S2 - | - C20 H28 O12 S4 - | 2 | 0.5 | HA1158 | Blake, A. J.; Parsons, S.; Richtzenhain, H.; Schröder, M. | 2,5-Dithiahexane-1,6-diyl-4,4'-bis(1,3-dioxolan-2-one) | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1699 | 1701 | 10.1107/S0108270196001515 | 0.71073 | MoKα | 0.0903 | 0.0732 | null | 0.1948 | 0.1749 | null | null | null | 1.162 | 1.217 | 1.217 | null | null | null | has coordinates | Blake, A. J.; Parsons, S.; Richtzenhain, H.; Schröder, M.
2,5-Dithiahexane-1,6-diyl-4,4'-bis(1,3-dioxolan-2-one)
Acta Crystallographica Section C
52(7)
(1996)
1699-1701 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/51/2005126.cif $
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2,005,127 | 10.492 | 0.002 | 11.436 | 0.002 | 9.334 | 0.001 | 92.04 | 0.01 | 97.31 | 0.02 | 110.68 | 0.02 | 1,035.4 | 0.3 | 294 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C23 H25 N3 S - | - C23 H25 N3 S - | - C46 H50 N6 S2 - | 2 | 1 | JZ1081 | Ergin, Ö.; Sillanpää, R.; Yeşilada, A. | 5-Benzylidene-8-ethylthiocarbamoyl-9-phenyl-7,8-diazabicyclo[4.3.0]non-6-ene | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1770 | 1772 | 10.1107/S0108270195015794 | 0.71069 | MoKα | null | 0.037 | null | null | 0.044 | null | null | null | null | 1.46 | 1.46 | null | null | null | has coordinates | Ergin, Ö.; Sillanpää, R.; Yeşilada, A.
5-Benzylidene-8-ethylthiocarbamoyl-9-phenyl-7,8-diazabicyclo[4.3.0]non-6-ene
Acta Crystallographica Section C
52(7)
(1996)
1770-1772 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,128 | 6.689 | 0.006 | 8.79 | 0.009 | 9.447 | 0.008 | 95.23 | 0.09 | 104.88 | 0.07 | 92.21 | 0.06 | 533.5 | 0.9 | 153 | 2 | 153 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | TAPSO | 3-(N-tris(hydroxymethyl) methylamino)-2-hydroxy-propanesulfonic acid | - C7 H17 N O7 S - | - C7 H17 N O7 S - | - C14 H34 N2 O14 S2 - | 2 | 1 | JZ1092 | Wouters, J.; Stalke, D. | TAPSO at Low Temperature | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1684 | 1686 | 10.1107/S0108270196001199 | 0.71073 | MoKα | 0.0461 | 0.0379 | null | 0.1401 | 0.1001 | null | null | null | 1.074 | 1.093 | 1.093 | null | null | null | has coordinates | Wouters, J.; Stalke, D.
TAPSO at Low Temperature
Acta Crystallographica Section C
52(7)
(1996)
1684-1686 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,129 | 11.804 | 0.003 | 11.392 | 0.003 | 16.256 | 0.004 | 90 | null | 90 | null | 90 | null | 2,186 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C8 H18 N2 O4 S - | - C8 H18 N2 O4 S - | - C64 H144 N16 O32 S8 - | 8 | 1 | JZ1093 | Wouters, J.; Häming, L.; Sheldrick, G. | HEPES | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1687 | 1688 | 10.1107/S0108270196001187 | 1.54178 | CuKα | 0.0501 | 0.0487 | null | 0.1362 | 0.1334 | null | null | null | 1.103 | 1.114 | 1.114 | null | null | null | has coordinates | Wouters, J.; Häming, L.; Sheldrick, G.
HEPES
Acta Crystallographica Section C
52(7)
(1996)
1687-1688 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,130 | 5.579 | 0.002 | 8.014 | 0.002 | 12.014 | 0.002 | 95.72 | 0.01 | 95.72 | 0.01 | 92.54 | 0.02 | 531 | 0.2 | 102 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C9 H21 P - | - C9 H21 P - | - C18 H42 P2 - | 2 | 1 | JZ1100 | Bruckmann, J.; Krüger, C. | Tris(<i>n</i>-propyl)phosphine and Tris(isopropyl)phosphine | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1733 | 1736 | 10.1107/S0108270195017100 | 0.71073 | MoKα | null | 0.051 | null | null | 0.068 | null | null | null | null | 1.73 | 1.73 | null | null | null | has coordinates | Bruckmann, J.; Krüger, C.
Tris(<i>n</i>-propyl)phosphine and Tris(isopropyl)phosphine
Acta Crystallographica Section C
52(7)
(1996)
1733-1736 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,131 | 8.622 | 0.003 | 14.368 | 0.002 | 8.928 | 0.002 | 90 | null | 106.19 | 0.02 | 90 | null | 1,062.1 | 0.5 | 102 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C9 H21 P - | - C9 H21 P - | - C36 H84 P4 - | 4 | 1 | JZ1100 | Bruckmann, J.; Krüger, C. | Tris(<i>n</i>-propyl)phosphine and Tris(isopropyl)phosphine | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1733 | 1736 | 10.1107/S0108270195017100 | 0.71073 | MoKα | null | 0.078 | null | null | 0.101 | null | null | null | null | 1.75 | 1.75 | null | null | null | has coordinates | Bruckmann, J.; Krüger, C.
Tris(<i>n</i>-propyl)phosphine and Tris(isopropyl)phosphine
Acta Crystallographica Section C
52(7)
(1996)
1733-1736 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,132 | 10.741 | 0.002 | 20.532 | 0.004 | 8.776 | 0.002 | 90 | null | 90 | null | 90 | null | 1,935.4 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C m c m | -C 2c 2 | 63 | Bis(1,3-diaminopropane(diiodo)platinum(IV) Diiodide Dihydrate | - C6 H24 I4 N4 O2 Pt - | - C6 H24 I4 N4 O2 Pt - | - C24 H96 I16 N16 O8 Pt4 - | 4 | 0.25 | JZ1105 | Pajunen, A.; Oksanen, A.; Leskelä, M. | Bis(1,3-diaminopropane)diiodoplatinum(IV) Diiodide Dihydrate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1643 | 1645 | 10.1107/S0108270196002235 | 0.71073 | MoKα | 0.055 | 0.0328 | null | 0.0788 | 0.0741 | null | null | null | 0.923 | 1.046 | 1.046 | null | null | null | has coordinates | Pajunen, A.; Oksanen, A.; Leskelä, M.
Bis(1,3-diaminopropane)diiodoplatinum(IV) Diiodide Dihydrate
Acta Crystallographica Section C
52(7)
(1996)
1643-1645 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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4,322,210 | 9.588 | 0.001 | 17.364 | 0.003 | 24.378 | 0.003 | 90 | null | 90 | null | 90 | null | 4,058.6 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | G.Speier (Univ. of Veszprém) | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C51 H39 Cu O3 P2 - | - C51 H39 Cu O3 P2 - | - C204 H156 Cu4 O12 P8 - | 4 | 1 | Éva Balogh-Hergovich; József Kaizer; Gábor Speier; Vilmos Fülöp; László Párkányi | Quercetin 2,3-Dioxygenase Mimicking Ring Cleavage of the Flavonolate Ligand Assisted by Copper. Synthesis and Characterization of Copper(I) Complexes [Cu(PPh~3~)~2~(fla)] (fla = Flavonolate) and [Cu(PPh~3~)~2~(O-bs)] (O-bs = O-Benzoylsalicylate) | Inorganic Chemistry | 1,999 | 38 | 3787 | 3795 | 10.1021/ic990175d | 1.54184 | CuKa | 0.1038 | 0.0496 | null | 0.1419 | 0.1238 | null | null | null | 1.007 | 1.142 | 1.142 | null | null | null | has coordinates | Éva Balogh-Hergovich; József Kaizer; Gábor Speier; Vilmos Fülöp; László Párkányi
Quercetin 2,3-Dioxygenase Mimicking Ring Cleavage of the Flavonolate Ligand Assisted by Copper. Synthesis and Characterization of Copper(I) Complexes [Cu(PPh~3~)~2~(fla)] (fla = Flavonolate) and [Cu(PPh~3~)~2~(O-bs)] (O-bs = O-Benzoylsalic... | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
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2,005,133 | 10.004 | 0.003 | 10.168 | 0.002 | 12.166 | 0.004 | 75.02 | 0.03 | 88.21 | 0.03 | 61.36 | 0.03 | 1,042.9 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Aquotriglycinecerium(III) hexacyanoferrate(III) monohydrate. | - C24 H38 Ce2 Fe2 N18 O16 - | - C24 H38 Ce2 Fe2 N18 O16 - | - C24 H38 Ce2 Fe2 N18 O16 - | 1 | 0.5 | JZ1110 | García-Granda, S.; Morales, A. D.; Ruíz, E. R.; Fernández Bertrán, J. | Aqua(hexacyanoferrato-<i>N</i>)bis(μ-glycine)glycinecerium(III) Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1679 | 1681 | 10.1107/S0108270196003149 | 0.71073 | MoKα | 0.0234 | 0.0188 | null | 0.0486 | 0.0471 | null | null | null | 1.083 | 1.097 | 1.097 | null | null | null | has coordinates | García-Granda, S.; Morales, A. D.; Ruíz, E. R.; Fernández Bertrán, J.
Aqua(hexacyanoferrato-<i>N</i>)bis(μ-glycine)glycinecerium(III) Monohydrate
Acta Crystallographica Section C
52(7)
(1996)
1679-1681 | 249,787 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,134 | 8.699 | 0.001 | 26.465 | 0.001 | 7.769 | 0.001 | 90 | null | 95.23 | 0.01 | 90 | null | 1,781.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 3-(tert-butyl)-4-methyl-2-phenyl-3-[(trimethylsilyl)oxy]oxetane | 3-(1,1-dimethylethyl)-4-methyl-2-phenyl-3-[(trimethylsilyl)oxy]oxacyclobutane | - C17 H28 O2 Si - | - C17 H28 O2 Si - | - C68 H112 O8 Si4 - | 4 | 1 | JZ1113 | Kotila, S.; Jäntti, A.; Penttinen, S.; Bach, T. | 3-<i>tert</i>-Butyl-4-methyl-2-phenyl-3-(trimethylsilyloxy)oxetane and 2-(2-Benzyloxyphenyl)-3-<i>tert</i>-butyl-3-(trimethylsilyloxy)oxetane | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1722 | 1725 | 10.1107/S0108270196002740 | 1.54178 | CuKα | 0.061 | 0.055 | null | 0.181 | 0.163 | null | null | null | 1.075 | 1.096 | 1.096 | null | null | null | has coordinates | Kotila, S.; Jäntti, A.; Penttinen, S.; Bach, T.
3-<i>tert</i>-Butyl-4-methyl-2-phenyl-3-(trimethylsilyloxy)oxetane and 2-(2-Benzyloxyphenyl)-3-<i>tert</i>-butyl-3-(trimethylsilyloxy)oxetane
Acta Crystallographica Section C
52(7)
(1996)
1722-1725 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,135 | 14.701 | 0.002 | 10.153 | 0.001 | 15.42 | 0.002 | 90 | null | 96.26 | 0.01 | 90 | null | 2,287.9 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2-(2-Benzyloxyphenyl)-3-(tert-butyl)-3-[(trimethylsilyl)oxy]oxetane | 2-(2-benzyloxyphenyl)-3-(1,1-dimethylethyl)-3-[(trimethylsilyl)oxy]- oxacyclobutane | - C23 H32 O3 Si - | - C23 H32 O3 Si - | - C92 H128 O12 Si4 - | 4 | 1 | JZ1113 | Kotila, S.; Jäntti, A.; Penttinen, S.; Bach, T. | 3-<i>tert</i>-Butyl-4-methyl-2-phenyl-3-(trimethylsilyloxy)oxetane and 2-(2-Benzyloxyphenyl)-3-<i>tert</i>-butyl-3-(trimethylsilyloxy)oxetane | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1722 | 1725 | 10.1107/S0108270196002740 | 0.71073 | MoKα | 0.072 | 0.046 | null | 0.147 | 0.123 | null | null | null | 1.052 | 1.073 | 1.073 | null | null | null | has coordinates | Kotila, S.; Jäntti, A.; Penttinen, S.; Bach, T.
3-<i>tert</i>-Butyl-4-methyl-2-phenyl-3-(trimethylsilyloxy)oxetane and 2-(2-Benzyloxyphenyl)-3-<i>tert</i>-butyl-3-(trimethylsilyloxy)oxetane
Acta Crystallographica Section C
52(7)
(1996)
1722-1725 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,136 | 7.237 | 0.002 | 10.434 | 0.001 | 17.45 | 0.002 | 90 | null | 99.42 | 0.01 | 90 | null | 1,299.9 | 0.4 | 123 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C11 H13 Br N2 S Se - | - C11 H13 Br N2 S Se - | - C44 H52 Br4 N8 S4 Se4 - | 4 | 1 | KA1156 | Billing, D. G.; Boeyens, J. C. A.; Lai, L.-L.; Reid, D. H. | 5-Ethylamino-3-<i>p</i>-tolyl-1λ^4^,2,4-thiaselenazol-1-ylium Bromide: a New Heteroaromatic System | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1718 | 1719 | 10.1107/S0108270195017252 | 0.71069 | MoKα | null | 0.0355 | null | null | 0.0969 | null | null | null | null | 0.983 | 0.983 | null | null | null | has coordinates | Billing, D. G.; Boeyens, J. C. A.; Lai, L.-L.; Reid, D. H.
5-Ethylamino-3-<i>p</i>-tolyl-1λ^4^,2,4-thiaselenazol-1-ylium Bromide: a New Heteroaromatic System
Acta Crystallographica Section C
52(7)
(1996)
1718-1719 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,137 | 3.916 | 0.0008 | 15.019 | 0.003 | 26.479 | 0.005 | 90 | null | 94.83 | 0.02 | 90 | null | 1,551.8 | 0.5 | 291 | 2 | 291 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | Solvent Violet 13, Disperse Blue 72 | 1-hydroxy-4-[(4-methylphenyl)amino]-9,10-anthracenedione | - C21 H15 N O3 - | - C21 H15 N O3 - | - C84 H60 N4 O12 - | 4 | 2 | KA1165 | Yatsenko, A. V.; Zhukov, S. G.; Medvedev, S. V.; Stalnaya, T. V. | Phase Transition and Expected Non-Linear Polarizability of 1-Hydroxy-4-(4-methylphenylamino)-9,10-anthraquinone | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1853 | 1856 | 10.1107/S0108270196000625 | 0.71073 | MoKα | 0.1117 | 0.042 | null | 0.0853 | 0.0692 | null | null | null | 0.888 | 1.218 | 1.218 | null | null | null | has coordinates | Yatsenko, A. V.; Zhukov, S. G.; Medvedev, S. V.; Stalnaya, T. V.
Phase Transition and Expected Non-Linear Polarizability of 1-Hydroxy-4-(4-methylphenylamino)-9,10-anthraquinone
Acta Crystallographica Section C
52(7)
(1996)
1853-1856 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,138 | 11.0672 | 0.0008 | 17.685 | 0.0012 | 12.0475 | 0.0008 | 90 | null | 111.945 | 0.005 | 90 | null | 2,187.1 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | morusin | 2-(2,4-dihydroxyphenyl)-5-hydroxy-3-(3-methyl-2-butenyl)-4H-6,6-dimethylpyrano- [2,3-h]-1-benzopyran-4-one | - C25 H24 O6 - | - C25 H24 O6 - | - C100 H96 O24 - | 4 | 1 | KA1170 | Uchida, A.; Mizutani, H.; Ohshima, S.; Oonishi, I.; Hano, Y.; Fukai, T.; Nomura, T. | Morusin and Morusin Dimethyl Ether | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1713 | 1716 | 10.1107/S0108270196001382 | 1.5418 | CuKα | 0.08 | 0.0605 | null | 0.2162 | 0.1848 | null | null | null | 0.787 | 0.778 | 0.778 | null | null | null | has coordinates | Uchida, A.; Mizutani, H.; Ohshima, S.; Oonishi, I.; Hano, Y.; Fukai, T.; Nomura, T.
Morusin and Morusin Dimethyl Ether
Acta Crystallographica Section C
52(7)
(1996)
1713-1716 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,139 | 11.326 | 0.002 | 11.806 | 0.002 | 9.688 | 0.002 | 99.87 | 0.02 | 103.31 | 0.02 | 105.73 | 0.01 | 1,175 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | morusindimethylether | 2-(2,4-dimethoxyphenyl)-5-hydroxy-3-(3-methyl-2-butenyl)-4H-6,6-dimethylpyrano- [2,3-h]-1-benzopyran-4-one | - C27 H28 O6 - | - C27 H28 O6 - | - C54 H56 O12 - | 2 | 1 | KA1170 | Uchida, A.; Mizutani, H.; Ohshima, S.; Oonishi, I.; Hano, Y.; Fukai, T.; Nomura, T. | Morusin and Morusin Dimethyl Ether | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1713 | 1716 | 10.1107/S0108270196001382 | 1.5418 | CuKα | 0.0546 | 0.0495 | null | 0.1539 | 0.1422 | null | null | null | 0.699 | 0.693 | 0.693 | null | null | null | has coordinates | Uchida, A.; Mizutani, H.; Ohshima, S.; Oonishi, I.; Hano, Y.; Fukai, T.; Nomura, T.
Morusin and Morusin Dimethyl Ether
Acta Crystallographica Section C
52(7)
(1996)
1713-1716 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,140 | 10.08 | 0.007 | 12.972 | 0.007 | 19.874 | 0.013 | 90 | null | 100.22 | 0.06 | 90 | null | 2,557 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Dicyanamidebis(1,10-phenanthroline)copper(II) Tricyanomethanide. | - C30 H16 Cu N10 - | - C30 H16 Cu N10 - | - C120 H64 Cu4 N40 - | 4 | 1 | KA1175 | Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L. | (Dicyanamido)bis(1,10-phenanthroline)copper(II) Tricyanomethanide | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1653 | 1655 | 10.1107/S010827019600296X | 0.71073 | MoKα | 0.1095 | 0.0487 | null | 0.1284 | 0.1013 | null | null | null | 1.022 | 1.145 | 1.145 | null | null | null | has coordinates | Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L.
(Dicyanamido)bis(1,10-phenanthroline)copper(II) Tricyanomethanide
Acta Crystallographica Section C
52(7)
(1996)
1653-1655 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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4,322,209 | 9.209 | 0.002 | 10.184 | 0.002 | 10.503 | 0.002 | 69.55 | 0.03 | 67.75 | 0.03 | 77.23 | 0.03 | 849.7 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 | P 1 | 1 | bis((m2-cyclooctane-1,5-diyl-borane-oxo)bis(tert-butyl)gallium) | - C32 H64 B2 Ga2 O2 - | - C32 H64 B2 Ga2 O2 - | - C32 H64 B2 Ga2 O2 - | 1 | 1 | Romana Anulewicz-Ostrowska; Sergiusz Luliński; Janusz Serwatowski | Synthesis and Characterization of Dialkylmetal Boryloxides [(μ-9-BBN-9-O)MMe2]2, M = Al, Ga, In | Inorganic Chemistry | 1,999 | 38 | 3796 | 3800 | 10.1021/ic981454o | 1.54178 | CuKα | 0.0612 | 0.0533 | null | 0.1472 | 0.1375 | null | null | null | 1.036 | 1.039 | 1.039 | null | null | null | has coordinates | Romana Anulewicz-Ostrowska; Sergiusz Luliński; Janusz Serwatowski
Synthesis and Characterization of Dialkylmetal Boryloxides [(μ-9-BBN-9-O)MMe2]2, M = Al, Ga, In
Inorganic Chemistry
38
(1999)
3796-3800 | 256,620 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,141 | 7.087 | 0.002 | 10.2878 | 0.0015 | 19.539 | 0.003 | 88.82 | 0.012 | 85.49 | 0.02 | 72.92 | 0.02 | 1,357.5 | 0.5 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Sodium 1,12-dodecylene disulfate hydrate | - C12 H25.33 Na2 O8.67 S2 - | - C12 H25.3333 Na2 O8.66667 S2 - | - C36 H76 Na6 O26 S6 - | 3 | 1.5 | KA1176 | Rudert, R.; Czichocki, G. | Sodium 1,12-Dodecylene Disulfate Hydrate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1670 | 1673 | 10.1107/S0108270196003071 | 0.71073 | MoKα | 0.0852 | 0.0504 | null | 0.162 | 0.1366 | null | null | null | 1.021 | 1.054 | 1.054 | null | null | null | has coordinates,has disorder | Rudert, R.; Czichocki, G.
Sodium 1,12-Dodecylene Disulfate Hydrate
Acta Crystallographica Section C
52(7)
(1996)
1670-1673 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,142 | 6.6813 | 0.0004 | 14.7787 | 0.0009 | 10.2608 | 0.0009 | 90 | null | 96.29 | 0.02 | 90 | null | 1,007.06 | 0.13 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | His-Tyr dihydrochloride dihydrate | L-Histidyl-L-tyrosinium dichloride dihydrate | - C15 H24 Cl2 N4 O6 - | - C15 H24 Cl2 N4 O6 - | - C30 H48 Cl4 N8 O12 - | 2 | 1 | KA1180 | Steiner, Th. | <small>L</small>-Histidyl-<small>L</small>-tyrosinium Dichloride Dihydrate, C~15~H~20~N~4~O~4~^2+^.2Cl^{-^}.2H~2~O | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1845 | 1847 | 10.1107/S0108270196002430 | 1.54176 | CuKα | 0.0329 | 0.0257 | null | 0.0825 | 0.066 | null | null | null | 1.101 | 1.107 | 1.107 | null | null | null | has coordinates | Steiner, Th.
<small>L</small>-Histidyl-<small>L</small>-tyrosinium Dichloride Dihydrate, C~15~H~20~N~4~O~4~^2+^.2Cl^{-^}.2H~2~O
Acta Crystallographica Section C
52(7)
(1996)
1845-1847 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,143 | 7.3732 | 0.0007 | 11.0354 | 0.0009 | 13.82 | 0.001 | 90 | null | 90 | null | 90 | null | 1,124.48 | 0.16 | 298 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C12 H10 N6 - | - C12 H10 N6 - | - C48 H40 N24 - | 4 | 1 | KH1014 | Liou, L.-S.; Chen, P.-S.; Sun, C.-H.; Wang, J.-C. | An Orthorhombic Phase of 3,6-Di(2-pyridyl)-1,4-dihydro-1,2,4,5-tetrazine | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1841 | 1843 | 10.1107/S0108270195016635 | 0.71073 | MoKα | null | 0.0313 | null | null | 0.0379 | null | null | null | null | 0.91 | 0.91 | null | null | null | has coordinates | Liou, L.-S.; Chen, P.-S.; Sun, C.-H.; Wang, J.-C.
An Orthorhombic Phase of 3,6-Di(2-pyridyl)-1,4-dihydro-1,2,4,5-tetrazine
Acta Crystallographica Section C
52(7)
(1996)
1841-1843 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,144 | 10.4375 | 0.0007 | 15.835 | 0.001 | 11.0997 | 0.0008 | 90 | null | 104.151 | 0.006 | 90 | null | 1,778.9 | 0.2 | 298 | null | 298 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | [Cis-dichloro-trans-dimethyl-μ-(meso-1,2-bis(n-propilsulfinyl)ethane)tin(IV)] | - C10 H24 Cl2 O2 S2 Sn - | - C10 H24 Cl2 O2 S2 Sn - | - C40 H96 Cl8 O8 S8 Sn4 - | 4 | 1 | KH1065 | Carvalho, C. C.; Francisco, R. H. P.; do Gambardella, M. T.; de Sousa, G. F.; Filgueiras, C. A. L. | <i>catena</i>-Poly[<i>cis</i>-dichloro-<i>trans</i>-dimethyltin(IV)-μ-<i>meso</i>-1,2-bis(propylsulfinyl)ethane-<i>O</i>:<i>O</i>'] | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1627 | 1629 | 10.1107/S0108270196002090 | 0.7107 | MoKα | null | 0.0325 | null | null | 0.0927 | null | null | null | null | 1.098 | 1.098 | null | null | null | has coordinates | Carvalho, C. C.; Francisco, R. H. P.; do Gambardella, M. T.; de Sousa, G. F.; Filgueiras, C. A. L.
<i>catena</i>-Poly[<i>cis</i>-dichloro-<i>trans</i>-dimethyltin(IV)-μ-<i>meso</i>-1,2-bis(propylsulfinyl)ethane-<i>O</i>:<i>O</i>']
Acta Crystallographica Section C
52(7)
(1996)
1627-1629 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,145 | 6.713 | 0.003 | 12.602 | 0.004 | 10.869 | 0.006 | 90 | null | 94.1 | 0.05 | 90 | null | 917.1 | 0.7 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C10 H9 N O4 - | - C10 H9 N O4 - | - C40 H36 N4 O16 - | 4 | 1 | KH1080 | Okabe, N.; Miura, J.; Shimosaki, A. | Kynurenic Acid Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1827 | 1829 | 10.1107/S0108270196001734 | 0.71069 | MoKα | null | 0.096 | null | null | 0.079 | null | null | null | null | 1.62 | 1.62 | null | null | null | has coordinates | Okabe, N.; Miura, J.; Shimosaki, A.
Kynurenic Acid Monohydrate
Acta Crystallographica Section C
52(7)
(1996)
1827-1829 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,146 | 9.089 | 0.002 | 9.418 | 0.003 | 12.575 | 0.008 | 89.45 | 0.04 | 105.25 | 0.03 | 91.85 | 0.02 | 1,038 | 0.8 | 296 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C22 H24 In O P - | - C22 H24 In O P - | - C44 H48 In2 O2 P2 - | 2 | 1 | KH1081 | Wang, W.; Pan, Y.; Huang, X.; Sun, H.; Lu, Z.; Sun, X. | (5-Benzyldibenzo[<i>b</i>,<i>d</i>]phosphole 5-oxide)trimethylindium | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1661 | 1663 | 10.1107/S0108270196001606 | 0.71073 | MoKα | null | 0.044 | null | null | 0.057 | null | null | null | null | 1.9 | 1.9 | null | null | null | has coordinates | Wang, W.; Pan, Y.; Huang, X.; Sun, H.; Lu, Z.; Sun, X.
(5-Benzyldibenzo[<i>b</i>,<i>d</i>]phosphole 5-oxide)trimethylindium
Acta Crystallographica Section C
52(7)
(1996)
1661-1663 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,147 | 12.71 | 0.004 | 20.41 | 0.006 | 7.325 | 0.004 | 99.86 | 0.03 | 99.44 | 0.03 | 92.55 | 0.02 | 1,841.6 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 8OCB | 4'-octyloxy-4-cyanobiphenyl | - C21 H25 N O - | - C21 H25 N O - | - C84 H100 N4 O4 - | 4 | 2 | KH1089 | Hori, K.; Kurosaki, M.; Wu, H.; Itoh, K. | Two Crystal Forms of 4'-octyloxy-4-cyanobiphenyl (8OCB) | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1751 | 1754 | 10.1107/S0108270196003447 | 1.5418 | CuKα | 0.2183 | 0.0845 | null | 0.3781 | 0.2315 | null | null | null | 0.911 | 0.906 | 0.906 | null | null | null | has coordinates | Hori, K.; Kurosaki, M.; Wu, H.; Itoh, K.
Two Crystal Forms of 4'-octyloxy-4-cyanobiphenyl (8OCB)
Acta Crystallographica Section C
52(7)
(1996)
1751-1754 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,148 | 8.551 | 0.003 | 36.14 | 0.01 | 5.857 | 0.002 | 90 | null | 95.09 | 0.03 | 90 | null | 1,802.9 | 1 | 243 | 2 | 243 | 2 | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | 8OCB | 4'-octyloxy-4-cyanobiphenyl | - C21 H25 N O - | - C21 H25 N O - | - C84 H100 N4 O4 - | 4 | 1 | KH1089 | Hori, K.; Kurosaki, M.; Wu, H.; Itoh, K. | Two Crystal Forms of 4'-octyloxy-4-cyanobiphenyl (8OCB) | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1751 | 1754 | 10.1107/S0108270196003447 | 0.7107 | MoKα | 0.1004 | 0.0674 | null | 0.2524 | 0.2313 | null | null | null | 0.682 | 0.735 | 0.735 | null | null | null | has coordinates | Hori, K.; Kurosaki, M.; Wu, H.; Itoh, K.
Two Crystal Forms of 4'-octyloxy-4-cyanobiphenyl (8OCB)
Acta Crystallographica Section C
52(7)
(1996)
1751-1754 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,149 | 10.004 | 0.001 | 10.273 | 0.001 | 14.719 | 0.001 | 90 | null | 90 | null | 90 | null | 1,512.7 | 0.2 | 293 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C15 H20 O4 S - | - C15 H20 O4 S - | - C60 H80 O16 S4 - | 4 | 1 | LI1145 | Zukerman-Schpector, J.; Monteiro, H. J. | Intermediates in the Synthesis of (+)-Grandisol. I | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1767 | 1770 | 10.1107/S0108270196004222 | 0.71073 | MoKα | 0.1035 | 0.0681 | null | 0.2031 | 0.1613 | null | null | null | 1.119 | 1.11 | 1.11 | null | null | null | has coordinates | Zukerman-Schpector, J.; Monteiro, H. J.
Intermediates in the Synthesis of (+)-Grandisol. I
Acta Crystallographica Section C
52(7)
(1996)
1767-1770 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,208 | 19.136 | 0.004 | 9.83 | 0.002 | 13.423 | 0.003 | 90 | null | 90 | null | 90 | null | 2,525 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | I b a m | -I 2 2c | 72 | bis((m2-cyclooctane-1,5-diylborane-oxo)dimethylindium) | - C20 H40 B2 In2 O2 - | - C20 H40 B2 In2 O2 - | - C80 H160 B8 In8 O8 - | 4 | 0.25 | Romana Anulewicz-Ostrowska; Sergiusz Luliński; Janusz Serwatowski | Synthesis and Characterization of Dialkylmetal Boryloxides [(μ-9-BBN-9-O)MMe2]2, M = Al, Ga, In | Inorganic Chemistry | 1,999 | 38 | 3796 | 3800 | 10.1021/ic981454o | 1.54178 | CuKα | 0.1072 | 0.0751 | null | 0.2488 | 0.2127 | null | null | null | 1.079 | 1.174 | 1.174 | null | null | null | has coordinates | Romana Anulewicz-Ostrowska; Sergiusz Luliński; Janusz Serwatowski
Synthesis and Characterization of Dialkylmetal Boryloxides [(μ-9-BBN-9-O)MMe2]2, M = Al, Ga, In
Inorganic Chemistry
38
(1999)
3796-3800 | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,150 | 7.64 | 0.001 | 9.842 | 0.001 | 11.059 | 0.001 | 116.16 | 0.01 | 100.76 | 0.01 | 90.26 | 0.01 | 729.69 | 0.16 | 293 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C15 H20 O4 S - | - C15 H20 O4 S - | - C30 H40 O8 S2 - | 2 | 1 | LI1145 | Zukerman-Schpector, J.; Monteiro, H. J. | Intermediates in the Synthesis of (+)-Grandisol. I | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1767 | 1770 | 10.1107/S0108270196004222 | 0.71073 | MoKα | 0.0578 | 0.0448 | null | 0.1304 | 0.1152 | null | null | null | 1.084 | 1.063 | 1.063 | null | null | null | has coordinates | Zukerman-Schpector, J.; Monteiro, H. J.
Intermediates in the Synthesis of (+)-Grandisol. I
Acta Crystallographica Section C
52(7)
(1996)
1767-1770 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,151 | 9.36 | 0.002 | 9.845 | 0.002 | 15.216 | 0.004 | 85.18 | 0.02 | 77.79 | 0.02 | 63.75 | 0.02 | 1,229 | 0.5 | 118 | 1 | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C27 H28 N2 O6 V - | - C28 H28 N2 O7 V - | - C56 H56 N4 O14 V2 - | 2 | 1 | MU1216 | Hope, H.; Borer, L. L. | 5,5'-(2-Hydroxy-1,3-propandiyldiamino)bis(1-phenyl-1,3-hexanedionato-<i>O</i>,<i>O</i>')oxovanadium(IV), [VO(C~27~H~28~N~2~O~5~)] | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1621 | 1624 | 10.1107/S0108270196002636 | 1.54178 | CuKα | 0.0908 | 0.065 | null | 0.1668 | 0.147 | null | null | null | null | 1.054 | 1.054 | null | null | null | has coordinates | Hope, H.; Borer, L. L.
5,5'-(2-Hydroxy-1,3-propandiyldiamino)bis(1-phenyl-1,3-hexanedionato-<i>O</i>,<i>O</i>')oxovanadium(IV), [VO(C~27~H~28~N~2~O~5~)]
Acta Crystallographica Section C
52(7)
(1996)
1621-1624 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,005,152 | 14.15 | 0.003 | 6.257 | 0.002 | 12.433 | 0.002 | 90 | null | 109.4 | 0.01 | 90 | null | 1,038.3 | 0.4 | 299 | 2 | 299 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 4,5,6,7,8,9-Hexahydro-10-hydroxy-5,9-methano-4H-thieno[3,2-c]azonine, C~11~H~15~NOS | - C11 H15 N O S - | - C11 H15 N O S - | - C44 H60 N4 O4 S4 - | 4 | 1 | MU1226 | Kozísek, J.; Berkes, D.; Svoboda, I.; Decroix, B. | 5,6,7,8,9,10-Hexahydro-10-hydroxy-5,9-methano-4<i>H</i>-thieno[3,2-<i>c</i>]azonine | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1825 | 1826 | 10.1107/S0108270196002612 | 0.71069 | MoKα | 0.0329 | 0.0305 | null | 0.0831 | 0.0812 | null | null | null | 1.082 | 1.096 | 1.096 | null | null | null | has coordinates | Kozísek, J.; Berkes, D.; Svoboda, I.; Decroix, B.
5,6,7,8,9,10-Hexahydro-10-hydroxy-5,9-methano-4<i>H</i>-thieno[3,2-<i>c</i>]azonine
Acta Crystallographica Section C
52(7)
(1996)
1825-1826 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,153 | 9.3096 | 0.0008 | 7.9319 | 0.0009 | 10.4302 | 0.0008 | 90 | null | 95.297 | 0.007 | 90 | null | 766.91 | 0.12 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C14 H12 Co N2 O10 - | - C14 H12 Co N2 O10 - | - C28 H24 Co2 N4 O20 - | 2 | 0.5 | MU1229 | Okabe, N.; Miura, J.; Shimosaki, A. | A Hydrated Cobalt(II) Complex of Quinolinic Acid: <i>trans</i>-[Co(C~7~H~4~NO~4~)~2~(H~2~O)~2~] | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1610 | 1612 | 10.1107/S0108270196002314 | 0.71069 | MoKα | null | 0.032 | null | null | 0.056 | null | null | null | null | 2.73 | 2.73 | null | null | null | has coordinates | Okabe, N.; Miura, J.; Shimosaki, A.
A Hydrated Cobalt(II) Complex of Quinolinic Acid: <i>trans</i>-[Co(C~7~H~4~NO~4~)~2~(H~2~O)~2~]
Acta Crystallographica Section C
52(7)
(1996)
1610-1612 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,154 | 9.57 | 0.002 | 15.15 | 0.004 | 14.602 | 0.002 | 90 | null | 99.21 | 0.02 | 90 | null | 2,089.8 | 0.8 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C24 H16 Cd Cl2 N4 - | - C24 H16 Cd Cl2 N4 - | - C96 H64 Cd4 Cl8 N16 - | 4 | 1 | MU1246 | Wang, H.; Xiong, R.-G.; Chen, H.-Y.; Huang, X.-Y.; You, X.-Z. | <i>cis</i>-Dichlorobis(1,10-phenanthroline-<i>N</i>^1^,<i>N</i>^10^)cadmium(II) | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1658 | 1661 | 10.1107/S0108270196002326 | 0.71069 | MoKα | null | 0.04 | null | null | 0.053 | null | null | null | null | 1.63 | 1.63 | null | null | null | has coordinates | Wang, H.; Xiong, R.-G.; Chen, H.-Y.; Huang, X.-Y.; You, X.-Z.
<i>cis</i>-Dichlorobis(1,10-phenanthroline-<i>N</i>^1^,<i>N</i>^10^)cadmium(II)
Acta Crystallographica Section C
52(7)
(1996)
1658-1661 | 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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2,005,155 | 16.363 | 0.002 | 5.8964 | 0.0004 | 16.347 | 0.001 | 90 | null | 96.84 | 0.01 | 90 | null | 1,566 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | (Pentafluorophhenyl)diphenylphosphine. | - C18 H10 F5 P - | - C18 H10 F5 P - | - C72 H40 F20 P4 - | 4 | 1 | MU1247 | bin Shawkataly, O.; Chong, M.-L.; Fun, H.-K.; Sivakumar, K. | (Pentafluorophenyl)diphenylphosphine | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1725 | 1727 | 10.1107/S0108270196001540 | 0.71073 | MoKα | 0.0759 | 0.0402 | null | 0.1266 | 0.1027 | null | null | null | 0.921 | 0.972 | 0.972 | null | null | null | has coordinates | bin Shawkataly, O.; Chong, M.-L.; Fun, H.-K.; Sivakumar, K.
(Pentafluorophenyl)diphenylphosphine
Acta Crystallographica Section C
52(7)
(1996)
1725-1727 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,156 | 8.222 | 0.002 | 12.244 | 0.003 | 17.277 | 0.004 | 90 | null | 99 | 0.01 | 90 | null | 1,717.9 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Methyl 2-Methoxycarbonylamino-3,3-diphenylpropionate | - C18 H19 N O4 - | - C18 H19 N O4 - | - C72 H76 N4 O16 - | 4 | 1 | MU1257 | Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A. | Methyl 2-Methoxycarbonylamino-3,3-diphenylpropionate, an Interesting Diphenylalanine (DIP) Derivative | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1789 | 1791 | 10.1107/S0108270196004052 | 0.71073 | MoKα | 0.2105 | 0.0742 | null | 0.2042 | 0.1431 | null | null | null | 1.015 | 1.234 | 1.234 | null | null | null | has coordinates | Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.
Methyl 2-Methoxycarbonylamino-3,3-diphenylpropionate, an Interesting Diphenylalanine (DIP) Derivative
Acta Crystallographica Section C
52(7)
(1996)
1789-1791 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,157 | 12.533 | 0.002 | 7.6536 | 0.0009 | 16.804 | 0.002 | 90 | null | 101.03 | 0.01 | 90 | null | 1,582.1 | 0.4 | 293 | null | null | null | null | null | null | null | 4 | P 1 2/n 1 | -P 2yac | 13 | - C15 H25 N3 O2 - | - C15 H25 N3 O2 - | - C60 H100 N12 O8 - | 4 | 1 | NA1214 | Saviano, M.; Lombardi, A.; Pavone, V.; Yamada, T.; Yanagi, T.; Iwamoto, A.; Kuwata, S. | A Racemic Bicyclic Acylamidine from a Tripeptide Derivative | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1705 | 1708 | 10.1107/S0108270196001102 | 1.54056 | CuKα | null | 0.045 | null | null | 0.042 | null | null | null | null | 0.802 | 0.802 | null | null | null | has coordinates,has disorder | Saviano, M.; Lombardi, A.; Pavone, V.; Yamada, T.; Yanagi, T.; Iwamoto, A.; Kuwata, S.
A Racemic Bicyclic Acylamidine from a Tripeptide Derivative
Acta Crystallographica Section C
52(7)
(1996)
1705-1708 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,158 | 9.835 | 0.001 | 13.484 | 0.001 | 5.44 | 0.001 | 93.51 | 0.01 | 93.68 | 0.01 | 91.462 | 0.01 | 718.27 | 0.16 | 293 | null | 20 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C15 H14 N2 O2 S - | - C15 H14 N2 O2 S - | - C30 H28 N4 O4 S2 - | 2 | 1 | NA1222 | Cao, Y.; Zhao, B.; Zhang, Y.-Q.; Zhang, D.-C. | 1-Benzoyl-3-(4-methoxyphenyl)thiourea | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1772 | 1774 | 10.1107/S0108270196001989 | 0.7107 | MoKα | null | 0.033 | null | null | 0.048 | null | null | null | null | 1.51 | 1.51 | null | null | null | has coordinates | Cao, Y.; Zhao, B.; Zhang, Y.-Q.; Zhang, D.-C.
1-Benzoyl-3-(4-methoxyphenyl)thiourea
Acta Crystallographica Section C
52(7)
(1996)
1772-1774 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,207 | 19.063 | 0.004 | 9.838 | 0.002 | 12.934 | 0.003 | 90 | null | 90 | null | 90 | null | 2,425.7 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | I b a m | -I 2 2c | 72 | bis((m2-cyclooctane-1,5-diyl-borane-oxo)dimethyl-gallium) | - C20 H40 B2 Ga2 O2 - | - C20 H44 B2 Ga2 O2 - | - C80 H176 B8 Ga8 O8 - | 4 | 0.25 | Romana Anulewicz-Ostrowska; Sergiusz Luliński; Janusz Serwatowski | Synthesis and Characterization of Dialkylmetal Boryloxides [(μ-9-BBN-9-O)MMe2]2, M = Al, Ga, In | Inorganic Chemistry | 1,999 | 38 | 3796 | 3800 | 10.1021/ic981454o | 1.54178 | CuKα | 0.0631 | 0.055 | null | 0.183 | 0.1659 | null | null | null | 1.118 | 1.134 | 1.134 | null | null | null | has coordinates | Romana Anulewicz-Ostrowska; Sergiusz Luliński; Janusz Serwatowski
Synthesis and Characterization of Dialkylmetal Boryloxides [(μ-9-BBN-9-O)MMe2]2, M = Al, Ga, In
Inorganic Chemistry
38
(1999)
3796-3800 | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,159 | 10.156 | 0.001 | 10.751 | 0.002 | 13.007 | 0.002 | 90 | null | 90 | null | 90 | null | 1,420.2 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Z-2-Phenyl-4-[(S)-2,2-dimethyl-1,3-dioxolan-4-ylmethylen]-5(4H)-oxazolone. | - C15 H15 N O4 - | - C15 H15 N O4 - | - C60 H60 N4 O16 - | 4 | 1 | NA1223 | Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I. | (<i>Z</i>)-4-[(<i>S</i>)-2,2-Dimethyl-1,3-dioxolan-4-ylmethylidene]-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1810 | 1813 | 10.1107/S0108270196004246 | 0.71073 | MoKα | 0.0742 | 0.0483 | null | 0.1561 | 0.1363 | null | null | null | 1.051 | 1.086 | 1.086 | null | null | null | has coordinates | Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.
(<i>Z</i>)-4-[(<i>S</i>)-2,2-Dimethyl-1,3-dioxolan-4-ylmethylidene]-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one
Acta Crystallographica Section C
52(7)
(1996)
1810-1813 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,160 | 4.809 | 0.003 | 17.846 | 0.004 | 8.825 | 0.005 | 90 | null | 93.68 | 0.03 | 90 | null | 755.8 | 0.7 | 293 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C14 H19 N3 O3 - | - C14 H19 N3 O3 - | - C28 H38 N6 O6 - | 2 | 1 | NA1224 | Puliti, R.; De Sena, C.; Mattia, C. A. | <i>N</i>-Acetyl-<small>L</small>-phenylalanyl-<small>L</small>-alaninamide | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1820 | 1823 | 10.1107/S0108270196002910 | 1.54056 | CuKα | null | 0.047 | null | null | 0.045 | null | null | null | null | 0.93 | 0.93 | null | null | null | has coordinates | Puliti, R.; De Sena, C.; Mattia, C. A.
<i>N</i>-Acetyl-<small>L</small>-phenylalanyl-<small>L</small>-alaninamide
Acta Crystallographica Section C
52(7)
(1996)
1820-1823 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,161 | 5.222 | 0.001 | 5.406 | 0.001 | 10.838 | 0.002 | 90.89 | 0.01 | 92.34 | 0.01 | 110.02 | 0.01 | 287.09 | 0.09 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | DL-Valine | - C5 H11 N O2 - | - C5 H11 N O2 - | - C10 H22 N2 O4 - | 2 | 1 | NA1226 | Dalhus, B.; Görbitz, C. H. | Triclinic Form of <small>DL</small>-Valine | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1759 | 1761 | 10.1107/S0108270196002491 | 0.71069 | MoKα | 0.0478 | 0.0452 | null | 0.1201 | 0.1177 | null | null | null | 1.141 | 1.163 | 1.163 | null | null | null | has coordinates | Dalhus, B.; Görbitz, C. H.
Triclinic Form of <small>DL</small>-Valine
Acta Crystallographica Section C
52(7)
(1996)
1759-1761 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,162 | 9.441 | 0.002 | 5.222 | 0.001 | 11.337 | 0.004 | 90 | null | 109 | 0.02 | 90 | null | 528.5 | 0.2 | 120 | 2 | 120 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | L-cysteine | - C3 H7 N O2 S - | - C3 H7 N O2 S - | - C12 H28 N4 O8 S4 - | 4 | 2 | NA1229 | Görbitz, C. H.; Dalhus, B. | <small>L</small>-Cysteine, Monoclinic Form, Redetermination at 120K | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1756 | 1759 | 10.1107/S0108270196003952 | 0.71069 | MoKα | 0.0323 | 0.0311 | null | 0.0836 | 0.0825 | null | null | null | 1.066 | 1.071 | 1.071 | null | null | null | has coordinates,has Fobs | Görbitz, C. H.; Dalhus, B.
<small>L</small>-Cysteine, Monoclinic Form, Redetermination at 120K
Acta Crystallographica Section C
52(7)
(1996)
1756-1759 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,163 | 9.743 | 0.006 | 19.027 | 0.004 | 6.973 | 0.003 | 90 | null | 100.68 | 0.04 | 90 | null | 1,270.3 | 1 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C7 H10 Cl N3 O4 S2 - | - C7 H10 Cl N3 O4 S2 - | - C28 H40 Cl4 N12 O16 S8 - | 4 | 1 | PA1190 | Pedregosa, J. C.; Borrás, J.; Fustero, S.; García-Granda, S.; Díaz, M. R. | A New Precursor of 1,3,4-Thiadiazolesulfonamides: 5-<i>tert</i>-Butyloxycarbonylamino-1,3,4-thiadiazole-2-sulfonyl Chloride | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1849 | 1851 | 10.1107/S0108270196000017 | 0.71073 | MoKα | null | 0.036 | null | null | 0.036 | null | null | null | null | 2.027 | 2.027 | null | null | null | has coordinates | Pedregosa, J. C.; Borrás, J.; Fustero, S.; García-Granda, S.; Díaz, M. R.
A New Precursor of 1,3,4-Thiadiazolesulfonamides: 5-<i>tert</i>-Butyloxycarbonylamino-1,3,4-thiadiazole-2-sulfonyl Chloride
Acta Crystallographica Section C
52(7)
(1996)
1849-1851 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,164 | 33.979 | 0.007 | 6.398 | 0.001 | 16.999 | 0.003 | 90 | null | 71.69 | 0.03 | 90 | null | 3,508.4 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | Chromen | 3,3-diphenyl-[3H]-naphto[2,1-b]pyrane | - C25 H18 O - | - C25 H18 O - | - C200 H144 O8 - | 8 | 1 | PA1201 | Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R. | Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1834 | 1838 | 10.1107/S0108270195016209 | 0.71069 | MoKα | 0.0633 | 0.05 | null | 0.0633 | 0.05 | null | null | null | 1.052 | 1.052 | 1.052 | null | null | null | has coordinates | Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R.
Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes
Acta Crystallographica Section C
52(7)
(1996)
1834-1838 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,165 | 12.554 | 0.008 | 10.631 | 0.007 | 17.393 | 0.009 | 90 | null | 106.12 | 0.02 | 90 | null | 2,230 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | Chromen | 1,3,3-triphenyl-[3H]-naphto[2,1-b]pyrane | - C31 H22 O - | - C31 H22 O - | - C124 H88 O4 - | 4 | 1 | PA1201 | Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R. | Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1834 | 1838 | 10.1107/S0108270195016209 | 0.71069 | MoKα | 0.226 | 0.051 | null | 0.226 | 0.051 | null | null | null | 1.16 | 1.701 | 1.701 | null | null | null | has coordinates | Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R.
Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes
Acta Crystallographica Section C
52(7)
(1996)
1834-1838 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,166 | 10.531 | 0.006 | 21.637 | 0.009 | 8.55 | 0.007 | 90 | null | 99.98 | 0.02 | 90 | null | 1,919 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | Chromen | 3,3-diphenyl-8,9-pentamethyl-[3H]-furano[3,2-f]chromene or 7,7-diphenyl-[7H]-benzofurano[2,3-g]chromene | - C27 H18 O2 - | - C27 H18 O2 - | - C108 H72 O8 - | 4 | 1 | PA1201 | Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R. | Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1834 | 1838 | 10.1107/S0108270195016209 | 1.54178 | CuKα | 0.0551 | 0.0432 | null | 0.0551 | 0.0432 | null | null | null | 0.75 | 0.75 | 0.75 | null | null | null | has coordinates | Aldoshin, S.; Chuev, I.; Utenyshev, A.; Filipenko, O.; Pozzo, J. L.; Lokshin, V.; Guglielmetti, R.
Specific Structural Features and Photochemical Properties of Three Benzo-Annulated 2,2-Diphenyl[2<i>H</i>]chromenes
Acta Crystallographica Section C
52(7)
(1996)
1834-1838 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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4,322,206 | 19.142 | 0.004 | 9.876 | 0.002 | 12.846 | 0.003 | 90 | null | 90 | null | 90 | null | 2,428.5 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | I b a 2 | I 2 -2c | 45 | bis((m2-cyclooctane-1,5-diyl-borane-oxo) dimethylaluminum) | - C20 H40 Al2 B2 O2 - | - C20 H40 Al2 B2 O2 - | - C80 H160 Al8 B8 O8 - | 4 | 0.5 | Romana Anulewicz-Ostrowska; Sergiusz Luliński; Janusz Serwatowski | Synthesis and Characterization of Dialkylmetal Boryloxides [(μ-9-BBN-9-O)MMe2]2, M = Al, Ga, In | Inorganic Chemistry | 1,999 | 38 | 3796 | 3800 | 10.1021/ic981454o | 1.54178 | CuKα | 0.07 | 0.0568 | null | 0.1567 | 0.1437 | null | null | null | 1.082 | 1.122 | 1.122 | null | null | null | has coordinates | Romana Anulewicz-Ostrowska; Sergiusz Luliński; Janusz Serwatowski
Synthesis and Characterization of Dialkylmetal Boryloxides [(μ-9-BBN-9-O)MMe2]2, M = Al, Ga, In
Inorganic Chemistry
38
(1999)
3796-3800 | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:23:19 +0200 (Wed, 23 Mar 2016) $
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2,005,167 | 6.933 | 0.002 | 22.519 | 0.004 | 7.408 | 0.002 | 90 | null | 94.6 | 0.03 | 90 | null | 1,152.8 | 0.5 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | γ-Lactone | methyl 11-oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate | - C12 H16 O4 - | - C12 H16 O4 - | - C48 H64 O16 - | 4 | 1 | PA1219 | Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P. | γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1695 | 1699 | 10.1107/S010827019600193X | 1.5418 | CuKα | 0.0479 | 0.0479 | null | 0.0479 | 0.0479 | null | null | null | 0.71 | 0.71 | 0.71 | null | null | null | has coordinates | Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.
γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate
Acta Crystallographica Section C
52(7)
(1996)
1695-1699 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,168 | 7.116 | 0.002 | 23.074 | 0.004 | 7.266 | 0.002 | 90 | null | 100.45 | 0.03 | 90 | null | 1,173.2 | 0.5 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | γ-Lactone | methyl 11-oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate | - C12 H16 O4 - | - C12 H16 O4 - | - C48 H64 O16 - | 4 | 1 | PA1219 | Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P. | γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1695 | 1699 | 10.1107/S010827019600193X | 1.5418 | CuKα | 0.0424 | 0.0424 | null | 0.0424 | 0.0424 | null | null | null | 0.64 | 0.64 | 0.64 | null | null | null | has coordinates | Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.
γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate
Acta Crystallographica Section C
52(7)
(1996)
1695-1699 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,169 | 7.147 | 0.002 | 23.199 | 0.004 | 7.357 | 0.002 | 90 | null | 100.5 | 0.03 | 90 | null | 1,199.4 | 0.5 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | γ-Lactone | methyl 9-oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate | - C12 H18 O4 - | - C12 H18 O4 - | - C48 H72 O16 - | 4 | 1 | PA1219 | Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P. | γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1695 | 1699 | 10.1107/S010827019600193X | 1.5418 | CuKα | 0.0442 | 0.0442 | null | 0.0442 | 0.0442 | null | null | null | 0.66 | 0.66 | 0.66 | null | null | null | has coordinates | Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.
γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate
Acta Crystallographica Section C
52(7)
(1996)
1695-1699 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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4,322,205 | 14.8756 | 0.0008 | 16.7514 | 0.0009 | 26.1874 | 0.0015 | 90 | null | 91.796 | 0.001 | 90 | null | 6,522.4 | 0.6 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C74 H75 Hf N7 - | - C67 H67 Hf N7 - | - C268 H268 Hf4 N28 - | 4 | 1 | Joseph L. Thorman; Ilia A. Guzei; Victor G. Young; L. Keith Woo | Synthesis, Structure, and Reactivity of Zirconium and Hafnium Imido Metalloporphyrins | Inorganic Chemistry | 1,999 | 38 | 3814 | 3824 | 10.1021/ic981399j | 0.71073 | MoKα | 0.0401 | 0.0316 | null | null | 0.0814 | 0.085 | null | null | null | null | null | 1.027 | null | null | has coordinates | Joseph L. Thorman; Ilia A. Guzei; Victor G. Young; L. Keith Woo
Synthesis, Structure, and Reactivity of Zirconium and Hafnium Imido Metalloporphyrins
Inorganic Chemistry
38
(1999)
3814-3824 | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,170 | 14.424 | 0.004 | 14.424 | 0.004 | 9.996 | 0.006 | 90 | null | 90 | null | 120 | null | 1,801.1 | 1.3 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 61 | P 61 | 169 | - C8 H16 N2 O3 - | - C8 H16 N2 O3 - | - C48 H96 N12 O18 - | 6 | 1 | PA1220 | Görbitz, C. H.; Gundersen, E. | <small>L</small>-Valyl-<small>L</small>-alanine | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1764 | 1767 | 10.1107/S0108270196002302 | 0.71069 | MoKα | 0.2111 | 0.0854 | null | 0.1685 | 0.1326 | null | null | null | 0.954 | 1.257 | 1.257 | null | null | null | has coordinates | Görbitz, C. H.; Gundersen, E.
<small>L</small>-Valyl-<small>L</small>-alanine
Acta Crystallographica Section C
52(7)
(1996)
1764-1767 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,171 | 9.562 | 0.002 | 5.301 | 0.001 | 14.519 | 0.003 | 90 | null | 94.2 | 0.02 | 90 | null | 734 | 0.3 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | L-leucine | - C6 H13 N O2 - | - C6 H13 N O2 - | - C24 H52 N4 O8 - | 4 | 2 | PA1221 | Görbitz, C. H.; Dalhus, B. | Redetermination of <small>L</small>-Leucine at 120K | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1754 | 1756 | 10.1107/S0108270196002296 | 0.71069 | MoKα | 0.0491 | 0.0435 | null | 0.1044 | 0.1015 | null | null | null | 1.086 | 1.116 | 1.116 | null | null | null | has coordinates | Görbitz, C. H.; Dalhus, B.
Redetermination of <small>L</small>-Leucine at 120K
Acta Crystallographica Section C
52(7)
(1996)
1754-1756 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,172 | 6.2084 | 0.0007 | 13.0294 | 0.0014 | 15.0456 | 0.0011 | 90 | null | 95.709 | 0.006 | 90 | null | 1,211 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 3-(Isopropylamino)-4-methyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide | - C10 H14 N4 O2 S - | - C10 H14 N4 O2 S - | - C40 H56 N16 O8 S4 - | 4 | 1 | PA1225 | Dupont, L.; Pirotte, B.; de Tullio, P.; Delarge, J. | 3-Isopropylamino-4-methyl-4<i>H</i>-pyrido[4,3-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1741 | 1743 | 10.1107/S0108270196001941 | 1.5418 | CuKα | 0.0588 | 0.0465 | null | 0.1519 | 0.1458 | null | null | null | 1.072 | 1.186 | 1.186 | null | null | null | has coordinates | Dupont, L.; Pirotte, B.; de Tullio, P.; Delarge, J.
3-Isopropylamino-4-methyl-4<i>H</i>-pyrido[4,3-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide
Acta Crystallographica Section C
52(7)
(1996)
1741-1743 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,173 | 31.067 | 0.005 | 4.717 | 0.001 | 9.851 | 0.002 | 90 | null | 91.37 | 0.02 | 90 | null | 1,443.2 | 0.5 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | DL-Norleucine | - C6 H13 N O2 - | - C6 H13 N O2 - | - C48 H104 N8 O16 - | 8 | 1 | PA1228 | Dalhus, B.; Görbitz, C. H. | <small>DL</small>-Norleucine, β Form at 120K | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1761 | 1764 | 10.1107/S0108270196003642 | 0.71069 | MoKα | 0.1023 | 0.0572 | null | 0.121 | 0.1075 | null | null | null | 0.914 | 1.035 | 1.035 | null | null | null | has coordinates | Dalhus, B.; Görbitz, C. H.
<small>DL</small>-Norleucine, β Form at 120K
Acta Crystallographica Section C
52(7)
(1996)
1761-1764 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,174 | 22.934 | 0.005 | 21.728 | 0.004 | 11.217 | 0.002 | 90 | null | 90 | null | 90 | null | 5,589.5 | 1.9 | 193 | 2 | 193 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | 6,9-Di(hydroxymethyl)-3',4,11-trimethoxy-5'-[2''-hydroxy-5''- hydroxymethyl-3''-methoxyphenyl]dibenzo[d,f][1,3]dioxepin-2-spiro- 4'-cyclohexa-2',5'-dienone | - C31 H30 O11 - | - C31 H30 O11 - | - C248 H240 O88 - | 8 | 1 | PA1229 | Pajunen, A.; Karhunen, P.; Brunow, G. | 5'-(2-Hydroxy-5-hydroxymethyl-3-methoxyphenyl)-6,9-bis(hydroxymethyl)-3',4,11-trimethoxydibenzo[<i>d</i>,<i>f</i>][1,3]dioxepine-2-spiro-4'-cyclohexa-2',5'-dienone | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1815 | 1817 | 10.1107/S0108270196003654 | 0.71073 | MoKα | 0.0927 | 0.0547 | null | 0.1379 | 0.1259 | null | null | null | 0.861 | 1.138 | 1.138 | null | null | null | has coordinates | Pajunen, A.; Karhunen, P.; Brunow, G.
5'-(2-Hydroxy-5-hydroxymethyl-3-methoxyphenyl)-6,9-bis(hydroxymethyl)-3',4,11-trimethoxydibenzo[<i>d</i>,<i>f</i>][1,3]dioxepine-2-spiro-4'-cyclohexa-2',5'-dienone
Acta Crystallographica Section C
52(7)
(1996)
1815-1817 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,175 | 10.788 | 0.006 | 8.748 | 0.004 | 8.966 | 0.004 | 103.91 | 0.04 | 111.14 | 0.03 | 103.85 | 0.05 | 714.7 | 0.7 | 293 | null | 293 | null | null | null | null | null | 6 | P 1 | P 1 | 1 | - C12 H44 Co N8 O16 P3 - | - C12 H44 Co N8 O16 P3 - | - C12 H44 Co N8 O16 P3 - | 1 | 1 | PT1022 | Bacchi, A.; Ferranti, F.; Pelizzi, G. | Conformation and Packing of Cobalt(III) Sepulchrate Dihydrogentriphosphate Hexahydrate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1624 | 1627 | 10.1107/S0108270196001412 | 0.7107 | MoKα | null | 0.0278 | null | null | 0.038 | null | null | null | null | null | null | null | null | null | has coordinates | Bacchi, A.; Ferranti, F.; Pelizzi, G.
Conformation and Packing of Cobalt(III) Sepulchrate Dihydrogentriphosphate Hexahydrate
Acta Crystallographica Section C
52(7)
(1996)
1624-1627 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,176 | 11.721 | 0.003 | 15.778 | 0.002 | 20.879 | 0.004 | 90 | 0.02 | 90 | 0.02 | 90 | 0.02 | 3,861.2 | 1.3 | 293 | null | 293 | null | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | - C42 H42 O5 S2 - | - C42 H42 O5 S2 - | - C168 H168 O20 S8 - | 4 | 1 | PT1030 | Kabaleeswaran, V.; Rajan, S. S.; Kannan, A.; Rajakumar, P. | A New Cyclophane | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1729 | 1731 | 10.1107/S0108270196001400 | 1.5418 | CuKα | 0.095 | 0.07 | null | 0.101 | 0.077 | null | null | null | 1.11 | 1.04 | 1.04 | null | null | null | has coordinates | Kabaleeswaran, V.; Rajan, S. S.; Kannan, A.; Rajakumar, P.
A New Cyclophane
Acta Crystallographica Section C
52(7)
(1996)
1729-1731 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,177 | 7.259 | 0.001 | 12.204 | 0.002 | 30.275 | 0.003 | 90 | null | 90.779 | 0.009 | 90 | null | 2,681.8 | 0.6 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C7 H3 Cl3 O2 - | - C7 H3 Cl3 O2 - | - C84 H36 Cl36 O24 - | 12 | 3 | PT1041 | Lalancette, R. A.; Stringer, J. A.; Coté, M. L. | 2,4,6-Trichlorobenzoic Acid: Structure and Hydrogen-Bonding Pattern | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1801 | 1804 | 10.1107/S0108270196001369 | 0.71073 | MoKα | null | 0.045 | null | null | 0.047 | null | null | null | null | 1.03 | 1.03 | null | null | null | has coordinates | Lalancette, R. A.; Stringer, J. A.; Coté, M. L.
2,4,6-Trichlorobenzoic Acid: Structure and Hydrogen-Bonding Pattern
Acta Crystallographica Section C
52(7)
(1996)
1801-1804 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,178 | 13.671 | 0.003 | 13.671 | 0.003 | 11.4 | 0.003 | 90 | null | 90 | null | 120 | null | 1,845.2 | 0.8 | 223 | null | 223 | null | null | null | null | null | 6 | P 63 | null | dibromo(tris(diphenylamido)niobium(V) | - C40 H38 Br2 N3 Nb O - | - C54 H30 Br2 N3 Nb - | - C108 H60 Br4 N6 Nb2 - | 2 | 0.333333 | SK1001 | Hoffman, D. M.; Rangarajan, S. P. | A Diphenylamido‒Bromide Complex of Niobium: Dibromo[tris(diphenylamido)]niobium(V) Tetrahydrofuran Solvate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1616 | 1618 | 10.1107/S010827019600087X | 0.71073 | MolybdenumKα | null | 0.029 | null | null | 0.026 | null | null | null | null | 2.2 | 2.2 | null | null | null | has coordinates | Hoffman, D. M.; Rangarajan, S. P.
A Diphenylamido‒Bromide Complex of Niobium: Dibromo[tris(diphenylamido)]niobium(V) Tetrahydrofuran Solvate
Acta Crystallographica Section C
52(7)
(1996)
1616-1618 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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4,322,204 | 12.9237 | 0.0008 | 16.3912 | 0.001 | 16.659 | 0.001 | 97.137 | 0.001 | 105.196 | 0.001 | 100.532 | 0.001 | 3,292.6 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C80 H77 N6 O Zr - | - C80 H77 N6 O Zr - | - C160 H154 N12 O2 Zr2 - | 2 | 1 | Joseph L. Thorman; Ilia A. Guzei; Victor G. Young; L. Keith Woo | Synthesis, Structure, and Reactivity of Zirconium and Hafnium Imido Metalloporphyrins | Inorganic Chemistry | 1,999 | 38 | 3814 | 3824 | 10.1021/ic981399j | 0.71073 | MoKα | 0.0785 | 0.0547 | null | null | 0.1457 | 0.158 | null | null | null | null | null | 0.995 | null | null | has coordinates | Joseph L. Thorman; Ilia A. Guzei; Victor G. Young; L. Keith Woo
Synthesis, Structure, and Reactivity of Zirconium and Hafnium Imido Metalloporphyrins
Inorganic Chemistry
38
(1999)
3814-3824 | 301,838 | 2025-08-20 | 22:17:36 | #------------------------------------------------------------------------------
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2,005,179 | 13.473 | 0.002 | 25.444 | 0.004 | 16.158 | 0.004 | 90 | null | 100.01 | 0.02 | 90 | null | 5,454.8 | 1.8 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | PNP tetrakis(pentafluorphenyl)gallat | Bis(triphenylphosphin)iminium tetrakis(pentafluorphenyl)gallat | - C60 H30 F20 Ga N P2 - | - C60 H30 F20 Ga N P2 - | - C240 H120 F80 Ga4 N4 P8 - | 4 | 1 | SK1002 | Tebbe, K.-F.; Gilles, T.; Conrad, F.; Tyrra, W. | Bis(triphenylphosphin)iminium-Tetrakis(pentafluorphenyl)gallat | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1663 | 1666 | 10.1107/S0108270196001321 | 0.71069 | MoKα | 0.2127 | 0.0741 | null | 0.0871 | 0.0607 | null | null | null | 0.986 | 1.218 | 1.218 | null | null | null | has coordinates | Tebbe, K.-F.; Gilles, T.; Conrad, F.; Tyrra, W.
Bis(triphenylphosphin)iminium-Tetrakis(pentafluorphenyl)gallat
Acta Crystallographica Section C
52(7)
(1996)
1663-1666 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,180 | 9.808 | 0.001 | 11.591 | 0.002 | 17.86 | 0.001 | 90 | null | 90 | null | 90 | null | 2,030.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | 2,2'-biphenol monohydrate | - C12 H12 O3 - | - C12 H12 O3 - | - C96 H96 O24 - | 8 | 1 | SK1012 | Chen, X.-M.; Luo, G.-B.; Tong, M.-L.; Zhou, Z.-Y. | 2,2'-Biphenol Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1727 | 1729 | 10.1107/S0108270196002065 | 0.71073 | MoKα | 0.0772 | 0.0474 | null | 0.1422 | 0.1211 | null | null | null | 1.022 | 1.084 | 1.084 | null | null | null | has coordinates | Chen, X.-M.; Luo, G.-B.; Tong, M.-L.; Zhou, Z.-Y.
2,2'-Biphenol Monohydrate
Acta Crystallographica Section C
52(7)
(1996)
1727-1729 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,181 | 10.903 | 0.001 | 10.903 | 0.001 | 14.813 | 0.002 | 90 | null | 90 | null | 90 | null | 1,760.9 | 0.3 | 173 | 1 | 173 | 1 | null | null | null | null | 3 | P 41 | P 4w | 76 | 1,2:5,6-di-O-isopropylidene-3-C-ethoxycarbonylmethyl-α-D-allofuranose | - C16 H26 O7 - | - C16 H26 O7 - | - C64 H104 O28 - | 4 | 1 | SX1012 | Linden, A.; Lee, C. K.; Siew, K. F. | 3-Deoxy-3-<i>C</i>-ethoxycarbonylmethyl-1,2:5,6-di-<i>O</i>-isopropylidene-α-<small>D</small>-allofuranose at 173K | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1797 | 1799 | 10.1107/S0108270196001151 | 0.71069 | MoKα | 0.0655 | 0.0418 | null | 0.0377 | 0.0353 | null | null | null | null | 1.733 | 1.733 | null | null | null | has coordinates | Linden, A.; Lee, C. K.; Siew, K. F.
3-Deoxy-3-<i>C</i>-ethoxycarbonylmethyl-1,2:5,6-di-<i>O</i>-isopropylidene-α-<small>D</small>-allofuranose at 173K
Acta Crystallographica Section C
52(7)
(1996)
1797-1799 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,182 | 11.002 | 0.004 | 12.962 | 0.005 | 13.643 | 0.006 | 103.94 | 0.03 | 92.1 | 0.03 | 97.31 | 0.03 | 1,868.4 | 1.3 | 298 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C12 H11 N3 O4 - | - C12 H11 N3 O4 - | - C72 H66 N18 O24 - | 6 | 3 | SZ1002 | Singh, P.; Izydore, R. A. | 1,2-Diacetyl-4-phenyl-1,2,4-triazolidine-3,5-dione | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1817 | 1820 | 10.1107/S0108270196000947 | 0.71073 | MoKα | null | 0.067 | null | null | 0.078 | null | null | null | null | 1.3 | 1.3 | null | null | null | has coordinates | Singh, P.; Izydore, R. A.
1,2-Diacetyl-4-phenyl-1,2,4-triazolidine-3,5-dione
Acta Crystallographica Section C
52(7)
(1996)
1817-1820 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,183 | 9.811 | 0.003 | 12.845 | 0.002 | 22.107 | 0.003 | 90 | null | 96.65 | 0.03 | 90 | null | 2,767.2 | 1 | 293 | 2 | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H12 N2 O3 S - | - C14 H12 N2 O3 S - | - C112 H96 N16 O24 S8 - | 8 | 2 | SZ1026 | Pomés Hernández, R.; Duque Rodríguez, J.; Novoa de Armas, H.; Toscano, R. A. | Ethyl Cyano(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1731 | 1733 | 10.1107/S0108270195017227 | 0.71073 | MoKα | null | 0.06 | null | null | 0.114 | null | null | null | null | 1.12 | 1.12 | null | null | null | has coordinates | Pomés Hernández, R.; Duque Rodríguez, J.; Novoa de Armas, H.; Toscano, R. A.
Ethyl Cyano(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetate
Acta Crystallographica Section C
52(7)
(1996)
1731-1733 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,184 | 9.937 | 0.004 | 9.192 | 0.001 | 14.417 | 0.003 | 90 | null | 90 | null | 90 | null | 1,316.9 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 2-chlorobenzimidazole | - C7 H5 Cl N2 - | - C7 H5 Cl N2 - | - C56 H40 Cl8 N16 - | 8 | 1 | SZ1041 | Panneerselvam, K.; Soriano-García, M. | 2-Chlorobenzimidazole | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1799 | 1801 | 10.1107/S0108270195017203 | 1.54178 | CuKα | 0.0499 | 0.0482 | null | 0.1736 | 0.1515 | null | null | null | 1.231 | 1.259 | 1.259 | null | null | null | has coordinates | Panneerselvam, K.; Soriano-García, M.
2-Chlorobenzimidazole
Acta Crystallographica Section C
52(7)
(1996)
1799-1801 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,185 | 6.322 | 0.001 | 13.476 | 0.001 | 9.115 | 0.002 | 90 | null | 106.54 | 0.01 | 90 | null | 744.4 | 0.2 | 213 | 1 | 213 | 1 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C12 H11 Br4 N O2 - | - C12 H11 Br4 N O2 - | - C24 H22 Br8 N2 O4 - | 2 | 1 | TA1058 | Banwell, M. G.; Forman, G. S.; Hockless, D. C. R. | (3a<i>R</i>,3b<i>S</i>,4a<i>R</i>,4b<i>R</i>,5a<i>R</i>,5b<i>S</i>)-4,4,8,8-Tetrabromo-2,2-dimethylperhydrodicyclopropa[<i>e</i>,<i>g</i>][1,3]benzodioxole-3b-carbonitrile | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1804 | 1806 | 10.1107/S0108270195015319 | 1.5418 | CuKα | null | 0.0272 | null | null | 0.0325 | null | null | null | null | 2.798 | 2.798 | null | null | null | has coordinates | Banwell, M. G.; Forman, G. S.; Hockless, D. C. R.
(3a<i>R</i>,3b<i>S</i>,4a<i>R</i>,4b<i>R</i>,5a<i>R</i>,5b<i>S</i>)-4,4,8,8-Tetrabromo-2,2-dimethylperhydrodicyclopropa[<i>e</i>,<i>g</i>][1,3]benzodioxole-3b-carbonitrile
Acta Crystallographica Section C
52(7)
(1996)
1804-1806 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,186 | 7.623 | 0.002 | 9.046 | 0.002 | 15.768 | 0.003 | 80.06 | 0.02 | 86.19 | 0.02 | 72.03 | 0.01 | 1,018.7 | 0.4 | 213 | 1 | 213 | 1 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C20.5 H24 Br N O6.5 - | - C21.5 H27 Br N O7 - | - C43 H54 Br2 N2 O14 - | 2 | 1 | TA1059 | Banwell, M. G.; Hockless, D. C. R.; Peters, S. C. | A C(10)-Oxygenated <i>ABC</i>-Ring Analogue of Paclitaxel (Taxol^T^^M^) | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1832 | 1834 | 10.1107/S0108270195015332 | 1.5418 | CuKα | null | 0.0366 | null | null | 0.0461 | null | null | null | null | 2.904 | 2.904 | null | null | null | has coordinates | Banwell, M. G.; Hockless, D. C. R.; Peters, S. C.
A C(10)-Oxygenated <i>ABC</i>-Ring Analogue of Paclitaxel (Taxol^T^^M^)
Acta Crystallographica Section C
52(7)
(1996)
1832-1834 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,005,187 | 5.894 | 0.002 | 7.234 | 0.003 | 8.307 | 0.003 | 90.68 | 0.03 | 102.81 | 0.03 | 103.45 | 0.03 | 335.1 | 0.2 | 158 | 2 | 158 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 5-BAP hydrochloride | 2-Amino-5-bromopyrimidinium chloride | - C4 H5 Br Cl N3 - | - C4 H5 Br Cl N3 - | - C8 H10 Br2 Cl2 N6 - | 2 | 1 | TA1066 | Prince, B. J.; Turnbull, M. M. | 2-Amino-5-bromopyrimidinium Chloride | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1843 | 1844 | 10.1107/S0108270195016751 | 0.71073 | MoKα | 0.116 | 0.063 | null | 0.318 | 0.1365 | null | null | null | 1.05 | 0.998 | 0.998 | null | null | null | has coordinates | Prince, B. J.; Turnbull, M. M.
2-Amino-5-bromopyrimidinium Chloride
Acta Crystallographica Section C
52(7)
(1996)
1843-1844 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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4,322,203 | 13.5421 | 0.001 | 15.4623 | 0.0011 | 16.7239 | 0.0012 | 98.0192 | 0.0014 | 100.834 | 0.0014 | 113.989 | 0.0011 | 3,050 | 0.4 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C72 H74 N6 O Zr - | - C65 H62 N6 O Zr - | - C130 H124 N12 O2 Zr2 - | 2 | 1 | Joseph L. Thorman; Ilia A. Guzei; Victor G. Young; L. Keith Woo | Synthesis, Structure, and Reactivity of Zirconium and Hafnium Imido Metalloporphyrins | Inorganic Chemistry | 1,999 | 38 | 3814 | 3824 | 10.1021/ic981399j | 0.71073 | MoKα | 0.0418 | 0.034 | null | null | 0.091 | 0.0954 | null | null | null | null | null | 0.999 | null | null | has coordinates | Joseph L. Thorman; Ilia A. Guzei; Victor G. Young; L. Keith Woo
Synthesis, Structure, and Reactivity of Zirconium and Hafnium Imido Metalloporphyrins
Inorganic Chemistry
38
(1999)
3814-3824 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,188 | 18.749 | 0.004 | 8.025 | 0.002 | 15.115 | 0.003 | 90 | null | 95.84 | 0.02 | 90 | null | 2,262.4 | 0.9 | 296 | null | 296 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | 5,8,11,14-tetraoxa-2,17-dithiabicyclo[16.4.1]tricosa- 1(22),18,20-trien-23-one HgCl~2~ complex | - C17 H24 Cl2 Hg O5 S2 - | - C17 H24 Cl2 Hg O5 S2 - | - C68 H96 Cl8 Hg4 O20 S8 - | 4 | 1 | TA1067 | Kubo, K.; Mori, A.; Kato, N.; Takeshita, H. | Preferential Coordination of Mercury(II) to Oxygen over Sulfur Atoms in a Tropone-Attached Dithiocrown Ether | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1656 | 1658 | 10.1107/S0108270196002077 | 1.54184 | CuKα | 0.0777 | 0.0635 | null | 0.1909 | 0.16 | null | null | null | 1.136 | 1.119 | 1.119 | null | null | null | has coordinates | Kubo, K.; Mori, A.; Kato, N.; Takeshita, H.
Preferential Coordination of Mercury(II) to Oxygen over Sulfur Atoms in a Tropone-Attached Dithiocrown Ether
Acta Crystallographica Section C
52(7)
(1996)
1656-1658 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,189 | 10.387 | 0.005 | 17.411 | 0.007 | 8.1633 | 0.0008 | 90 | null | 90 | null | 90 | null | 1,476.3 | 0.9 | 293 | 2 | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C15 H17 N3 O3 - | - C15 H17 N3 O3 - | - C60 H68 N12 O12 - | 4 | 1 | TA1079 | Hirayama, N.; Arai, H.; Kasai, M. | Structural Studies of Mitomycins. VII. Mitomycin G | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1806 | 1808 | 10.1107/S0108270196000807 | 1.54184 | CuKα | null | 0.043 | null | null | 0.063 | null | null | null | null | 2.22 | 2.22 | null | null | null | has coordinates | Hirayama, N.; Arai, H.; Kasai, M.
Structural Studies of Mitomycins. VII. Mitomycin G
Acta Crystallographica Section C
52(7)
(1996)
1806-1808 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,005,190 | 11.641 | 0.006 | 12.245 | 0.008 | 26.446 | 0.005 | 90 | null | 90 | null | 90 | null | 3,770 | 3 | 296 | 1 | 296 | 1 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C40 H40 Cl2 P4 Ru - | - C40 H40 Cl2 P4 Ru - | - C160 H160 Cl8 P16 Ru4 - | 4 | 1 | TA1085 | Hockless, D. C. R.; Wild, S. B.; McDonagh, A. M.; Whittall, I. R.; Humphrey, M. G. | <i>trans</i>-Dichlorobis[(<i>R</i>,<i>R</i>)-1,2-phenylenebis(methylphenylphosphine-<i>P</i>)]ruthenium(II) | Acta Crystallographica Section C | 1,996 | 52 | 7 | 1639 | 1641 | 10.1107/S0108270196003009 | 0.7107 | MoKα | null | 0.0251 | null | null | 0.019 | null | null | null | null | 1.874 | 1.874 | null | null | null | has coordinates | Hockless, D. C. R.; Wild, S. B.; McDonagh, A. M.; Whittall, I. R.; Humphrey, M. G.
<i>trans</i>-Dichlorobis[(<i>R</i>,<i>R</i>)-1,2-phenylenebis(methylphenylphosphine-<i>P</i>)]ruthenium(II)
Acta Crystallographica Section C
52(7)
(1996)
1639-1641 | 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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2,005,191 | 10.664 | 0.003 | 14.088 | 0.005 | 12.494 | 0.002 | 90 | null | 110.6 | 0.1 | 90 | null | 1,757 | 1.4 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | {1-[(2-Hydroxy-4-methylphenyl)iminomethyl]phenyl-2-olato-O,O',N}- piperidinenickel(II) | - C19 H22 N2 Ni O2 - | - C19 H22 N2 Ni O2 - | - C76 H88 N8 Ni4 O8 - | 4 | 1 | AB1328 | Atakol, O.; Kenar, A.; Ercan, F.; Sari, M.; Yaugbasan, R. | {4-Methyl-2-[(2-oxidobenzylidene)amino]phenol-ato(2–)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II) | Acta Crystallographica Section C | 1,996 | 52 | 8 | 1881 | 1884 | 10.1107/S0108270196003484 | 0.71073 | MoKα | null | 0.059 | null | null | 0.06 | null | null | null | null | 1.54 | 1.54 | null | null | null | has coordinates | Atakol, O.; Kenar, A.; Ercan, F.; Sari, M.; Yaugbasan, R.
{4-Methyl-2-[(2-oxidobenzylidene)amino]phenol-ato(2–)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)
Acta Crystallographica Section C
52(8)
(1996)
1881-1884 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,192 | 9.179 | 0.002 | 11.104 | 0.003 | 12.202 | 0.002 | 84.08 | 0.02 | 83.98 | 0.01 | 75.52 | 0.02 | 1,193.7 | 0.5 | 120 | 2 | 120 | 2 | null | null | null | null | 4 | P 1 | P 1 | 1 | Gly-Leu-Tyr | Glysyl-L-Leucyl-L-Tyrosin 2 H~2~O 2-propanol | - C20 H37 N3 O8 - | - C20 H37 N3 O8 - | - C40 H74 N6 O16 - | 2 | 2 | AB1338 | Dalhus, B.; Görbitz, C. H. | Glycyl-<small>L</small>-Leucyl-<small>L</small>-Tyrosine Dihydrate 2-Propanol Solvate | Acta Crystallographica Section C | 1,996 | 52 | 8 | 2087 | 2090 | 10.1107/S0108270196002041 | 0.71069 | MoKα | 0.1068 | 0.0789 | null | 0.2492 | 0.222 | null | null | null | 1.076 | 1.165 | 1.165 | null | null | null | has coordinates,has disorder | Dalhus, B.; Görbitz, C. H.
Glycyl-<small>L</small>-Leucyl-<small>L</small>-Tyrosine Dihydrate 2-Propanol Solvate
Acta Crystallographica Section C
52(8)
(1996)
2087-2090 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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