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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,005,367 | 20.345 | 0.003 | 10.316 | 0.002 | 6.482 | 0.001 | 90 | null | 90 | null | 90 | null | 1,360.4 | 0.4 | 295.2 | null | 295.2 | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | - C13 H15 Br2 N O2 - | - C11.5 H13.5 Br2 N0.5 O2 - | - C46 H54 Br8 N2 O8 - | 4 | 0.5 | HA1163 | Beddoes, R. L.; Zhao, Y.; Joule, J. A. | 3a,7a-Dibromo-2-butyl-4,7-methano-1,3,3a,4,7,7a-hexahydro-2<i>H</i>-isoindole-1,3-dione from the Reaction of 3,4-Dibromo-1-butylmaleimide with Cyclopentadiene | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2313 | 2315 | 10.1107/S0108270196007950 | 0.7107 | MoKα | 0.1223 | 0.0371 | null | 0.0313 | 0.0245 | null | null | null | 1.271 | 1.477 | 1.477 | null | null | null | has coordinates | Beddoes, R. L.; Zhao, Y.; Joule, J. A.
3a,7a-Dibromo-2-butyl-4,7-methano-1,3,3a,4,7,7a-hexahydro-2<i>H</i>-isoindole-1,3-dione from the Reaction of 3,4-Dibromo-1-butylmaleimide with Cyclopentadiene
Acta Crystallographica Section C
52(9)
(1996)
2313-2315 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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4,322,176 | 9.234 | 0.004 | 13.858 | 0.003 | 25.79 | 0.003 | 90 | null | 90.532 | 0.002 | 90 | null | 3,300.1 | 1.6 | 180.2 | null | 180.2 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C8 F29 Mo2 O8 Sb5 - | - C8 F29 Mo2 O8 Sb5 - | - C32 F116 Mo8 O32 Sb20 - | 4 | 1 | Raimund Bröchler; Daniel Freidank; Matthias Bodenbinder; Iona H. T. Sham; Helge Willner; Steven J. Rettig; James Trotter; Friedhelm Aubke | Synthesis and Structure of [{Mo(CO)4}2(cis-μ-F2SbF4)3]x[Sb2F11]x: An Ionic Coordination Polymer | Inorganic Chemistry | 1,999 | 38 | 3684 | 3687 | 10.1021/ic981439j | 0.7107 | MoKα | 0.0935 | 0.048 | null | 0.0971 | null | 0.0971 | null | null | 1.741 | null | null | 1.741 | null | null | has coordinates | Raimund Bröchler; Daniel Freidank; Matthias Bodenbinder; Iona H. T. Sham; Helge Willner; Steven J. Rettig; James Trotter; Friedhelm Aubke
Synthesis and Structure of [{Mo(CO)4}2(cis-μ-F2SbF4)3]x[Sb2F11]x: An Ionic Coordination Polymer
Inorganic Chemistry
38
(1999)
3684-3687 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,368 | 11.378 | 0.002 | 7.124 | 0.001 | 11.585 | 0.002 | 90 | null | 101.7 | 0.8 | 90 | null | 920 | 3 | 293 | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C20 H25 Co N2 O3 - | - C20 H25 Co N2 O3 - | - C40 H50 Co2 N4 O6 - | 2 | 1 | HU1052 | Chen, H.; Han, D.; Yan, H.; Tang, W.; Yang, Y.; Yang, W. | Aqua[bis(salicylidene)ethylenediaminato](isobutyl)cobalt(III) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2204 | 2206 | 10.1107/S0108270196009134 | 0.71073 | MoKα | null | 0.053 | null | null | 0.067 | null | null | null | null | 1.24 | 1.24 | null | null | null | has coordinates | Chen, H.; Han, D.; Yan, H.; Tang, W.; Yang, Y.; Yang, W.
Aqua[bis(salicylidene)ethylenediaminato](isobutyl)cobalt(III)
Acta Crystallographica Section C
52(9)
(1996)
2204-2206 | 205,898 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $
#$Revision: 205898 $
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2,005,369 | 10.6713 | 0.0007 | 6.6936 | 0.0006 | 21.0352 | 0.0007 | 90 | null | 100.776 | 0.004 | 90 | null | 1,476.04 | 0.17 | 153 | null | 153 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Isopropylamidine hydrochloride | Isopropylamidine hydrochloride | - C4 H11 Cl N2 - | - C4 H11 Cl N2 - | - C32 H88 Cl8 N16 - | 8 | 2 | HU1140 | Barker, J.; Powell, H. R. | Isopropylamidinium Chloride | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2307 | 2309 | 10.1107/S0108270196002843 | 1.5418 | CopperKα | null | 0.0368 | null | null | 0.0443 | null | null | null | null | 4.976 | 4.976 | null | null | null | has coordinates | Barker, J.; Powell, H. R.
Isopropylamidinium Chloride
Acta Crystallographica Section C
52(9)
(1996)
2307-2309 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,370 | 6.806 | 0.001 | 8.166 | 0.001 | 15.568 | 0.002 | 100.69 | 0.01 | 94.99 | 0.02 | 103.29 | 0.01 | 819.8 | 0.2 | 293 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C16 H25 N O4 - | - C16 H25 N O4 - | - C32 H50 N2 O8 - | 2 | 1 | JZ1117 | Beck, H.; Egert, E. | A Dihydrooxazinone | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2253 | 2254 | 10.1107/S0108270196003873 | 0.71073 | MoKα | null | 0.067 | null | null | 0.057 | null | null | null | null | 1.58 | 1.58 | null | null | null | has coordinates | Beck, H.; Egert, E.
A Dihydrooxazinone
Acta Crystallographica Section C
52(9)
(1996)
2253-2254 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,371 | 13.734 | 0.002 | 8.281 | 0.001 | 6.53 | 0.001 | 90 | null | 90 | null | 90 | null | 742.67 | 0.18 | 293 | null | null | null | null | null | null | null | 3 | P m n 21 | P 2ac -2 | 31 | - C18 H24 O3 - | - C18 H24 O3 - | - C36 H48 O6 - | 2 | 0.5 | JZ1118 | Schormann, N.; Egert, E. | A Fully Cyclo-Substituted Cyclohexane | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2254 | 2256 | 10.1107/S0108270196003885 | 0.71073 | MoKα | null | 0.049 | null | null | 0.056 | null | null | null | null | 1.21 | 1.21 | null | null | null | has coordinates | Schormann, N.; Egert, E.
A Fully Cyclo-Substituted Cyclohexane
Acta Crystallographica Section C
52(9)
(1996)
2254-2256 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,372 | 13.651 | 0.001 | 23.91 | 0.003 | 27.883 | 0.002 | 90 | null | 102.44 | 0.01 | 90 | null | 8,887.2 | 1.5 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C26 H46 Co2 Mo2 O22 P6 - | - C26 H46 Co2 Mo2 O22 P6 - | - C208 H368 Co16 Mo16 O176 P48 - | 8 | 2 | JZ1119 | Herbst-Irmer, R.; Egert, E. | An Mo~2~(CO)~4~ (Mo[tripleMo) Fragment Stabilized by a Tripod Ligand | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2161 | 2164 | 10.1107/S0108270196004076 | 0.71073 | MoKα | null | 0.042 | null | null | 0.049 | null | null | null | null | 2.08 | 2.08 | null | null | null | has coordinates | Herbst-Irmer, R.; Egert, E.
An Mo~2~(CO)~4~ (Mo[tripleMo) Fragment Stabilized by a Tripod Ligand
Acta Crystallographica Section C
52(9)
(1996)
2161-2164 | 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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2,005,373 | 7.577 | 0.001 | 22.058 | 0.003 | 15.098 | 0.002 | 90 | null | 90 | null | 90 | null | 2,523.4 | 0.6 | 293 | 1 | 293 | 1 | null | null | null | null | 6 | P b c n | -P 2n 2ab | 60 | trans-dichlorotetra(pyridine)molybdenum(III) tribromide | - C20 H20 Br3 Cl2 Mo N4 - | - C20 H20 Br3 Cl2 Mo N4 - | - C80 H80 Br12 Cl8 Mo4 N16 - | 4 | 0.5 | JZ1125 | Rotar, R.; Leban, I.; Brenčič, J. V. | <i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)molybdenum(III) Tribromide | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2155 | 2157 | 10.1107/S0108270196005628 | 0.71073 | MoKα | 0.119 | 0.0525 | null | 0.1327 | 0.1052 | null | null | null | 1.024 | 1.117 | 1.117 | null | null | null | has coordinates | Rotar, R.; Leban, I.; Brenčič, J. V.
<i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)molybdenum(III) Tribromide
Acta Crystallographica Section C
52(9)
(1996)
2155-2157 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,374 | 6.283 | 0.001 | 22.113 | 0.002 | 9.691 | 0.002 | 90 | null | 91.1 | 0.01 | 90 | null | 1,346.2 | 0.4 | 294 | null | 294 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | E-2,2,5,5-Tetramethyl-3,4-di[4-(tribromomethyl)phenyl]hex-3-ene | - C24 H26 Br6 - | - C30 H44 Br6 - | - C60 H88 Br12 - | 2 | 0.5 | KA1154 | Gano, J. E.; Kirschbaum, K.; Sekher, P. | (<i>E</i>)-2,2,5,5-Tetramethyl-3,4-bis[4-(tribromomethyl)phenyl]hex-3-ene | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2334 | 2337 | 10.1107/S0108270196001576 | 0.71073 | Mo-Kα | 0.181 | 0.056 | null | null | 0.061 | null | null | null | null | 1.732 | 1.732 | null | null | null | has coordinates | Gano, J. E.; Kirschbaum, K.; Sekher, P.
(<i>E</i>)-2,2,5,5-Tetramethyl-3,4-bis[4-(tribromomethyl)phenyl]hex-3-ene
Acta Crystallographica Section C
52(9)
(1996)
2334-2337 | 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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2,005,375 | 6.419 | 0.001 | 13.34 | 0.002 | 24.701 | 0.002 | 90 | null | 90 | null | 90 | null | 2,115.1 | 0.5 | 153 | 2 | 153 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 2-(6-Methoxy-7-methyl-1,2,3,4-tetrahydro-naphthalene-1-yl)ethyl 4,7,7-trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carboxylate | - C24 H32 O5 - | - C24 H32 O5 - | - C96 H128 O20 - | 4 | 1 | KA1161 | Noltemeyer, M.; Raschke, T.; Tietze, L. F. | 2-(6-Methoxy-7-methyl-1,2,3,4-tetrahydro-1-naphthyl)ethyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2256 | 2258 | 10.1107/S0108270196004167 | 0.71073 | MoKα | 0.0356 | 0.032 | null | 0.0818 | 0.0776 | null | null | null | 1.066 | 1.066 | 1.066 | null | null | null | has coordinates | Noltemeyer, M.; Raschke, T.; Tietze, L. F.
2-(6-Methoxy-7-methyl-1,2,3,4-tetrahydro-1-naphthyl)ethyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Acta Crystallographica Section C
52(9)
(1996)
2256-2258 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$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/2/00/53/2005375.cif $
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2,005,376 | 17.172 | 0.004 | 17.172 | 0.004 | 14.965 | 0.009 | 90 | null | 90 | null | 120 | null | 3,822 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 61 | P 61 | 169 | Diester of 16α-hydroxy-prednisolone | 21-Acetoxy-16α-propionoxy-11β,17α-dihydroxypregna-1,4-diene-3,20-dione monohydrate | - C26 H36 O9 - | - C26 H36 O9 - | - C156 H216 O54 - | 6 | 1 | KA1173 | Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T. | 21-Acetoxy-16α-propionoxy-11β,17α-dihydroxypregna-1,4-diene-3,20-dione Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2288 | 2290 | 10.1107/S0108270196002533 | 1.54178 | CuKα | 0.095 | 0.058 | null | 0.1678 | 0.1477 | null | null | null | 1.005 | 1.109 | 1.109 | null | null | null | has coordinates | Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T.
21-Acetoxy-16α-propionoxy-11β,17α-dihydroxypregna-1,4-diene-3,20-dione Monohydrate
Acta Crystallographica Section C
52(9)
(1996)
2288-2290 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,377 | 6.8302 | 0.0008 | 12.164 | 0.001 | 23.846 | 0.004 | 90 | null | 90 | null | 90 | null | 1,981.2 | 0.4 | 295 | 2 | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C22 H28 O3 - | - C22 H28 O3 - | - C88 H112 O12 - | 4 | 1 | KA1177 | Steiner, Th. | 17α-Ethynyl-19-nor-3-oxo-4-androsten-17β-yl Acetate (Norethindrone Acetate) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2261 | 2263 | 10.1107/S0108270196002417 | 1.54184 | CuKα | null | 0.059 | null | null | 0.156 | null | null | null | null | 1.09 | 1.09 | null | null | null | has coordinates | Steiner, Th.
17α-Ethynyl-19-nor-3-oxo-4-androsten-17β-yl Acetate (Norethindrone Acetate)
Acta Crystallographica Section C
52(9)
(1996)
2261-2263 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,378 | 8.55 | 0.001 | 12.189 | 0.001 | 20.979 | 0.002 | 90 | null | 90 | null | 90 | null | 2,186.3 | 0.4 | 153 | 2 | 153 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | 16β-fluoro-17aβ-(4-nitroanilino)-3-methoxy-D-homoestra-1,3,5(10)-triene | - C26 H31 F N2 O3 - | - C26 H31 F N2 O3 - | - C104 H124 F4 N8 O12 - | 4 | 1 | KA1183 | Noltemeyer, M.; Tietze, L. F.; Wölfling, J.; Frank, É.; Schneider, G. | A Fluorinated <small>D</small>-Homoestrone Derivative | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2258 | 2259 | 10.1107/S0108270196003897 | 0.71073 | MoKα | 0.0591 | 0.0459 | null | 0.1065 | 0.0967 | null | null | null | 1.073 | 1.074 | 1.074 | null | null | null | has coordinates | Noltemeyer, M.; Tietze, L. F.; Wölfling, J.; Frank, É.; Schneider, G.
A Fluorinated <small>D</small>-Homoestrone Derivative
Acta Crystallographica Section C
52(9)
(1996)
2258-2259 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,379 | 14.868 | 0.005 | 11.953 | 0.002 | 20.403 | 0.006 | 90 | null | 90 | null | 90 | null | 3,626 | 1.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P c a 21 | P 2c -2ac | 29 | Triphenylpropargylphosphonium bromide | - C21 H18 Br P - | - C21 H18 Br P - | - C168 H144 Br8 P8 - | 8 | 2 | KA1184 | Steiner, Th. | Triphenylpropargylphosphonium Bromide | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2263 | 2266 | 10.1107/S0108270196004490 | 1.54176 | CuKα | 0.0405 | 0.0295 | null | 0.0827 | 0.068 | null | null | null | 1.045 | 1.1 | 1.1 | null | null | null | has coordinates | Steiner, Th.
Triphenylpropargylphosphonium Bromide
Acta Crystallographica Section C
52(9)
(1996)
2263-2266 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,380 | 16.233 | 0.002 | 17.313 | 0.002 | 13.3 | 0.001 | 90 | null | 90 | null | 90 | null | 3,737.9 | 0.7 | 173 | null | 173 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (4-Hydroxy-3-diethylphosphono-5-tert-butyl-phenyl)-bis-(diphenylphosphinyl)- methane | - C39 H45 O7 P3 - | - C39 H45 O7 P3 - | - C156 H180 O28 P12 - | 4 | 1 | KA1188 | Ramm, M.; Costisella, B. | Diethyl 5-Bis(diphenylphosphinoyl)methyl-2-hydroxy-3-<i>tert</i>-butylphenylphosphonate Hydrate at 173K | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2305 | 2307 | 10.1107/S0108270196003903 | 1.54178 | CuKα | null | 0.044 | null | null | 0.059 | null | null | null | null | 2.274 | 2.274 | null | null | null | has coordinates | Ramm, M.; Costisella, B.
Diethyl 5-Bis(diphenylphosphinoyl)methyl-2-hydroxy-3-<i>tert</i>-butylphenylphosphonate Hydrate at 173K
Acta Crystallographica Section C
52(9)
(1996)
2305-2307 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,381 | 4.8701 | 0.0002 | 11.046 | 0.001 | 23.877 | 0.004 | 90 | null | 90 | null | 90 | null | 1,284.5 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | Gly-His hydrochloride dihydrate | Glycyl-L-histidinium Chloride dihydrate | - C8 H17 Cl N4 O5 - | - C8 H17 Cl N4 O5 - | - C32 H68 Cl4 N16 O20 - | 4 | 1 | KA1193 | Steiner, Th. | Glycyl-<small>L</small>-histidinium Chloride Dihydrate: an Unusual Histidine Conformation | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2266 | 2269 | 10.1107/S0108270196004556 | 1.54176 | CuKα | 0.0445 | 0.0383 | null | 0.1357 | 0.0966 | null | null | null | 1.095 | 1.1 | 1.1 | null | null | null | has coordinates | Steiner, Th.
Glycyl-<small>L</small>-histidinium Chloride Dihydrate: an Unusual Histidine Conformation
Acta Crystallographica Section C
52(9)
(1996)
2266-2269 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,382 | 9.1259 | 0.0008 | 21.802 | 0.001 | 9.0555 | 0.0009 | 90 | null | 102.85 | 0.008 | 90 | null | 1,756.6 | 0.3 | 293 | 2 | null | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | - C20 H23 N O4 - | - C20 H23 N O4 - | - C80 H92 N4 O16 - | 4 | 1 | KH1085 | Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A. | Coumarin 338 | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2363 | 2365 | 10.1107/S0108270196004362 | 1.54184 | CuKα | null | 0.052 | null | null | 0.087 | null | null | null | null | 2.3 | 2.3 | null | null | null | has coordinates,has disorder | Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.
Coumarin 338
Acta Crystallographica Section C
52(9)
(1996)
2363-2365 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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4,322,175 | 8.9556 | 0.0003 | 12.7911 | 0.0004 | 14.0598 | 0.0005 | 82.671 | 0.001 | 73.14 | 0.001 | 74.113 | 0.001 | 1,480.44 | 0.09 | 296 | 2 | 296 | 2 | null | null | null | null | 8 | P -1 | -P 1 | 2 | - C29 H22 Cl3 N2 O P S2 Zn - | - C29 H22 Cl3 N2 O P S2 Zn - | - C58 H44 Cl6 N4 O2 P2 S4 Zn2 - | 2 | 1 | Paulo Pérez-Lourido; Jaime Romero; José A. García-Vázquez; Antonio Sousa; Kevin P. Maresca; Jon Zubieta | Synthesis and Characterization of Zinc and Cadmium Compounds with Arenephosphinothiol Ligands. Crystal and Molecular Structures of [Cd2{2-(Ph2PO)C6H4S}4], [Zn{2-(Ph2P)-6-(Me3Si)C6H3S}2], [Cd{2-(Ph2PO)-6-(Me3Si)C6H3S}2(CH3OH)], and [Zn{PhPO(C6H4S-2)2}(bipy)] | Inorganic Chemistry | 1,999 | 38 | 3709 | 3715 | 10.1021/ic981405b | 0.71073 | MoKα | 0.0567 | 0.0511 | null | 0.1322 | 0.1262 | null | null | null | 1.01 | null | null | null | null | null | has coordinates | Paulo Pérez-Lourido; Jaime Romero; José A. García-Vázquez; Antonio Sousa; Kevin P. Maresca; Jon Zubieta
Synthesis and Characterization of Zinc and Cadmium Compounds with Arenephosphinothiol Ligands. Crystal and Molecular Structures of [Cd2{2-(Ph2PO)C6H4S}4], [Zn{2-(Ph2P)-6-(Me3Si)C6H3S}2], [Cd{2-(Ph2PO)-6-(Me3Si)C6H3S}... | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,383 | 9.552 | 0.004 | 9.552 | 0.004 | 36.413 | 0.009 | 90 | null | 90 | null | 90 | null | 3,322 | 2 | 293 | 2 | null | null | null | null | null | null | 4 | P 41 21 2 | P 4abw 2nw | 92 | - C15 H23 N4 O6.5 - | - C15 H21 N4 O6.5 - | - C120 H168 N32 O52 - | 8 | 1 | KH1092 | Hirayama, N.; Arai, H.; Kasai, M. | Structural Studies of Mitomycins. VIII. Mitomycin D Hydrate, C~15~H~18~N~4~O~5~.1.5H~2~O | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2365 | 2367 | 10.1107/S0108270196004350 | 1.54184 | CuKα | null | 0.055 | null | null | 0.067 | null | null | null | null | 2.33 | 2.33 | null | null | null | has coordinates | Hirayama, N.; Arai, H.; Kasai, M.
Structural Studies of Mitomycins. VIII. Mitomycin D Hydrate, C~15~H~18~N~4~O~5~.1.5H~2~O
Acta Crystallographica Section C
52(9)
(1996)
2365-2367 | 203,832 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,384 | 8.707 | 0.001 | 12.106 | 0.002 | 14.704 | 0.004 | 92.03 | 0.01 | 91.55 | 0.01 | 96.86 | 0.01 | 1,537.1 | 0.5 | 293 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C18 H24 O2 - | - C18 H24 O2 - | - C72 H96 O8 - | 4 | 2 | LI1143 | Zukerman-Schpector, J.; Caracelli, I.; Silva, Jnr, F.; Brocksom, T. J. | Structures of the Diels–Alder Reaction Products of Thymoquinone and 1-Vinylcyclohexene. III. 5-Isopropyl-2-methyltricyclo[8.4.0.0^2,7^]tetradeca-4,9-diene-3,6-dione, C~18~H~24~O~2~ | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2354 | 2356 | 10.1107/S0108270196004210 | 0.71073 | MoKα | 0.2065 | 0.0609 | null | 0.1919 | 0.1273 | null | null | null | 1.026 | 1.158 | 1.158 | null | null | null | has coordinates | Zukerman-Schpector, J.; Caracelli, I.; Silva, Jnr, F.; Brocksom, T. J.
Structures of the Diels–Alder Reaction Products of Thymoquinone and 1-Vinylcyclohexene. III. 5-Isopropyl-2-methyltricyclo[8.4.0.0^2,7^]tetradeca-4,9-diene-3,6-dione, C~18~H~24~O~2~
Acta Crystallographica Section C
52(9)
(1996)
2354-2356 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,385 | 15.2841 | 0.0011 | 8.3869 | 0.0013 | 28.3216 | 0.0009 | 90 | null | 102.104 | 0.014 | 90 | null | 3,549.7 | 0.6 | 150 | 2 | 150 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | Bis[5,5-di(4'-methoxyphenyl)-3,3-dimethyl-2-tetrahydrofuranyl] ether. | - C40 H46 O7 - | - C40 H46 O7 - | - C160 H184 O28 - | 4 | 1 | LI1146 | Barnes, J. C.; Horspool, W. M.; Hynd, G.; Armesto, D.; Ramos, A. | Bis[5,5-bis(4-methoxyphenyl)-3,3-dimethyl-2-tetrahydrofuranyl] Ether | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2296 | 2298 | 10.1107/S0108270196004088 | 0.71069 | MoKα | 0.0785 | 0.0449 | null | 0.1066 | 0.0967 | null | null | null | 0.822 | 1.047 | 1.047 | null | null | null | has coordinates | Barnes, J. C.; Horspool, W. M.; Hynd, G.; Armesto, D.; Ramos, A.
Bis[5,5-bis(4-methoxyphenyl)-3,3-dimethyl-2-tetrahydrofuranyl] Ether
Acta Crystallographica Section C
52(9)
(1996)
2296-2298 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,386 | 15.89 | 0.002 | 12.264 | 0.002 | 9.147 | 0.002 | 90 | null | 93.9 | 0.02 | 90 | null | 1,778.4 | 0.5 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2(2-hydroxy-5,5-dimethylcyclohexan-1,3-dione)-5,5-dimethylcyclo- hexan-1,3-dionato caesium monohydrate | - C16 H23 Cs O6 - | - C16 H22 Cs O6 - | - C64 H88 Cs4 O24 - | 4 | 1 | LI1149 | Barnes, J. C. | Caesium 2-(2-Hydroxy-5,5-dimethyl-1,3-dioxo-2-cyclohexyl)-5,5-dimethyl-1,3-cyclohexanedionato(1‒) Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2185 | 2188 | 10.1107/S0108270196007342 | 0.71069 | MoKα | 0.0537 | 0.0505 | null | 0.1303 | 0.1284 | null | null | null | 1.071 | 1.101 | 1.101 | null | null | null | has coordinates | Barnes, J. C.
Caesium 2-(2-Hydroxy-5,5-dimethyl-1,3-dioxo-2-cyclohexyl)-5,5-dimethyl-1,3-cyclohexanedionato(1‒) Monohydrate
Acta Crystallographica Section C
52(9)
(1996)
2185-2188 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,387 | 9.092 | 0.001 | 9.849 | 0.001 | 10.428 | 0.001 | 68.9 | 0.01 | 69.39 | 0.01 | 72.67 | 0.01 | 799.62 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 6-methyl-2-(4-methylphenyl)-8-trifluoromethylimidazo[1,2-a][1,8] naphthyridine. | - C19 H14 F3 N3 - | - C19 H14 F3 N3 - | - C38 H28 F6 N6 - | 2 | 1 | MU1237 | Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R. | Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~ | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2231 | 2236 | 10.1107/S010827019600371X | 0.71073 | MoKα | 0.0628 | 0.0457 | null | 0.1446 | 0.1352 | null | null | null | 1.045 | 1.177 | 1.177 | null | null | null | has coordinates | Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.
Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~
Acta Crystallographica Section C
52(9)
(1996)
2231-2236 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,388 | 7.916 | 0.007 | 8.454 | 0.006 | 12.838 | 0.009 | 73.64 | 0.02 | 87.62 | 0.06 | 70.08 | 0.07 | 773.6 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2-(3,4-difluorophenyl)-6-methyl-8-trifluoromethylimidazo[1,2-a][1,8] naphthyridine. | - C18 H10 F5 N3 - | - C18 H10 F5 N3 - | - C36 H20 F10 N6 - | 2 | 1 | MU1237 | Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R. | Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~ | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2231 | 2236 | 10.1107/S010827019600371X | 0.71073 | MoKα | 0.1197 | 0.1027 | null | 0.3248 | 0.305 | null | null | null | 1.077 | 1.207 | 1.207 | null | null | null | has coordinates | Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.
Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~
Acta Crystallographica Section C
52(9)
(1996)
2231-2236 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,005,389 | 8.422 | 0.002 | 9.042 | 0.001 | 12.859 | 0.003 | 70.43 | 0.02 | 89.09 | 0.02 | 62.25 | 0.01 | 804.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2-(4-chlorophenyl)-6-methyl-8-trifluoromethylimidazo[1,2-a][1,8] naphthyridine. | - C18 H11 Cl F3 N3 - | - C18 H11 Cl F3 N3 - | - C36 H22 Cl2 F6 N6 - | 2 | 1 | MU1237 | Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R. | Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~ | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2231 | 2236 | 10.1107/S010827019600371X | 0.71073 | MoKα | 0.0546 | 0.0416 | null | 0.1191 | 0.1134 | null | null | null | 1.019 | 1.133 | 1.133 | null | null | null | has coordinates | Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.
Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~
Acta Crystallographica Section C
52(9)
(1996)
2231-2236 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,390 | 8.557 | 0.001 | 8.954 | 0.001 | 12.957 | 0.001 | 70.12 | 0.01 | 72.27 | 0.01 | 63.19 | 0.01 | 819.62 | 0.17 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2-(4-bromophenyl)-6-methyl-8-trifluoromethylimidazo[1,2,-a][1,8] naphthyridine. | - C18 H11 Br F3 N3 - | - C18 H11 Br F2.97 N3 - | - C36 H22 Br2 F5.94 N6 - | 2 | 1 | MU1237 | Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R. | Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~ | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2231 | 2236 | 10.1107/S010827019600371X | 0.71073 | MoKα | 0.0905 | 0.0523 | null | 0.1444 | 0.1331 | null | null | null | 0.927 | 1.138 | 1.138 | null | null | null | has coordinates | Fun, H.-K.; Sivakumar, K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.
Substituted Imidazonaphthyridine Derivatives. I. C~19~H~14~F~3~N~3~, C~18~H~10~F~5~N~3~, C~18~H~11~ClF~3~N~3~ and C~18~H~11~BrF~3~N~3~
Acta Crystallographica Section C
52(9)
(1996)
2231-2236 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,174 | 12.1237 | 0.0004 | 14.0586 | 0.0004 | 15.0938 | 0.0002 | 70.836 | 0.002 | 83.41 | 0.002 | 65.397 | 0.002 | 2,208.72 | 0.11 | 298 | 2 | 298 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C43 H48 Cd O3 P2 S2 Si2 - | - C43 H48 Cd O3 P2 S2 Si2 - | - C86 H96 Cd2 O6 P4 S4 Si4 - | 2 | 1 | Paulo Pérez-Lourido; Jaime Romero; José A. García-Vázquez; Antonio Sousa; Kevin P. Maresca; Jon Zubieta | Synthesis and Characterization of Zinc and Cadmium Compounds with Arenephosphinothiol Ligands. Crystal and Molecular Structures of [Cd2{2-(Ph2PO)C6H4S}4], [Zn{2-(Ph2P)-6-(Me3Si)C6H3S}2], [Cd{2-(Ph2PO)-6-(Me3Si)C6H3S}2(CH3OH)], and [Zn{PhPO(C6H4S-2)2}(bipy)] | Inorganic Chemistry | 1,999 | 38 | 3709 | 3715 | 10.1021/ic981405b | 0.71073 | MoKα | 0.0885 | 0.0738 | null | 0.1553 | 0.143 | null | null | null | 1.208 | null | null | null | null | null | has coordinates | Paulo Pérez-Lourido; Jaime Romero; José A. García-Vázquez; Antonio Sousa; Kevin P. Maresca; Jon Zubieta
Synthesis and Characterization of Zinc and Cadmium Compounds with Arenephosphinothiol Ligands. Crystal and Molecular Structures of [Cd2{2-(Ph2PO)C6H4S}4], [Zn{2-(Ph2P)-6-(Me3Si)C6H3S}2], [Cd{2-(Ph2PO)-6-(Me3Si)C6H3S}... | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,391 | 8.041 | 0.001 | 13.567 | 0.001 | 15.03 | 0.001 | 93.52 | 0.001 | 97.32 | 0.001 | 105.93 | 0.01 | 1,555.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 6,8-dimethyl-2-(4-methoxyphenyl)imidazo[1,2-a]1,8-naphthyridine. | - C19 H17 N3 O - | - C19 H17 N3 O - | - C76 H68 N12 O4 - | 4 | 2 | MU1239 | Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R. | Substituted Imidazonaphthyridine Derivatives. II. C~19~H~17~N~3~O and C~24~H~19~N~3~O | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2236 | 2239 | 10.1107/S0108270196003708 | 0.71073 | MoKα | 0.1116 | 0.0589 | null | 0.1807 | 0.1521 | null | null | null | 0.894 | 1.091 | 1.091 | null | null | null | has coordinates | Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.
Substituted Imidazonaphthyridine Derivatives. II. C~19~H~17~N~3~O and C~24~H~19~N~3~O
Acta Crystallographica Section C
52(9)
(1996)
2236-2239 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,392 | 8.435 | 0.001 | 7.146 | 0.001 | 31.823 | 0.003 | 90 | null | 92 | 0.01 | 90 | null | 1,917 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2-(4-methoxyphenyl)-6-methyl-8-phenylimidazo[1,2-a][1,8]naphthyridine. | - C24 H19 N3 O - | - C24 H19 N3 O - | - C96 H76 N12 O4 - | 4 | 1 | MU1239 | Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R. | Substituted Imidazonaphthyridine Derivatives. II. C~19~H~17~N~3~O and C~24~H~19~N~3~O | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2236 | 2239 | 10.1107/S0108270196003708 | 0.71073 | MoKα | 0.0957 | 0.0482 | null | 0.1433 | 0.117 | null | null | null | 0.899 | 1.063 | 1.063 | null | null | null | has coordinates | Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.
Substituted Imidazonaphthyridine Derivatives. II. C~19~H~17~N~3~O and C~24~H~19~N~3~O
Acta Crystallographica Section C
52(9)
(1996)
2236-2239 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,393 | 9.387 | 0.001 | 10.173 | 0.002 | 11.698 | 0.0001 | 110.36 | 0.01 | 91.83 | 0.01 | 103.34 | 0.01 | 1,011.3 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 1-diethylaminomethyl-6,8-dimethyl-2-(4-methylphenyl)imidazo[1,2-a][1,8] naphthyridine. | - C24 H28 N4 - | - C24 H28 N4 - | - C48 H56 N8 - | 2 | 1 | MU1241 | Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R. | Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~ | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2239 | 2243 | 10.1107/S0108270196003745 | 0.71073 | MoKα | 0.0591 | 0.0503 | null | 0.1604 | 0.1526 | null | null | null | 1.096 | 1.168 | 1.168 | null | null | null | has coordinates | Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.
Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~
Acta Crystallographica Section C
52(9)
(1996)
2239-2243 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$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/2/00/53/2005393.cif $
#-------------------------------------------------------------------... | ||||||||||
2,005,394 | 7.358 | 0.001 | 10.641 | 0.001 | 13.586 | 0.001 | 96.55 | 0.01 | 95.64 | 0.01 | 98.11 | 0.01 | 1,039.13 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1-diethylaminomethyl-6,8-dimethyl-2-(4-methoxyphenyl)imidazo[1,2-a][1,8] naphthyridine. | - C24 H28 N4 O - | - C24 H28 N4 O - | - C48 H56 N8 O2 - | 2 | 1 | MU1241 | Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R. | Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~ | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2239 | 2243 | 10.1107/S0108270196003745 | 0.71073 | MoKα | 0.0507 | 0.0383 | null | 0.105 | 0.1001 | null | null | null | 0.976 | 1.09 | 1.09 | null | null | null | has coordinates | Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.
Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~
Acta Crystallographica Section C
52(9)
(1996)
2239-2243 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$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/2/00/53/2005394.cif $
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2,005,395 | 12.134 | 0.001 | 12.833 | 0.002 | 15.25 | 0.002 | 113.98 | 0.01 | 91.33 | 0.01 | 105.68 | 0.01 | 2,064.9 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2-(4-bromophenyl)-1-diethylaminomethyl-6,8-dimethylimidazo[1,2-a][1,8] naphthyridine. | - C23 H25 Br N4 - | - C23 H25 Br N4 - | - C92 H100 Br4 N16 - | 4 | 2 | MU1241 | Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R. | Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~ | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2239 | 2243 | 10.1107/S0108270196003745 | 0.71073 | MoKα | 0.1118 | 0.058 | null | 0.1829 | 0.1468 | null | null | null | 1.029 | 1.177 | 1.177 | null | null | null | has coordinates | Sivakumar, K.; Fun, H.-K.; Chua, S.-O.; Ooi, M.-F.; Anwair, M. A. S.; Gan, E.-K.; Jackson, W. R.
Substituted Imidazonaphthyridine Derivatives. III. C~24~H~28~N~4~, C~24~H~28~N~4~O and C~23~H~25~BrN~4~
Acta Crystallographica Section C
52(9)
(1996)
2239-2243 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,396 | 4.495 | 0.004 | 19.982 | 0.012 | 7.822 | 0.004 | 90 | null | 105.47 | 0.06 | 90 | null | 677.1 | 0.8 | 150 | 1 | 150 | 1 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | ammonium phosphoglycolate | - C2 H8 N O6 P - | - C2 H8 N O6 P - | - C8 H32 N4 O24 P4 - | 4 | 1 | MU1249 | Lis, T. | Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2326 | 2332 | 10.1107/S0108270196002624 | 0.71073 | MoKα | 0.0404 | 0.0274 | null | 0.0821 | 0.0776 | null | null | null | 1.097 | 1.15 | 1.15 | null | null | null | has coordinates | Lis, T.
Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K
Acta Crystallographica Section C
52(9)
(1996)
2326-2332 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,397 | 17.732 | 0.006 | 9.626 | 0.004 | 16.628 | 0.006 | 90 | null | 93.18 | 0.03 | 90 | null | 2,833.8 | 1.8 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | triammonium bis(phosphoglycolate) | - C4 H19 N3 O12 P2 - | - C4 H19 N3 O12 P2 - | - C32 H152 N24 O96 P16 - | 8 | 1 | MU1249 | Lis, T. | Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2326 | 2332 | 10.1107/S0108270196002624 | 0.71073 | MoKα | 0.0606 | 0.0297 | null | 0.0922 | 0.0807 | null | null | null | 1.018 | 1.071 | 1.071 | null | null | null | has coordinates | Lis, T.
Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K
Acta Crystallographica Section C
52(9)
(1996)
2326-2332 | 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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2,005,398 | 13.202 | 0.005 | 8.072 | 0.003 | 13.792 | 0.005 | 90 | null | 91.12 | 0.03 | 90 | null | 1,469.5 | 0.9 | 150 | 1 | 150 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | diammonium phosphoglycolate | - C2 H11 N2 O6 P - | - C2 H11 N2 O6 P - | - C16 H88 N16 O48 P8 - | 8 | 2 | MU1249 | Lis, T. | Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2326 | 2332 | 10.1107/S0108270196002624 | 0.71073 | MoKα | 0.0433 | 0.0309 | null | 0.0879 | 0.0814 | null | null | null | 1.069 | 1.103 | 1.103 | null | null | null | has coordinates | Lis, T.
Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K
Acta Crystallographica Section C
52(9)
(1996)
2326-2332 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$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/2/00/53/2005398.cif $
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2,005,399 | 7.318 | 0.004 | 14.086 | 0.005 | 9.657 | 0.004 | 90 | null | 93.37 | 0.04 | 90 | null | 993.7 | 0.8 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | triammonium phosphoglycolate hydrate | - C2 H16 N3 O7 P - | - C2 H16 N3 O7 P - | - C8 H64 N12 O28 P4 - | 4 | 1 | MU1249 | Lis, T. | Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2326 | 2332 | 10.1107/S0108270196002624 | 0.71073 | MoKα | 0.0773 | 0.0335 | null | 0.0971 | 0.0843 | null | null | null | 1.004 | 1.1 | 1.1 | null | null | null | has coordinates | Lis, T.
Ammonium Salts of Phosphoglycolic Acid (H~3~PG): NH~4~. H~2~PG, 3NH~4~. H~2~PG. HPG, 2NH~4~. HPG and 3NH~4~.PG.H~2~O at 150K
Acta Crystallographica Section C
52(9)
(1996)
2326-2332 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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4,322,173 | 21.332 | 0.004 | 9.391 | 0.002 | 25.938 | 0.005 | 90 | null | 113.84 | 0.03 | 90 | null | 4,753 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | 15 | - C46 H50 N2 P2 S2 Si2 Zn - | - C46 H50 N2 P2 S2 Si2 Zn - | - C184 H200 N8 P8 S8 Si8 Zn4 - | 4 | 0.5 | Paulo Pérez-Lourido; Jaime Romero; José A. García-Vázquez; Antonio Sousa; Kevin P. Maresca; Jon Zubieta | Synthesis and Characterization of Zinc and Cadmium Compounds with Arenephosphinothiol Ligands. Crystal and Molecular Structures of [Cd2{2-(Ph2PO)C6H4S}4], [Zn{2-(Ph2P)-6-(Me3Si)C6H3S}2], [Cd{2-(Ph2PO)-6-(Me3Si)C6H3S}2(CH3OH)], and [Zn{PhPO(C6H4S-2)2}(bipy)] | Inorganic Chemistry | 1,999 | 38 | 3709 | 3715 | 10.1021/ic981405b | 1.54178 | CuKα | 0.0396 | 0.0377 | null | 0.0953 | 0.0949 | null | null | null | 1.029 | 1.03 | 1.03 | null | null | null | has coordinates | Paulo Pérez-Lourido; Jaime Romero; José A. García-Vázquez; Antonio Sousa; Kevin P. Maresca; Jon Zubieta
Synthesis and Characterization of Zinc and Cadmium Compounds with Arenephosphinothiol Ligands. Crystal and Molecular Structures of [Cd2{2-(Ph2PO)C6H4S}4], [Zn{2-(Ph2P)-6-(Me3Si)C6H3S}2], [Cd{2-(Ph2PO)-6-(Me3Si)C6H3S}... | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179324 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322173.cif $
#-------------------------------------------------------------------... | |||||||||||||
2,005,400 | 6.362 | 0.003 | 7.512 | 0.003 | 17.258 | 0.008 | 94.55 | 0.04 | 96.81 | 0.05 | 104.59 | 0.04 | 787.4 | 0.6 | 295 | null | 295 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | Bis(para-aminobenzoic acid)dichloro cadmium | - C14 H14 Cd Cl2 N2 O4 - | - C14 H14 Cd Cl2 N2 O4 - | - C28 H28 Cd2 Cl4 N4 O8 - | 2 | 1 | MU1252 | Le Fur, Y.; Masse, R. | Bis(<i>p</i>-aminobenzoic acid-<i>N</i>)dichlorocadmium(II) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2183 | 2185 | 10.1107/S0108270196003721 | 0.5608 | AgKα | 0.025 | 0.025 | null | 0.027 | 0.027 | null | null | null | 0.81 | 0.81 | 0.81 | null | null | null | has coordinates | Le Fur, Y.; Masse, R.
Bis(<i>p</i>-aminobenzoic acid-<i>N</i>)dichlorocadmium(II)
Acta Crystallographica Section C
52(9)
(1996)
2183-2185 | 190,528 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-15 01:53:32 +0200 (Sun, 15 Jan 2017) $
#$Revision: 190528 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005400.cif $
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2,005,401 | 10.2145 | 0.0007 | 8.9516 | 0.0006 | 12.5214 | 0.0008 | 90 | null | 96.77 | 0.006 | 90 | null | 1,136.93 | 0.13 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 1,4-Dimethyl-Pyridinium bis(6,7-dihydro-5H-1,4-dithiepin-2,3-dithiolato) Cuprate (III) | - C17 H22 Cu N S8 - | - C17 H22 Cu N S8 - | - C34 H44 Cu2 N2 S16 - | 2 | 0.5 | MU1254 | Fun, H.-K.; Sivakumar, K.; Zuo, J.-L.; You, F.; You, X.-Z. | 1,4-Dimethylpyridinium Bis(6,7-dihydro-5<i>H</i>-1,4-dithiepine-2,3-dithiolato-<i>S</i>,<i>S</i>')cuprate(III) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2153 | 2155 | 10.1107/S0108270196003757 | 0.71073 | MoKα | 0.0591 | 0.0449 | null | 0.1332 | 0.1255 | null | null | null | 0.957 | 1.044 | 1.044 | null | null | null | has coordinates | Fun, H.-K.; Sivakumar, K.; Zuo, J.-L.; You, F.; You, X.-Z.
1,4-Dimethylpyridinium Bis(6,7-dihydro-5<i>H</i>-1,4-dithiepine-2,3-dithiolato-<i>S</i>,<i>S</i>')cuprate(III)
Acta Crystallographica Section C
52(9)
(1996)
2153-2155 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005401.cif $
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2,005,402 | 14.654 | 0.001 | 14.385 | 0.001 | 15.897 | 0.001 | 90 | null | 90 | null | 90 | null | 3,351.1 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | Tris(4-chlorophenyl)phosphine. | - C18 H12 Cl3 P - | - C18 H12 Cl3 P - | - C144 H96 Cl24 P8 - | 8 | 1 | MU1256 | bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K. | Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2243 | 2245 | 10.1107/S0108270196004337 | 0.71073 | MoKα | 0.0784 | 0.0402 | null | 0.1053 | 0.0931 | null | null | null | 0.881 | 1.032 | 1.032 | null | null | null | has coordinates | bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K.
Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine
Acta Crystallographica Section C
52(9)
(1996)
2243-2245 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$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/2/00/54/2005402.cif $
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2,005,403 | 12.428 | 0.001 | 12.428 | 0.001 | 8.753 | 0.001 | 90 | null | 90 | null | 120 | null | 1,170.82 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 31 | P 31 | 144 | Tris(4-fluorophenyl)phosphine. | - C18 H12 F3 P - | - C18 H12 F3 P - | - C54 H36 F9 P3 - | 3 | 1 | MU1256 | bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K. | Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2243 | 2245 | 10.1107/S0108270196004337 | 0.71073 | MoKα | 0.0607 | 0.0359 | null | 0.0791 | 0.0723 | null | null | null | 0.907 | 1.059 | 1.059 | null | null | null | has coordinates | bin Shawkataly, O.; Singh, J.; Fun, H.-K.; Sivakumar, K.
Tris(4-chlorophenyl)phosphine and Tris(4-fluorophenyl)phosphine
Acta Crystallographica Section C
52(9)
(1996)
2243-2245 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,404 | 21.33 | 0.001 | 5.4002 | 0.0001 | 26.232 | 0.002 | 90 | null | 112.447 | 0.009 | 90 | null | 2,792.6 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C31 H32 N2 O4 S2 - | - C31 H32 N2 O4 S2 - | - C124 H128 N8 O16 S8 - | 4 | 1 | NA1212 | Feigel, M.; Strassner, Th.; Manero, J.; Weckert, E. | 4,4'-Bis(2,4,6-trimethylbenzenesulfonamido)diphenylmethane | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2303 | 2305 | 10.1107/S0108270196002016 | 1.5405 | CuKα | null | 0.051 | null | null | 0.054 | null | null | null | null | 1.66 | 1.66 | null | null | null | has coordinates | Feigel, M.; Strassner, Th.; Manero, J.; Weckert, E.
4,4'-Bis(2,4,6-trimethylbenzenesulfonamido)diphenylmethane
Acta Crystallographica Section C
52(9)
(1996)
2303-2305 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005404.cif $
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2,005,405 | 14.467 | 0.002 | 7.391 | 0.004 | 11.868 | 0.003 | 90 | null | 90 | null | 90 | null | 1,269 | 0.8 | 292 | null | 292 | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | Methacryloylcholine iodide | - C9 H18 I N O2 - | - C9 H18 I N O2 - | - C36 H72 I4 N4 O8 - | 4 | 0.5 | NA1215 | Angelova, O.; Macícek, J.; Kossev, K.; Koseva, N. | Trimethyl[2-(2-methyl-2-propenoyloxy)ethyl]ammonium Iodide (Methacryloylcholine Iodide) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2216 | 2218 | 10.1107/S0108270196002855 | 0.71073 | MoKα | 0.031 | 0.026 | null | 0.059 | 0.041 | null | null | null | 1.378 | 0.979 | 0.979 | null | null | null | has coordinates | Angelova, O.; Macícek, J.; Kossev, K.; Koseva, N.
Trimethyl[2-(2-methyl-2-propenoyloxy)ethyl]ammonium Iodide (Methacryloylcholine Iodide)
Acta Crystallographica Section C
52(9)
(1996)
2216-2218 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005405.cif $
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2,005,406 | 11.13 | 0.004 | 13.028 | 0.004 | 24.74 | 0.02 | 90 | null | 90 | null | 90 | null | 3,587 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | Methyl 2,7,7-Trimethyl-4(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolyl- 3-carboxylate | - C20 H22 N2 O5 - | - C20 H22 N2 O5 - | - C160 H176 N16 O40 - | 8 | 1 | NA1225 | Morales, A. D.; García-Granda, S.; Navarro, M. S.; Diviú, A. M.; Pérez-Barquero, R. E. | Methyl 2,7,7-Trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and 3-Acetyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2356 | 2359 | 10.1107/S0108270196004611 | 0.71073 | MoKα | 0.1638 | 0.0502 | null | 0.1492 | 0.1132 | null | null | null | 1.037 | 1.167 | 1.167 | null | null | null | has coordinates | Morales, A. D.; García-Granda, S.; Navarro, M. S.; Diviú, A. M.; Pérez-Barquero, R. E.
Methyl 2,7,7-Trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and 3-Acetyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone
Acta Crystallographica Section C
52(9)
(1996)
2356-2359 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,172 | 16.444 | 0.003 | 16.444 | 0.003 | 14.178 | 0.005 | 90 | null | 90 | null | 90 | null | 3,833.8 | 1.7 | 295 | null | 295 | null | null | null | null | null | chemical synthesis | 5 | I 4/m | -I 4 | 87 | - C9 H19 Co2 N5 O13 - | - C9 H11 Co2 N4.5 O10 - | - C72 H88 Co16 N36 O80 - | 8 | 0.5 | Donatella Armentano; Giovanni De Munno; Francesc Lloret; Miguel Julve | Novel Three-Dimensional Cage Assembly of a μ4-Carbonato-Bridged Cobalt(II) Compound [Co2(bpm)(H2O)2(CO3)(OH)]NO3.4H2O | Inorganic Chemistry | 1,999 | 38 | 3744 | 3747 | 10.1021/ic981323n | 0.71073 | MoKα | 17.48 | 9.49 | null | 19.83 | 14.78 | null | null | null | null | 1.537 | 1.537 | null | null | null | has coordinates | Donatella Armentano; Giovanni De Munno; Francesc Lloret; Miguel Julve
Novel Three-Dimensional Cage Assembly of a μ4-Carbonato-Bridged Cobalt(II) Compound [Co2(bpm)(H2O)2(CO3)(OH)]NO3.4H2O
Inorganic Chemistry
38
(1999)
3744-3747 | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179324 $
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2,005,407 | 11.046 | 0.005 | 12.7318 | 0.0008 | 12.944 | 0.005 | 90 | null | 106.68 | 0.03 | 90 | null | 1,743.8 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 3-Ethanoyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone | - C20 H23 N O2 - | - C20 H23 N O2 - | - C80 H92 N4 O8 - | 4 | 1 | NA1225 | Morales, A. D.; García-Granda, S.; Navarro, M. S.; Diviú, A. M.; Pérez-Barquero, R. E. | Methyl 2,7,7-Trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and 3-Acetyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2356 | 2359 | 10.1107/S0108270196004611 | 0.71073 | MoKα | 0.3249 | 0.0591 | null | 0.1894 | 0.1172 | null | null | null | 0.962 | 1.232 | 1.232 | null | null | null | has coordinates | Morales, A. D.; García-Granda, S.; Navarro, M. S.; Diviú, A. M.; Pérez-Barquero, R. E.
Methyl 2,7,7-Trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and 3-Acetyl-2,7,7-trimethyl-4-phenyl-1,4,5,6,7,8-hexahydro-5-quinolone
Acta Crystallographica Section C
52(9)
(1996)
2356-2359 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,408 | 17.242 | 0.004 | 15.244 | 0.003 | 11.406 | 0.005 | 90 | null | 90 | null | 90 | null | 2,997.9 | 1.6 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P b c n | -P 2n 2ab | 60 | rac.-1,10-Dimethyl-1,10-bis-(tert.-butyldimethylsilyloxy)-cyclododeca- 2,8-diyne | - C26 H48 O2 Si2 - | - C26 H48 O2 Si2 - | - C104 H192 O8 Si8 - | 4 | 0.5 | NA1231 | Boss, C.; Keese, R.; Förtsch, M. | Racemic 3,6-Dimethyl-3,6-bis(<i>tert</i>-butyldimethylsilyloxy)-1,7-cyclododecadiyne | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2370 | 2372 | 10.1107/S0108270196004891 | 0.71069 | MoKα | 0.1019 | 0.0435 | null | 0.1454 | 0.118 | null | null | null | 1.091 | 1.206 | 1.206 | null | null | null | has coordinates,has disorder | Boss, C.; Keese, R.; Förtsch, M.
Racemic 3,6-Dimethyl-3,6-bis(<i>tert</i>-butyldimethylsilyloxy)-1,7-cyclododecadiyne
Acta Crystallographica Section C
52(9)
(1996)
2370-2372 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,409 | 8.6202 | 0.0003 | 20.154 | 0.001 | 21.0425 | 0.0009 | 73.497 | 0.004 | 89.067 | 0.003 | 79.781 | 0.004 | 3,447.3 | 0.3 | 293 | null | 293 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | cis-2-sec-Butyl-4-[4-(4-{4-[2-(2,4-dichlorophenyl)- 2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethoxy]phenyl}- piperazin-1-yl)phenyl]-2,4-dihydro-1,2,4-triazol-3-one | - C35 H38 Cl2 N8 O4 - | - C39 H47 Cl2 N8 O4 - | - C156 H188 Cl8 N32 O16 - | 4 | 2 | NA1232 | Peeters, O. M.; Blaton, N. M.; De Ranter, C. J. | <i>cis</i>-2-<i>sec</i>-Butyl-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3<i>H</i>-1,2,4-triazol-3-one (Itraconazole) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2225 | 2229 | 10.1107/S0108270196004180 | 1.54184 | CuKα | 0.1151 | 0.0594 | null | 0.2 | 0.1461 | null | null | null | 1.02 | 1.026 | 1.026 | null | null | null | has coordinates | Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.
<i>cis</i>-2-<i>sec</i>-Butyl-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-1-piperazinyl]phenyl}-2,4-dihydro-3<i>H</i>-1,2,4-triazol-3-one (Itraconazole)
Acta Crystallographica Section C
52(9)
(1996)
2225-222... | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,005,410 | 7.603 | 0.001 | 11.701 | 0.002 | 14.434 | 0.002 | 90 | null | 101.17 | 0.01 | 90 | null | 1,259.8 | 0.3 | 293 | null | 293 | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | bis[bis(2-pyridyl)sulphide]palladium(II) bis(tetrafluoroborate) | - C20 H16 B2 F8 N4 Pd S2 - | - C20 H16 B2 F8 N4 Pd0.5 S2 - | - C40 H32 B4 F16 N8 Pd S4 - | 2 | 0.5 | NA1236 | Nicolò, F.; Bruno, G.; Tresoldi, G. | Bis[bis(2-pyridyl-<i>N</i>) sulfide]palladium(II) Bis(tetrafluoroborate) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2188 | 2191 | 10.1107/S010827019600604X | 0.71073 | MoKα | 0.0465 | 0.0272 | null | 0.0359 | 0.0314 | null | null | null | null | 1.48 | 1.48 | null | null | null | has coordinates,has disorder,has Fobs | Nicolò, F.; Bruno, G.; Tresoldi, G.
Bis[bis(2-pyridyl-<i>N</i>) sulfide]palladium(II) Bis(tetrafluoroborate)
Acta Crystallographica Section C
52(9)
(1996)
2188-2191 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005410.cif $
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2,005,411 | 8.366 | 0.002 | 11.066 | 0.002 | 14.562 | 0.002 | 90 | null | 90 | null | 90 | null | 1,348.1 | 0.4 | 292 | null | 292 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | Phenylglycinium hydrogen squarate monohydrate | - C12 H13 N O7 - | - C12 H13 N O7 - | - C48 H52 N4 O28 - | 4 | 1 | NA1238 | Angelova, O.; Petrova, R.; Radomirska, V.; Kolev, T. | Crystalline Complexes Involving Amino Acids. II. (<i>R</i>)-({-})-1-Phenylglycinium Hydrogen Squarate Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2218 | 2220 | 10.1107/S0108270196006452 | 0.71073 | MoKα | 0.08 | 0.045 | null | 0.081 | 0.057 | null | null | null | 1.557 | 1.112 | 1.112 | null | null | null | has coordinates | Angelova, O.; Petrova, R.; Radomirska, V.; Kolev, T.
Crystalline Complexes Involving Amino Acids. II. (<i>R</i>)-({-})-1-Phenylglycinium Hydrogen Squarate Monohydrate
Acta Crystallographica Section C
52(9)
(1996)
2218-2220 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,171 | 7.885 | 0.003 | 10.406 | 0.007 | 25.233 | 0.011 | 90 | null | 98.11 | 0.02 | 90 | null | 2,049.7 | 1.8 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C7 H19.5 Mn2 Mo N7 O9.75 - | - C7 Mn2 Mo N7 O9.75 - | - C28 Mn8 Mo4 N28 O39 - | 4 | 1 | Joulia Larionova; Olivier Kahn; Stéphane Golhen; Lahcène Ouahab; Rodolphe Clérac | Magnetic Transitions in the Cyano-Bridged Bimetallic Ferromagnet Mn2(H2O)5Mo(CN)7.4.75H2O (β Phase) | Inorganic Chemistry | 1,999 | 38 | 3621 | 3627 | 10.1021/ic981262t | 0.71073 | MoKα | 0.1201 | 0.0475 | null | 0.1555 | 0.1025 | null | null | null | 1.09 | 1.129 | 1.129 | null | null | null | has coordinates | Joulia Larionova; Olivier Kahn; Stéphane Golhen; Lahcène Ouahab; Rodolphe Clérac
Magnetic Transitions in the Cyano-Bridged Bimetallic Ferromagnet Mn2(H2O)5Mo(CN)7.4.75H2O (β Phase)
Inorganic Chemistry
38
(1999)
3621-3627 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 176467 $
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2,005,412 | 8.925 | 0.004 | 23.48 | 0.012 | 8.049 | 0.003 | 90 | null | 96.36 | 0.03 | 90 | null | 1,676.4 | 1.3 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | trans-1,4-dimethyl-7,7-diphenylbicyclo[4.1.0]hepta-2,5-dione | - C21 H20 O2 - | - C21 H20 O2 - | - C84 H80 O8 - | 4 | 1 | OA1000 | Moriwaki, H.; Kawamoto, T.; Oshima, T. | Half-Chair Conformation of <i>trans</i>-1,4-Dimethyl-7,7-diphenylbicyclo[4.1.0]hepta-2,5-dione | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2269 | 2271 | 10.1107/S0108270196003435 | 0.71073 | MoKα | null | 0.0699 | null | null | 0.0709 | null | null | null | null | 0.81 | 0.81 | null | null | null | has coordinates | Moriwaki, H.; Kawamoto, T.; Oshima, T.
Half-Chair Conformation of <i>trans</i>-1,4-Dimethyl-7,7-diphenylbicyclo[4.1.0]hepta-2,5-dione
Acta Crystallographica Section C
52(9)
(1996)
2269-2271 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,413 | 18.056 | 0.003 | 15.446 | 0.002 | 15.452 | 0.002 | 103.159 | 0.005 | 112.994 | 0.005 | 99.352 | 0.005 | 3,707.8 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 | P 1 | 1 | β-Cyclodextrin-nonanoic acid complex | cyclomaltoheptaose-nonanoic acid complex | - C98.4 H216.6 O97.1 - | - C98.4 H92 O97.08 - | - C98.4 H92 O97.08 - | 1 | 1 | PA1218 | Rontoyianni, A.; Mavridis, I. M. | β-Cyclodextrin Nonanoic Acid 1:1 Complex | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2277 | 2281 | 10.1107/S0108270196002156 | 0.71069 | MoKαNb-filtered | 0.127 | 0.0783 | null | 0.2939 | 0.2069 | null | null | null | 1.094 | 0.978 | 0.978 | null | null | null | has coordinates | Rontoyianni, A.; Mavridis, I. M.
β-Cyclodextrin Nonanoic Acid 1:1 Complex
Acta Crystallographica Section C
52(9)
(1996)
2277-2281 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,414 | 11.358 | 0.004 | 16.352 | 0.006 | 12.999 | 0.005 | 90 | null | 101.56 | 0.01 | 90 | null | 2,365.3 | 1.5 | 298 | null | 298 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Dibutyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | - C23 H30 N2 O6 - | - C23 H30 N2 O6 - | - C92 H120 N8 O24 - | 4 | 1 | PA1223 | Rowan, K. R.; Holt, E. M. | Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2207 | 2212 | 10.1107/S0108270196003551 | 0.71073 | MoKα | 0.1461 | 0.056 | null | 0.1027 | 0.0612 | null | null | null | null | 1.13 | 1.13 | null | null | null | has coordinates | Rowan, K. R.; Holt, E. M.
Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Acta Crystallographica Section C
52(9)
(19... | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,005,415 | 9.715 | 0.001 | 10.932 | 0.001 | 12.501 | 0.001 | 99.29 | 0.01 | 97.27 | 0.01 | 116.35 | 0.01 | 1,144.2 | 0.2 | 298 | null | 298 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | Di-isobutyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | - C23 H30 N2 O6 - | - C23 H30 N2 O6 - | - C46 H60 N4 O12 - | 2 | 1 | PA1223 | Rowan, K. R.; Holt, E. M. | Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2207 | 2212 | 10.1107/S0108270196003551 | 0.71073 | MoKα | 0.0776 | 0.0574 | null | 0.2092 | 0.1595 | null | null | null | 1.047 | 1.113 | 1.113 | null | null | null | has coordinates | Rowan, K. R.; Holt, E. M.
Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Acta Crystallographica Section C
52(9)
(19... | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,170 | 26.428 | 0.006 | 18.683 | 0.006 | 28.692 | 0.004 | 90 | null | 113.98 | 0.02 | 90 | null | 12,944 | 6 | 127 | 2 | 127 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C142 H84 Cl10 Mo3 N12 O12 - | - C141.404 H90 Cl7.808 Mo3 N12 O11.972 - | - C565.616 H360 Cl31.232 Mo12 N48 O47.888 - | 4 | 1 | Brent J. Hamstra; Beisong Cheng; Mary K. Ellison; W. Robert Scheidt | Molybdenum(V) on an Oxide String. Synthesis and Structure of the Novel Linear Trinuclear Complex {[MoO(TPP)][O-Mo(TPP)-O][MoO(TPP)]}ClO4 | Inorganic Chemistry | 1,999 | 38 | 3554 | 3561 | 10.1021/ic990566s | 0.71073 | MoKα | 0.171 | 0.0889 | null | 0.2524 | 0.1878 | null | null | null | 1.12 | 1.159 | 1.159 | null | null | null | has coordinates | Brent J. Hamstra; Beisong Cheng; Mary K. Ellison; W. Robert Scheidt
Molybdenum(V) on an Oxide String. Synthesis and Structure of the Novel Linear Trinuclear Complex {[MoO(TPP)][O-Mo(TPP)-O][MoO(TPP)]}ClO4
Inorganic Chemistry
38
(1999)
3554-3561 | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:22:11 +0200 (Wed, 23 Mar 2016) $
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2,005,416 | 11.142 | 0.001 | 16.803 | 0.002 | 13.384 | 0.001 | 90 | null | 109.9 | 0.01 | 90 | null | 2,356.1 | 0.4 | 298 | null | 298 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Di-tertbutyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | - C23 H30 N2 O6 - | - C23 H30 N2 O6 - | - C92 H120 N8 O24 - | 4 | 1 | PA1223 | Rowan, K. R.; Holt, E. M. | Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2207 | 2212 | 10.1107/S0108270196003551 | 0.71073 | MoKα | 0.1042 | 0.0542 | null | 0.1535 | 0.1209 | null | null | null | 1.035 | 1.123 | 1.123 | null | null | null | has coordinates | Rowan, K. R.; Holt, E. M.
Dibutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, Diisobutyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and Di-<i>tert</i>-butyl 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Acta Crystallographica Section C
52(9)
(19... | 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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2,005,417 | 6.778 | 0.001 | 10.451 | 0.001 | 11.618 | 0.001 | 91.34 | 0.01 | 98.88 | 0.01 | 97.51 | 0.01 | 805.35 | 0.16 | 298 | null | 298 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | (E)-3-[2-(4-chlorophenylsulfonyl) Ethenyl]-6-chloro-4H-1-benzopyran-4-one | - C17 H10 Cl2 O4 S - | - C17 H10 Cl2 O4 S - | - C34 H20 Cl4 O8 S2 - | 2 | 1 | PA1224 | Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M. | (<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2212 | 2215 | 10.1107/S0108270196003563 | 0.71073 | MoKα | null | 0.0308 | null | null | 0.0429 | null | null | null | null | 1.14 | 1.14 | null | null | null | has coordinates | Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M.
(<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone
Acta Crystallographica Section C
5... | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,418 | 6.761 | 0.001 | 10.719 | 0.001 | 11.744 | 0.001 | 91.2 | 0.01 | 99.1 | 0.01 | 97.71 | 0.01 | 832.02 | 0.17 | 298 | null | 298 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | (E)-3-[2-(4-Bromophenylsulfonyl) ethenyl]-6-bromo-4H-1-benzopyran-4- one | - C17 H10 Br2 O4 S - | - C17 H10 Br2 O4 S - | - C34 H20 Br4 O8 S2 - | 2 | 1 | PA1224 | Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M. | (<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2212 | 2215 | 10.1107/S0108270196003563 | 0.71073 | MoKα | null | 0.043 | null | null | 0.0484 | null | null | null | null | 1.18 | 1.18 | null | null | null | has coordinates | Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M.
(<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone
Acta Crystallographica Section C
5... | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,169 | 13.2138 | 0.0007 | 13.5959 | 0.0012 | 14.6676 | 0.0011 | 74.292 | 0.008 | 69.114 | 0.008 | 69.03 | 0.005 | 2,267.7 | 0.3 | 127 | 2 | 127 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C54.5 H42 Cl Mo N4 O6 - | - C54.5 H41.5 Cl Mo N4 O6 - | - C109 H83 Cl2 Mo2 N8 O12 - | 2 | 1 | Brent J. Hamstra; Beisong Cheng; Mary K. Ellison; W. Robert Scheidt | Molybdenum(V) on an Oxide String. Synthesis and Structure of the Novel Linear Trinuclear Complex {[MoO(TPP)][O-Mo(TPP)-O][MoO(TPP)]}ClO4 | Inorganic Chemistry | 1,999 | 38 | 3554 | 3561 | 10.1021/ic990566s | 0.71073 | MoKα | 0.0597 | 0.0488 | null | 0.1145 | 0.1087 | null | null | null | 1.08 | 1.101 | 1.101 | null | null | null | has coordinates | Brent J. Hamstra; Beisong Cheng; Mary K. Ellison; W. Robert Scheidt
Molybdenum(V) on an Oxide String. Synthesis and Structure of the Novel Linear Trinuclear Complex {[MoO(TPP)][O-Mo(TPP)-O][MoO(TPP)]}ClO4
Inorganic Chemistry
38
(1999)
3554-3561 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
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2,005,419 | 39.053 | 0.013 | 6.7 | 0.002 | 13.471 | 0.005 | 90 | null | 106.62 | 0.03 | 90 | null | 3,378 | 2 | 298 | null | 298 | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | (E)-3-[2-(4-chlorophenylsulfonyl) ethenyl]-6-methoxy-4H-1-benzopyran-4- one | - C18 H13 Cl O5 S - | - C18 H13 Cl O5 S - | - C144 H104 Cl8 O40 S8 - | 8 | 1 | PA1224 | Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M. | (<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2212 | 2215 | 10.1107/S0108270196003563 | 0.71073 | MoKα | null | 0.0687 | null | null | 0.1612 | null | null | null | null | 1.14 | 1.14 | null | null | null | has coordinates | Raju, K. V. N.; Krishnaiah, M.; Chen, Y.-S.; Rao, S. N.; Holt, E. M.
(<i>E</i>)-6-Chloro-3-[2-(4-chlorophenylsulfonyl)ethenyl]-4-chromanone, (<i>E</i>)-6-Bromo-3-[2-(4-bromophenylsulfonyl)ethenyl]-4-chromanone and (<i>E</i>)-3-[2-(4-Chlorophenylsulfonyl)ethenyl]-6-methoxy-4-chromanone
Acta Crystallographica Section C
5... | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
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2,005,420 | 27.668 | 0.007 | 5.2391 | 0.0012 | 10.4134 | 0.0015 | 90 | null | 90 | null | 90 | null | 1,509.5 | 0.6 | 293 | 2 | null | null | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | - C16 H18 O3 S - | - C16 H18 O3 S - | - C64 H72 O12 S4 - | 4 | 1 | (R~s~)-4-p-Toluenesulfinylcyclohexa-1,4-dienecarboxylic Acid Ethyl Ester | Acta Crystallographica Section C | 1,996 | 52 | 2290 | 2292 | null | null | null | null | null | null | null | null | null | null | null | null | null | 2,000,010 | null | has coordinates |
(R~s~)-4-p-Toluenesulfinylcyclohexa-1,4-dienecarboxylic Acid Ethyl Ester
Acta Crystallographica Section C
52
(1996)
2290-2292 | 287,519 | 2023-11-10 | 19:29:21 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
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2,005,421 | 14.907 | 0.007 | 10.506 | 0.004 | 12.518 | 0.003 | 90 | null | 104.07 | 0.03 | 90 | null | 1,901.7 | 1.3 | 294 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C7 H8 Br N3 S - | - C7 H8 Br N3 S - | - C56 H64 Br8 N24 S8 - | 8 | 2 | PT1014 | Seth, S.; Biswas, A.; Banerjee, A.; Chattopadhyay, S. K.; Ghosh, S. | Biological Activity of 4-(4-Bromophenyl)thiosemicarbazide | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2377 | 2379 | 10.1107/S0108270195011000 | 1.54182 | CuKα | null | 0.056 | null | null | 0.058 | null | null | null | null | 1.01 | 1.01 | null | null | null | has coordinates | Seth, S.; Biswas, A.; Banerjee, A.; Chattopadhyay, S. K.; Ghosh, S.
Biological Activity of 4-(4-Bromophenyl)thiosemicarbazide
Acta Crystallographica Section C
52(9)
(1996)
2377-2379 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,422 | 10.917 | 0.004 | 7.933 | 0.005 | 23.137 | 0.002 | 90 | null | 99.93 | 0.01 | 90 | null | 1,973.8 | 1.5 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C25 H17 Cl O3 - | - C25 H17 Cl O3 - | - C100 H68 Cl4 O12 - | 4 | 1 | PT1027 | Murugesan, R.; Selladurai, S.; Subramaniam, K.; Velmurugan, D.; Hamilton, J. R.; Chen, Y.-S.; Schapiro, P. J.; Rao, S. N. | 4-(4-Chlorophenyl)-2,6-diphenyl-(4<i>H</i>)-pyran-3,5-dicarbaldehyde | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2318 | 2320 | 10.1107/S0108270196003204 | 1.54184 | CuKα | null | 0.064 | null | null | 0.065 | null | null | null | null | 1.265 | 1.265 | null | null | null | has coordinates | Murugesan, R.; Selladurai, S.; Subramaniam, K.; Velmurugan, D.; Hamilton, J. R.; Chen, Y.-S.; Schapiro, P. J.; Rao, S. N.
4-(4-Chlorophenyl)-2,6-diphenyl-(4<i>H</i>)-pyran-3,5-dicarbaldehyde
Acta Crystallographica Section C
52(9)
(1996)
2318-2320 | 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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2,005,423 | 9.553 | 0.009 | 19.2 | 0.03 | 18.607 | 0.018 | 90 | null | 101.76 | 0.07 | 90 | null | 3,341 | 7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C21 H18 N2 O2 - | - C21 H18 N2 O2 - | - C168 H144 N16 O16 - | 8 | 4 | SK1003 | Alcock, N. W.; Clase, H. J.; Willey, G. R.; Daly, L. T. | Packing of Four Independent Molecules: 1-Methyl-<i>N</i>,<i>N</i>'-bis(salicylidene)-2,4-phenylenediamine | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2340 | 2343 | 10.1107/S0108270196002272 | 0.71073 | MoKα | 0.2251 | 0.1058 | null | 0.4 | 0.2846 | null | null | null | 0.998 | 1.362 | 1.362 | null | null | null | has coordinates,has Fobs | Alcock, N. W.; Clase, H. J.; Willey, G. R.; Daly, L. T.
Packing of Four Independent Molecules: 1-Methyl-<i>N</i>,<i>N</i>'-bis(salicylidene)-2,4-phenylenediamine
Acta Crystallographica Section C
52(9)
(1996)
2340-2343 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005423.cif $
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2,005,424 | 7.671 | 0.001 | 20.414 | 0.002 | 8.326 | 0.002 | 90 | null | 112.39 | 0.02 | 90 | null | 1,205.5 | 0.4 | 295 | null | null | null | null | null | null | null | 3 | P 1 21/a 1 | -P 2yab | 14 | - C10 H14 N6 - | - C10 H14 N6 - | - C40 H56 N24 - | 4 | 1 | SK1005 | Küçükbay, H.; Çetinkaya, E.; Ülkü, D.; Tahir, M. N. | (1<i>E</i>,3<i>Z</i>,5<i>E</i>)-2,5-Diaza-1,6-bis(dimethylamino)-1,3,5-hexatriene-3,4-dicarbonitrile | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2271 | 2272 | 10.1107/S0108270196004453 | 0.71073 | MoKα | null | 0.045 | null | null | 0.043 | null | null | null | null | 0.76 | 0.76 | null | null | null | has coordinates | Küçükbay, H.; Çetinkaya, E.; Ülkü, D.; Tahir, M. N.
(1<i>E</i>,3<i>Z</i>,5<i>E</i>)-2,5-Diaza-1,6-bis(dimethylamino)-1,3,5-hexatriene-3,4-dicarbonitrile
Acta Crystallographica Section C
52(9)
(1996)
2271-2272 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$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/2/00/54/2005424.cif $
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2,005,425 | 7.7989 | 0.0004 | 8.066 | 0.0011 | 7.8631 | 0.001 | 90 | null | 116.336 | 0.013 | 90 | null | 443.3 | 0.1 | 180 | 2 | 180 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | diisopropylammonium bromide | diisopropylammonium bromide | - C6 H16 Br N - | - C6 H16 Br N - | - C12 H32 Br2 N2 - | 2 | 1 | SK1006 | Kociok-Köhn, G.; Lungwitz, B.; Filippou, A. C. | Diisopropylammonium Bromide | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2309 | 2311 | 10.1107/S010827019600354X | 0.71073 | MoKα | 0.0337 | 0.022 | null | 0.0468 | 0.0436 | null | null | null | 1.02 | 1.046 | 1.046 | null | null | null | has coordinates | Kociok-Köhn, G.; Lungwitz, B.; Filippou, A. C.
Diisopropylammonium Bromide
Acta Crystallographica Section C
52(9)
(1996)
2309-2311 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,426 | 16.757 | 0.002 | 11.099 | 0.002 | 20.165 | 0.002 | 90 | null | 110.73 | 0.01 | 90 | null | 3,507.6 | 0.9 | 211 | 2 | 211 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 5-(1,3,5-Tri-tert.-butyl-4-hydroxybenzyl)-1,3,5,tri-tert.-butyl-2-oxo- bicyclo[4.1.0]hept-3-en | - C38 H62 O2 - | - C38 H62 O2 - | - C152 H248 O8 - | 4 | 1 | SK1019 | Rieker, A.; Neumayer, M.; Hiller, W. | 1,3,5-Tri-<i>tert</i>-butyl-5-(1,3,5-tri-<i>tert</i>-butyl-4-oxo-2,5-cyclohexadienyl)methylbicyclo[4.1.0]hept-3-en-2-one, a Highly Hindered Propane | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2351 | 2353 | 10.1107/S0108270196004465 | 0.71073 | MoKα | 0.0923 | 0.0451 | null | 0.1137 | 0.094 | null | null | null | 1.011 | 1.059 | 1.059 | null | null | null | has coordinates | Rieker, A.; Neumayer, M.; Hiller, W.
1,3,5-Tri-<i>tert</i>-butyl-5-(1,3,5-tri-<i>tert</i>-butyl-4-oxo-2,5-cyclohexadienyl)methylbicyclo[4.1.0]hept-3-en-2-one, a Highly Hindered Propane
Acta Crystallographica Section C
52(9)
(1996)
2351-2353 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,168 | 11.437 | 0.002 | 13.537 | 0.006 | 13.764 | 0.004 | 89.15 | 0.01 | 108.86 | 0.01 | 103.96 | 0.02 | 1,952.4 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C44.9 H29.8 Cl2.8 Mo N4 O5 - | - C44.9 H28 Cl2.8 Mo N4 O5 - | - C89.8 H56 Cl5.6 Mo2 N8 O10 - | 2 | 1 | Brent J. Hamstra; Beisong Cheng; Mary K. Ellison; W. Robert Scheidt | Molybdenum(V) on an Oxide String. Synthesis and Structure of the Novel Linear Trinuclear Complex {[MoO(TPP)][O-Mo(TPP)-O][MoO(TPP)]}ClO4 | Inorganic Chemistry | 1,999 | 38 | 3554 | 3561 | 10.1021/ic990566s | 0.71073 | MoKα | 0.0496 | 0.0426 | null | 0.1124 | 0.1082 | null | null | null | 1.079 | 1.101 | 1.101 | null | null | null | has coordinates | Brent J. Hamstra; Beisong Cheng; Mary K. Ellison; W. Robert Scheidt
Molybdenum(V) on an Oxide String. Synthesis and Structure of the Novel Linear Trinuclear Complex {[MoO(TPP)][O-Mo(TPP)-O][MoO(TPP)]}ClO4
Inorganic Chemistry
38
(1999)
3554-3561 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322168.cif $
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2,005,427 | 11.4291 | 0.0008 | 13.6877 | 0.0009 | 15.488 | 0.001 | 89.588 | 0.002 | 84.336 | 0.002 | 68.014 | 0.002 | 2,234.6 | 0.3 | 294 | 1 | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C32 H60 I22 N8 O4 Sb6 - | - C32 I22 N8 O4 Sb6 - | - C32 I22 N8 O4 Sb6 - | 1 | 0.5 | SZ1036 | Smyth, M. V.; Bailey, R. D.; Pennington, W. T. | Tetrakis(2,3,5,6-tetramethylpyrazinium) Tetra-μ~3~-iodo-hexa-μ-iodo-dodecaiodohexaantimonate(4‒) Tetrahydrate | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2170 | 2173 | 10.1107/S0108270196006038 | 0.71073 | MoKα | null | 0.0633 | null | null | 0.0809 | null | null | null | null | 2.54 | 2.54 | null | null | null | has coordinates | Smyth, M. V.; Bailey, R. D.; Pennington, W. T.
Tetrakis(2,3,5,6-tetramethylpyrazinium) Tetra-μ~3~-iodo-hexa-μ-iodo-dodecaiodohexaantimonate(4‒) Tetrahydrate
Acta Crystallographica Section C
52(9)
(1996)
2170-2173 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005427.cif $
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2,005,428 | 9.897 | 0.002 | 13.746 | 0.002 | 10.436 | 0.002 | 90 | null | 99.81 | 0.02 | 90 | null | 1,399 | 0.4 | 294 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C20 H48 Fe N6 P4 - | - C20 H48 Fe N6 P4 - | - C40 H96 Fe2 N12 P8 - | 2 | 0.5 | TA1025 | Field, L. D.; George, A. V.; Pike, S. R.; Buys, I. E.; Hambley, T. W. | <i>trans</i>-Diazidobis[1,2-bis(diethylphosphino)ethane-<i>P</i>,<i>P</i>']iron(II) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2164 | 2166 | 10.1107/S0108270195008882 | 0.7109 | MoKα | null | 0.05 | null | null | 0.058 | null | null | null | null | 2.26 | 2.26 | null | null | null | has coordinates,has disorder | Field, L. D.; George, A. V.; Pike, S. R.; Buys, I. E.; Hambley, T. W.
<i>trans</i>-Diazidobis[1,2-bis(diethylphosphino)ethane-<i>P</i>,<i>P</i>']iron(II)
Acta Crystallographica Section C
52(9)
(1996)
2164-2166 | 199,470 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-08-02 18:13:29 +0300 (Wed, 02 Aug 2017) $
#$Revision: 199470 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005428.cif $
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2,005,429 | 7.238 | 0.002 | 8.881 | 0.002 | 6.14 | 0.001 | 99.81 | 0.02 | 112.84 | 0.02 | 99.81 | 0.02 | 346.05 | 0.16 | 293.2 | null | 293 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C10 H6 Co N6 Na O8 - | - C10 H6 Co N6 Na O8 - | - C10 H6 Co N6 Na O8 - | 1 | 0.5 | TA1045 | Sharma, R. P.; Bhasin, K. K.; Tiekink, E. R. T. | Sodium Dinitritobis(pyrazine-2-carboxylato-<i>N</i>,<i>O</i>)cobaltate(III) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2140 | 2141 | 10.1107/S0108270195009322 | 0.7107 | MoKα | 0.0339 | 0.0339 | null | 0.0263 | 0.0283 | null | null | null | 1.791 | 1.791 | 1.791 | null | null | null | has coordinates | Sharma, R. P.; Bhasin, K. K.; Tiekink, E. R. T.
Sodium Dinitritobis(pyrazine-2-carboxylato-<i>N</i>,<i>O</i>)cobaltate(III)
Acta Crystallographica Section C
52(9)
(1996)
2140-2141 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$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/2/00/54/2005429.cif $
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2,005,430 | 10.941 | 0.003 | 17.658 | 0.005 | 13.516 | 0.002 | 90 | null | 110.4 | 0.02 | 90 | null | 2,447.5 | 1.1 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C25 H21 Cl3 N2 Sn - | - C25 H21 Cl3 N2 Sn - | - C100 H84 Cl12 N8 Sn4 - | 4 | 1 | TA1046 | Hall, V. J.; Tiekink, E. R. T. | Benzyltrichloro(1,10-phenanthroline-<i>N</i>,<i>N</i>')tin(IV) Benzene Solvate (1/1) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2141 | 2143 | 10.1107/S0108270195009334 | 0.7107 | MoKα | 0.0849 | 0.04 | null | 0.0371 | 0.034 | null | null | null | 1.556 | 1.753 | 1.753 | null | null | null | has coordinates | Hall, V. J.; Tiekink, E. R. T.
Benzyltrichloro(1,10-phenanthroline-<i>N</i>,<i>N</i>')tin(IV) Benzene Solvate (1/1)
Acta Crystallographica Section C
52(9)
(1996)
2141-2143 | 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/2/00/54/2005430.cif $
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2,005,431 | 7.765 | 0.005 | 13.805 | 0.002 | 10.292 | 0.003 | 90 | null | 105.1 | 0.03 | 90 | null | 1,065.2 | 0.8 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C12 H30 Cl4 N2 Sn - | - C12 H30 Cl4 N2 Sn - | - C24 H60 Cl8 N4 Sn2 - | 2 | 0.5 | TA1047 | Hall, V. J.; Tiekink, E. R. T. | Bis(diethylammonium) Tetrachlorodivinylstannate(IV) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2143 | 2145 | 10.1107/S0108270195009346 | 0.7107 | MoKalpha | 0.153 | 0.0465 | null | 0.043 | 0.0362 | null | null | null | 1.46 | 1.839 | 1.839 | null | null | null | has coordinates | Hall, V. J.; Tiekink, E. R. T.
Bis(diethylammonium) Tetrachlorodivinylstannate(IV)
Acta Crystallographica Section C
52(9)
(1996)
2143-2145 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005431.cif $
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2,005,432 | 10.114 | 0.003 | 11.289 | 0.004 | 21.103 | 0.009 | 90 | null | 90 | null | 90 | null | 2,409.5 | 1.5 | 293 | 1 | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C25 H38 O8 - | - C25 H38 O8 - | - C100 H152 O32 - | 4 | 1 | TA1076 | Chen, H.; Tan, R.; Liu, Z.; Liu, J.; Chen, M. | Lupulin D | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2229 | 2231 | 10.1107/S0108270196004829 | 0.71073 | MoKα | null | 0.039 | null | null | 0.037 | null | null | null | null | 0.841 | 0.841 | null | null | null | has coordinates | Chen, H.; Tan, R.; Liu, Z.; Liu, J.; Chen, M.
Lupulin D
Acta Crystallographica Section C
52(9)
(1996)
2229-2231 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,433 | 5.224 | 0.001 | 5.096 | 0.001 | 31.006 | 0.006 | 90 | null | 94.53 | 0.03 | 90 | null | 822.8 | 0.3 | 296 | 0.1 | 296 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | N,N'-hexamethylenebis(3-pyridinecarboxamide) | - C18 H22 N4 O2 - | - C18 H22 N4 O2 - | - C36 H44 N8 O4 - | 2 | 0.5 | TA1081 | Liu, Q.; Zhang, S.-W.; Wei, Y. G.; Shao, M.-C. | Anticancer and Antifertility Agents. II. <i>N</i>,<i>N</i>'-Hexamethylenebis(3-pyridinecarboxamide) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2260 | 2261 | 10.1107/S0108270196005045 | 0.71073 | MoKα | 0.0691 | 0.0411 | null | 0.0874 | 0.0639 | null | null | null | null | 1.62 | 1.62 | null | null | null | has coordinates | Liu, Q.; Zhang, S.-W.; Wei, Y. G.; Shao, M.-C.
Anticancer and Antifertility Agents. II. <i>N</i>,<i>N</i>'-Hexamethylenebis(3-pyridinecarboxamide)
Acta Crystallographica Section C
52(9)
(1996)
2260-2261 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$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/2/00/54/2005433.cif $
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4,322,167 | 9.489 | 0.0004 | 19.332 | 0.0008 | 13.1053 | 0.0006 | 90 | null | 91.253 | 0.001 | 90 | null | 2,403.48 | 0.18 | 296.2 | null | 296.2 | null | null | null | null | null | hydro(solvato)thermal synthesis | 7 | P 1 21/n 1 | -P 2yn | 14 | - C20 H22 Cu F5 N6 O3 Ta - | - C20 H22 Cu F5 N6 O3 Ta - | - C80 H88 Cu4 F20 N24 O12 Ta4 - | 4 | 1 | Alexander J. Norquist; Charlotte L. Stern; Kenneth R. Poeppelmeier | Cu(C10H9N3)2MOF5.2H2O (M = Nb, Ta): Aligned [MOF5]2- Oxide Fluoride Anions | Inorganic Chemistry | 1,999 | 38 | 3448 | 3449 | 10.1021/ic990366g | 0.7107 | MoKα | 0.0185 | 0.019 | null | 0.022 | null | 0.022 | null | null | 1.398 | null | null | 1.4 | null | null | has coordinates | Alexander J. Norquist; Charlotte L. Stern; Kenneth R. Poeppelmeier
Cu(C10H9N3)2MOF5.2H2O (M = Nb, Ta): Aligned [MOF5]2- Oxide Fluoride Anions
Inorganic Chemistry
38
(1999)
3448-3449 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
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2,005,434 | 4.47 | 0.002 | 17.568 | 0.002 | 10.183 | 0.002 | 90 | null | 97.84 | 0.02 | 90 | null | 792.2 | 0.4 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C7 H8 Cl N O3 - | - C7 H8 Cl N O3 - | - C28 H32 Cl4 N4 O12 - | 4 | 1 | TA1084 | Okabe, N.; Shimosaki, A.; Miura, J. | 3-Hydroxyanthranilic Acid Hydrochloride | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2345 | 2347 | 10.1107/S0108270196003368 | 0.71069 | MoKα | null | 0.054 | null | null | 0.056 | null | null | null | null | 1.58 | 1.58 | null | null | null | has coordinates | Okabe, N.; Shimosaki, A.; Miura, J.
3-Hydroxyanthranilic Acid Hydrochloride
Acta Crystallographica Section C
52(9)
(1996)
2345-2347 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,435 | 10.599 | 0.001 | 3.775 | 0.001 | 26.517 | 0.003 | 90 | null | 95.17 | 0.01 | 90 | null | 1,056.7 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C34 H18 N2 O2 - | - C34 H18 N2 O4 - | - C68 H36 N4 O8 - | 2 | 0.5 | TA1086 | Mizuguchi, J. | 5,15-Diaza-6,16-dihydroxytetrabenzo[<i>b</i>,<i>e</i>,<i>k</i>,<i>n</i>]perylene | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2315 | 2317 | 10.1107/S0108270196004271 | 0.71073 | MoKα | null | 0.058 | null | null | 0.065 | null | null | null | null | 1.212 | 1.212 | null | null | null | has coordinates | Mizuguchi, J.
5,15-Diaza-6,16-dihydroxytetrabenzo[<i>b</i>,<i>e</i>,<i>k</i>,<i>n</i>]perylene
Acta Crystallographica Section C
52(9)
(1996)
2315-2317 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005435.cif $
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2,005,436 | 7.085 | 0.001 | 9.836 | 0.001 | 10.704 | 0.001 | 102.95 | 0.01 | 95.58 | 0.01 | 98.54 | 0.01 | 712.29 | 0.15 | 293 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C16 H18 O4 - | - C16 H18 O4 - | - C32 H36 O8 - | 2 | 1 | VJ1039 | Rajnikant; Gupta, V. K.; Singh, A.; Lal, M.; Varghese, B. | Coumurrayin | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2272 | 2274 | 10.1107/S0108270196004209 | 0.71073 | MoKα | null | 0.05 | null | null | 0.144 | null | null | null | null | 0.9 | 0.9 | null | null | null | has coordinates | Rajnikant; Gupta, V. K.; Singh, A.; Lal, M.; Varghese, B.
Coumurrayin
Acta Crystallographica Section C
52(9)
(1996)
2272-2274 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,437 | 12.383 | 0.002 | 11.802 | 0.003 | 11.373 | 0.005 | 90 | null | 94.57 | 0.03 | 90 | null | 1,656.8 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Diacetatobis(pyridine)palladium(II) Hydrate | - C14 H18 N2 O5 Pd - | - C14 H18 N2 O5 Pd - | - C56 H72 N8 O20 Pd4 - | 4 | 0.5 | VS1019 | Kravtsova, S. V.; Romm, I. P.; Stash, A. I.; Belsky, V. K. | Bis(acetato-<i>O</i>)bis(pyridine-<i>N</i>)palladium(II) Monohydrate and Bis(acetato-<i>O</i>)bis(diethylamine-<i>N</i>)palladium(II) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2201 | 2204 | 10.1107/S0108270196005732 | 0.71069 | MoKα | 0.0269 | 0.0269 | null | 0.0499 | 0.0499 | null | null | null | 1.093 | 1.093 | 1.093 | null | null | null | has coordinates | Kravtsova, S. V.; Romm, I. P.; Stash, A. I.; Belsky, V. K.
Bis(acetato-<i>O</i>)bis(pyridine-<i>N</i>)palladium(II) Monohydrate and Bis(acetato-<i>O</i>)bis(diethylamine-<i>N</i>)palladium(II)
Acta Crystallographica Section C
52(9)
(1996)
2201-2204 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$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/2/00/54/2005437.cif $
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2,005,438 | 8.089 | 0.001 | 7.173 | 0.001 | 8.48 | 0.001 | 88.7 | 0.01 | 65.76 | 0.01 | 80.8 | 0.01 | 442.37 | 0.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Diacetatobis(diethylamine)palladium(II) | - C12 H28 N2 O4 Pd - | - C12 H28 N2 O4 Pd - | - C12 H28 N2 O4 Pd - | 1 | 0.5 | VS1019 | Kravtsova, S. V.; Romm, I. P.; Stash, A. I.; Belsky, V. K. | Bis(acetato-<i>O</i>)bis(pyridine-<i>N</i>)palladium(II) Monohydrate and Bis(acetato-<i>O</i>)bis(diethylamine-<i>N</i>)palladium(II) | Acta Crystallographica Section C | 1,996 | 52 | 9 | 2201 | 2204 | 10.1107/S0108270196005732 | 0.71069 | MoKα | 0.0188 | 0.0188 | null | 0.048 | 0.048 | null | null | null | 1.08 | 1.08 | 1.08 | null | null | null | has coordinates | Kravtsova, S. V.; Romm, I. P.; Stash, A. I.; Belsky, V. K.
Bis(acetato-<i>O</i>)bis(pyridine-<i>N</i>)palladium(II) Monohydrate and Bis(acetato-<i>O</i>)bis(diethylamine-<i>N</i>)palladium(II)
Acta Crystallographica Section C
52(9)
(1996)
2201-2204 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$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/2/00/54/2005438.cif $
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2,005,439 | 28.787 | 0.004 | 8.619 | 0.003 | 11.623 | 0.005 | 90 | null | 95.64 | 0.02 | 90 | null | 2,869.9 | 1.6 | 298 | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C10 H16 N Na O7 S - | - C10 H16 N Na O7 S - | - C80 H128 N8 Na8 O56 S8 - | 8 | 1 | AB1205 | Wang, J.-L.; Li, G.-P.; Zhang, L.-J.; Li, B.; Ma, S.-K.; Niu, Z.-C.; Miao, F.-M. | Sodium 1-Naphthylamine-6-sulfonate‒Water (1/4) | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2476 | 2477 | 10.1107/S0108270195004987 | 0.71073 | MoKα | null | 0.05 | null | null | 0.058 | null | null | null | null | 0.815 | 0.815 | null | null | null | has coordinates | Wang, J.-L.; Li, G.-P.; Zhang, L.-J.; Li, B.; Ma, S.-K.; Niu, Z.-C.; Miao, F.-M.
Sodium 1-Naphthylamine-6-sulfonate‒Water (1/4)
Acta Crystallographica Section C
52(10)
(1996)
2476-2477 | 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/2/00/54/2005439.cif $
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2,005,440 | 10.71 | 0.001 | 16.485 | 0.002 | 9.124 | 0.001 | 90 | null | 113.59 | 0.01 | 90 | null | 1,476.3 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C19 H13 Cl O - | - C19 H13 Cl O - | - C76 H52 Cl4 O4 - | 4 | 1 | AB1316 | Kumaran, D.; Eswaramoorthy, S.; Ponnuswamy, M. N.; Raju, K. S.; Nanjundan, S. | 3-(2-Chlorophenyl)-1-(2-naphthyl)-2-propen-1-one | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2543 | 2545 | 10.1107/S0108270195016490 | 1.5418 | CuKα | null | 0.055 | null | null | 0.076 | null | null | null | null | 1.3 | 1.3 | null | null | null | has coordinates | Kumaran, D.; Eswaramoorthy, S.; Ponnuswamy, M. N.; Raju, K. S.; Nanjundan, S.
3-(2-Chlorophenyl)-1-(2-naphthyl)-2-propen-1-one
Acta Crystallographica Section C
52(10)
(1996)
2543-2545 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,441 | 16.531 | 0.004 | 13.224 | 0.002 | 22.633 | 0.002 | 90 | null | 87.85 | 0.02 | 90 | null | 4,944.2 | 1.5 | 293 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C22 H18 Ti - | - C22 H17.6667 Ti - | - C264 H212 Ti12 - | 12 | 3 | AB1327 | Zhu, Y.; Shen, X.-M. | 2,2'-Biphenylbis(η-cyclopentadienyl)titanium | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2422 | 2425 | 10.1107/S0108270196001011 | 1.54184 | CuKα | null | 0.071 | null | null | 0.075 | null | null | null | null | 2.49 | 2.49 | null | null | null | has coordinates | Zhu, Y.; Shen, X.-M.
2,2'-Biphenylbis(η-cyclopentadienyl)titanium
Acta Crystallographica Section C
52(10)
(1996)
2422-2425 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005441.cif $
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4,322,166 | 9.472 | 0.0004 | 19.3027 | 0.0008 | 13.0634 | 0.0005 | 90 | null | 91.155 | 0.001 | 90 | null | 2,387.96 | 0.17 | 296.2 | null | 153 | 1 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C20 H22 Cu F5 N6 Nb O3 - | - C20 H22 Cu F5 N6 Nb O3 - | - C80 H88 Cu4 F20 N24 Nb4 O12 - | 4 | 1 | Alexander J. Norquist; Charlotte L. Stern; Kenneth R. Poeppelmeier | Cu(C10H9N3)2MOF5.2H2O (M = Nb, Ta): Aligned [MOF5]2- Oxide Fluoride Anions | Inorganic Chemistry | 1,999 | 38 | 3448 | 3449 | 10.1021/ic990366g | 0.7107 | MoKα | 0.0234 | 0.023 | null | 0.025 | null | 0.025 | null | null | 2.002 | null | null | 2 | null | null | has coordinates | Alexander J. Norquist; Charlotte L. Stern; Kenneth R. Poeppelmeier
Cu(C10H9N3)2MOF5.2H2O (M = Nb, Ta): Aligned [MOF5]2- Oxide Fluoride Anions
Inorganic Chemistry
38
(1999)
3448-3449 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/21/4322166.cif $
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2,005,442 | 10.589 | 0.003 | 9.396 | 0.002 | 21.132 | 0.005 | 90 | 0.02 | 93.24 | 0.02 | 90 | 0.02 | 2,099.2 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | Tris(2-hydroxyethyl)ammonium (2,6-dichlorophenyl)amino-phenylacetate (HTEA.D) | - C20 H26 Cl2 N2 O5 - | - C20 H26 Cl2 N2 O5 - | - C80 H104 Cl8 N8 O20 - | 4 | 1 | AB1345 | Castellari, C.; Ottani, S. | Diclofenac Salts. IV. Tris(2-hydroxyethyl)ammonium 2-(2,6-Dichlorophenylamino)phenylacetate | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2619 | 2622 | 10.1107/S0108270196006300 | 0.71069 | MoKα | 0.1955 | 0.0464 | null | 0.1006 | 0.0698 | null | null | null | 0.955 | 1.133 | 1.133 | null | null | null | has coordinates,has disorder,has Fobs | Castellari, C.; Ottani, S.
Diclofenac Salts. IV. Tris(2-hydroxyethyl)ammonium 2-(2,6-Dichlorophenylamino)phenylacetate
Acta Crystallographica Section C
52(10)
(1996)
2619-2622 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,005,443 | 11.559 | 0.002 | 11.559 | 0.002 | 21.783 | 0.004 | 90 | null | 90 | null | 120 | null | 2,520.5 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | R 3 2 :H | R 3 2" | 155 | Perchlorotriphenylcarbonium hexachloroantimonate(V) | - C19 Cl21 Sb - | - C19 Cl21.008 Sb - | - C57 Cl63.024 Sb3 - | 3 | 0.166667 | AB1351 | Molins, E.; Mas, M.; Maniukiewicz, W.; Ballester, M.; Castañer, J. | Perchlorotriphenylcarbenium Hexachloroantimonate(V) | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2412 | 2414 | 10.1107/S0108270196007287 | 0.71073 | MoKα | 0.049 | 0.0438 | null | 0.1379 | 0.1322 | null | null | null | 1.026 | 1.025 | 1.025 | null | null | null | has coordinates | Molins, E.; Mas, M.; Maniukiewicz, W.; Ballester, M.; Castañer, J.
Perchlorotriphenylcarbenium Hexachloroantimonate(V)
Acta Crystallographica Section C
52(10)
(1996)
2412-2414 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/54/2005443.cif $
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2,005,444 | 13.273 | 0.003 | 9.692 | 0.002 | 38.608 | 0.008 | 90 | null | 99.19 | 0.03 | 90 | null | 4,902.9 | 1.9 | 298 | 2 | 298 | 2 | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | 15 | di(ciprofloxacinium) hexaaquamagnesium(II) bis(sulfate) hexahydrate | - C34 H62 F2 Mg N6 O26 S2 - | - C34 H62 F2 Mg N6 O26 S2 - | - C136 H248 F8 Mg4 N24 O104 S8 - | 4 | 0.5 | AB1358 | Turel, I.; Leban, I.; Zupancic, M.; Bukovec, P.; Gruber, K. | An Adduct of Magnesium Sulfate with a Member of the Quinolone Family (Ciprofloxacin) | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2443 | 2445 | 10.1107/S0108270196005343 | 0.71073 | MoKα | 0.1325 | 0.06 | null | 0.1695 | 0.1172 | null | null | null | 1.048 | 1.091 | 1.091 | null | null | null | has coordinates | Turel, I.; Leban, I.; Zupancic, M.; Bukovec, P.; Gruber, K.
An Adduct of Magnesium Sulfate with a Member of the Quinolone Family (Ciprofloxacin)
Acta Crystallographica Section C
52(10)
(1996)
2443-2445 | 219,800 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2019-10-28 09:23:29 +0200 (Mon, 28 Oct 2019) $
#$Revision: 219800 $
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2,005,445 | 5.766 | 0.001 | 7.46 | 0.001 | 7.267 | 0.003 | 90 | null | 92.45 | 0.03 | 90 | null | 312.3 | 0.15 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/m 1 | -P 2yb | 11 | - C3 H9 Br S - | - C3 H9 Br S - | - C6 H18 Br2 S2 - | 2 | 0.5 | AB1364 | Svensson, P. H.; Kloo, L. | Trimethylsulfonium Bromide | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2580 | 2581 | 10.1107/S0108270196006610 | 0.71069 | MoKα | null | 0.025 | null | null | 0.026 | null | null | null | null | 1.54 | 1.54 | null | null | null | has coordinates | Svensson, P. H.; Kloo, L.
Trimethylsulfonium Bromide
Acta Crystallographica Section C
52(10)
(1996)
2580-2581 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,446 | 11.8328 | 0.0016 | 7.5583 | 0.0014 | 12.387 | 0.003 | 90 | null | 90 | null | 90 | null | 1,107.8 | 0.4 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | Compound 5 | 4-methylpyridazin-3(2H)-one | - C5 H6 N2 O - | - C5 H6 N2 O - | - C40 H48 N16 O8 - | 8 | 1 | AB1367 | Blake, A. J.; McNab, H. | Four Simple Pyridazin-3(2<i>H</i>)-ones | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2622 | 2627 | 10.1107/S0108270196005355 | 0.71073 | MoKα | 0.207 | 0.0566 | null | 0.1738 | 0.1085 | null | null | null | 0.933 | 1.075 | 1.075 | null | null | null | has coordinates | Blake, A. J.; McNab, H.
Four Simple Pyridazin-3(2<i>H</i>)-ones
Acta Crystallographica Section C
52(10)
(1996)
2622-2627 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,447 | 6.903 | 0.002 | 6.302 | 0.002 | 14.406 | 0.003 | 90 | null | 92.12 | 0.03 | 90 | null | 626.3 | 0.3 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Compound 6.H~2~O | 5-methylpyridazin-3(2H)-one monohydrate | - C5 H8 N2 O2 - | - C5 H8 N2 O2 - | - C20 H32 N8 O8 - | 4 | 1 | AB1367 | Blake, A. J.; McNab, H. | Four Simple Pyridazin-3(2<i>H</i>)-ones | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2622 | 2627 | 10.1107/S0108270196005355 | 0.71073 | MoKα | 0.0533 | 0.0412 | null | 0.1162 | 0.1054 | null | null | null | 1.061 | 1.099 | 1.099 | null | null | null | has coordinates | Blake, A. J.; McNab, H.
Four Simple Pyridazin-3(2<i>H</i>)-ones
Acta Crystallographica Section C
52(10)
(1996)
2622-2627 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,448 | 6.325 | 0.002 | 6.322 | 0.003 | 15.597 | 0.004 | 90 | null | 90 | null | 90 | null | 623.7 | 0.4 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | Compound 7.H~2~O | 6-methylpyridazin-3(2H)-one monohydrate | - C5 H8 N2 O2 - | - C5 H8 N2 O2 - | - C20 H32 N8 O8 - | 4 | 0.5 | AB1367 | Blake, A. J.; McNab, H. | Four Simple Pyridazin-3(2<i>H</i>)-ones | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2622 | 2627 | 10.1107/S0108270196005355 | 0.71073 | MoKα | 0.0825 | 0.0481 | null | 0.1529 | 0.1229 | null | null | null | 1.035 | 1.074 | 1.074 | null | null | null | has coordinates | Blake, A. J.; McNab, H.
Four Simple Pyridazin-3(2<i>H</i>)-ones
Acta Crystallographica Section C
52(10)
(1996)
2622-2627 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$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/2/00/54/2005448.cif $
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2,005,449 | 5.7 | 0.004 | 26.428 | 0.018 | 6.712 | 0.005 | 90 | null | 110.94 | 0.07 | 90 | null | 944.3 | 1.2 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | Compound 8 | 2-(p-tolyl)pyridazin-3(2H)-one | - C11 H10 N2 O - | - C11 H10 N2 O - | - C44 H40 N8 O4 - | 4 | 1 | AB1367 | Blake, A. J.; McNab, H. | Four Simple Pyridazin-3(2<i>H</i>)-ones | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2622 | 2627 | 10.1107/S0108270196005355 | 0.71073 | MoKα | 0.0949 | 0.0538 | null | 0.2555 | 0.1336 | null | null | null | 1.06 | 1.081 | 1.081 | null | null | null | has coordinates | Blake, A. J.; McNab, H.
Four Simple Pyridazin-3(2<i>H</i>)-ones
Acta Crystallographica Section C
52(10)
(1996)
2622-2627 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$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/2/00/54/2005449.cif $
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2,005,450 | 10.006 | 0.001 | 14.876 | 0.001 | 11.34 | 0.001 | 90 | null | 102.93 | 0.01 | 90 | null | 1,645.2 | 0.3 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C34 H38 Cu N4 O6 - | - C34 H38 Cu N4 O6 - | - C68 H76 Cu2 N8 O12 - | 2 | 0.5 | AB1371 | Hökelek, T.; Gündüz, H.; Necefouglu, H. | <i>trans</i>-Bis(benzoato-<i>O</i>,<i>O</i>')bis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)copper(II) | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2470 | 2473 | 10.1107/S0108270196006312 | 0.71073 | MoKα | null | 0.0427 | null | null | 0.0448 | null | null | null | null | 1.21 | 1.21 | null | null | null | has coordinates | Hökelek, T.; Gündüz, H.; Necefouglu, H.
<i>trans</i>-Bis(benzoato-<i>O</i>,<i>O</i>')bis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>^1^)copper(II)
Acta Crystallographica Section C
52(10)
(1996)
2470-2473 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$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/2/00/54/2005450.cif $
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2,005,451 | 12.96 | 0.002 | 17.444 | 0.003 | 8.068 | 0.002 | 90 | null | 90 | null | 90 | null | 1,824 | 0.6 | 173 | 1 | 173 | 1 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | (1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanocycloamphilect- 11(20)-ene | - C21 H31 N - | - C21 H31 N - | - C84 H124 N4 - | 4 | 1 | AB1372 | Linden, A.; König, G. M.; Wright, A. D. | Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i> | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2601 | 2607 | 10.1107/S010827019600515X | 0.71069 | MoKα | 0.0769 | 0.0466 | null | 0.0436 | 0.041 | null | null | null | null | 1.706 | 1.706 | null | null | null | has coordinates | Linden, A.; König, G. M.; Wright, A. D.
Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>
Acta Crystallographica Section C
52(10)
(1996)
2601-2607 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,452 | 14.319 | 0.002 | 17.591 | 0.004 | 7.145 | 0.002 | 90 | null | 90 | null | 90 | null | 1,799.7 | 0.7 | 173 | 1 | 173 | 1 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | (1S*,3S*,4R*,7S*,8S*,11R*,12R*,13S*,20S*)-7- isocyanoisocycloamphilect-14-ene | - C21 H31 N - | - C21 H31 N - | - C84 H124 N4 - | 4 | 1 | AB1372 | Linden, A.; König, G. M.; Wright, A. D. | Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i> | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2601 | 2607 | 10.1107/S010827019600515X | 0.71069 | MoKα | 0.1233 | 0.0564 | null | 0.0469 | 0.0431 | null | null | null | null | 2.091 | 2.091 | null | null | null | has coordinates | Linden, A.; König, G. M.; Wright, A. D.
Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>
Acta Crystallographica Section C
52(10)
(1996)
2601-2607 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,005,453 | 9.502 | 0.001 | 9.942 | 0.001 | 9.841 | 0.002 | 90 | null | 106.6 | 0.01 | 90 | null | 890.9 | 0.2 | 173 | 1 | 173 | 1 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | (1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanoamphilecta- 11(20),15-diene | - C21 H31 N - | - C21 H31 N - | - C42 H62 N2 - | 2 | 1 | AB1372 | Linden, A.; König, G. M.; Wright, A. D. | Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i> | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2601 | 2607 | 10.1107/S010827019600515X | 0.71069 | MoKα | 0.0505 | 0.0393 | null | 0.0383 | 0.0374 | null | null | null | null | 2.008 | 2.008 | null | null | null | has coordinates | Linden, A.; König, G. M.; Wright, A. D.
Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>
Acta Crystallographica Section C
52(10)
(1996)
2601-2607 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$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/2/00/54/2005453.cif $
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2,005,454 | 20.38 | 0.006 | 32.683 | 0.009 | 8.37 | 0.007 | 90 | null | 90 | null | 90 | null | 5,575 | 5 | 173 | 1 | 173 | 1 | null | null | null | null | 3 | P 21 21 2 | P 2 2ab | 18 | (1R*,3S*,4R*,7S*,8S*,13R*)-7-isocyanoamphilecta-11,14-diene | - C21 H31 N - | - C21 H31 N - | - C252 H372 N12 - | 12 | 3 | AB1372 | Linden, A.; König, G. M.; Wright, A. D. | Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i> | Acta Crystallographica Section C | 1,996 | 52 | 10 | 2601 | 2607 | 10.1107/S010827019600515X | 0.71069 | MoKα | 0.1569 | 0.0573 | null | 0.0538 | 0.0459 | null | null | null | null | 1.711 | 1.711 | null | null | null | has coordinates | Linden, A.; König, G. M.; Wright, A. D.
Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>
Acta Crystallographica Section C
52(10)
(1996)
2601-2607 | 301,791 | 2025-08-18 | 23:15:27 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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4,322,165 | 10.954 | 0.001 | 10.954 | 0.001 | 10.954 | 0.001 | 90 | null | 90 | null | 90 | null | 1,314.4 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | prepared from tin, red phosphorus and tin(IV) iodide | 3 | P m -3 n | -P 4n 2 3 | 223 | tin(II) phosphide iodide | tin(II) phosphide iodide | - I8 P19.29 Sn24 - | - I8 P19.294 Sn24 - | - I8 P19.294 Sn24 - | 1 | 0.020833 | Mikhail M. Shatruk; Kirill A. Kovnir; Andrei V. Shevelkov; Igor A. Presniakov; Boris A. Popovkin | First Tin Pnictide Halides Sn24P19.3I8 and Sn24As19.3I8: Synthesis and the Clathrate-I Type of the Crystal Structure | Inorganic Chemistry | 1,999 | 38 | 3455 | 3457 | 10.1021/ic990153r | 0.71069 | MoKα | 0.0263 | 0.026 | null | 0.054 | 0.054 | null | null | null | 1.266 | 1.275 | 1.275 | null | null | null | has coordinates | Mikhail M. Shatruk; Kirill A. Kovnir; Andrei V. Shevelkov; Igor A. Presniakov; Boris A. Popovkin
First Tin Pnictide Halides Sn24P19.3I8 and Sn24As19.3I8: Synthesis and the Clathrate-I Type of the Crystal Structure
Inorganic Chemistry
38
(1999)
3455-3457 | 179,324 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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