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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
4,321,751 | 9.091 | 0.0012 | 30.527 | 0.004 | 11.903 | 0.002 | 90 | null | 93.78 | 0.02 | 90 | null | 3,296.1 | 0.8 | 297 | 2 | 297 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | bis(μ-di-t-butylphosphido)-(di-t-butylphosphine)-carbonyl-di-platinum(i) | - C25 H55 O P3 Pt2 - | - C25 H55 O P3 Pt2 - | - C100 H220 O4 P12 Pt8 - | 4 | 1 | Piero Leoni; Giuseppina Chiaradonna; Marco Pasquali; Fabio Marchetti | Dinuclear Phosphido-Bridged Derivatives of Platinum(I). Synthesis and Characterization of [Pt2(μ-PBut2)2(PBut2H)(L)] [L = PBut2R (R = H, Li, n-Heptyl), CO, η2-CS2] | Inorganic Chemistry | 1,999 | 38 | 253 | 259 | 10.1021/ic9811392 | 0.71073 | MoKα | 0.0676 | 0.0378 | null | 0.0965 | 0.0826 | null | null | null | 1.053 | 1.095 | 1.095 | null | null | null | has coordinates | Piero Leoni; Giuseppina Chiaradonna; Marco Pasquali; Fabio Marchetti
Dinuclear Phosphido-Bridged Derivatives of Platinum(I). Synthesis and Characterization of [Pt2(μ-PBut2)2(PBut2H)(L)] [L = PBut2R (R = H, Li, n-Heptyl), CO, η2-CS2]
Inorganic Chemistry
38
(1999)
253-259 | 179,320 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,387 | 18.585 | 0.003 | 9.562 | 0.001 | 15.012 | 0.004 | 90 | null | 131.83 | 0.03 | 90 | null | 1,987.8 | 1.1 | 293 | null | null | null | null | null | null | null | 5 | C 1 c 1 | C -2yc | null | - C15 H7 N O9 Ru3 - | - C15 H7 N O9 Ru3 - | - C60 H28 N4 O36 Ru12 - | 4 | 1 | MU1090 | Wong, W.-T.; Wong, W.-Y. | Triruthenium Alkylidyne Cluster Complexes [H~2~Ru~3~(CO)~9~(μ~3~-C<i>X</i>)] (<i>X</i> = Pyridine, 4-Ethylpyridine) | Acta Crystallographica Section C | 1,995 | 51 | 1 | 57 | 60 | 10.1107/S010827019400555X | 0.71073 | MoKα | null | 0.037 | null | null | 0.05 | null | null | null | null | 1.876 | 1.876 | null | null | null | has coordinates | Wong, W.-T.; Wong, W.-Y.
Triruthenium Alkylidyne Cluster Complexes [H~2~Ru~3~(CO)~9~(μ~3~-C<i>X</i>)] (<i>X</i> = Pyridine, 4-Ethylpyridine)
Acta Crystallographica Section C
51(1)
(1995)
57-60 | 190,560 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-16 18:09:40 +0200 (Mon, 16 Jan 2017) $
#$Revision: 190560 $
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2,010,388 | 10.971 | 0.002 | 11.034 | 0.002 | 18.1 | 0.005 | 90 | null | 90 | null | 90 | null | 2,191.1 | 0.8 | 293 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | null | - C17 H11 N O9 Ru3 - | - C17 H11 N O9 Ru3 - | - C68 H44 N4 O36 Ru12 - | 4 | 1 | MU1090 | Wong, W.-T.; Wong, W.-Y. | Triruthenium Alkylidyne Cluster Complexes [H~2~Ru~3~(CO)~9~(μ~3~-C<i>X</i>)] (<i>X</i> = Pyridine, 4-Ethylpyridine) | Acta Crystallographica Section C | 1,995 | 51 | 1 | 57 | 60 | 10.1107/S010827019400555X | 0.71073 | MoKα | null | 0.028 | null | null | 0.04 | null | null | null | null | 1.394 | 1.394 | null | null | null | has coordinates | Wong, W.-T.; Wong, W.-Y.
Triruthenium Alkylidyne Cluster Complexes [H~2~Ru~3~(CO)~9~(μ~3~-C<i>X</i>)] (<i>X</i> = Pyridine, 4-Ethylpyridine)
Acta Crystallographica Section C
51(1)
(1995)
57-60 | 190,560 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-16 18:09:40 +0200 (Mon, 16 Jan 2017) $
#$Revision: 190560 $
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2,010,389 | 11.979 | 0.002 | 12.773 | 0.002 | 37.264 | 0.006 | 90 | null | 90 | null | 90 | null | 5,701.7 | 1.6 | 173 | null | null | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C24 H39 Cl Si3 Zr - | - C24 H39 Cl Si3 Zr - | - C192 H312 Cl8 Si24 Zr8 - | 8 | 1 | MU1105 | Lukens, Wayne | Chlorotris(trimethylsilylcyclopentadienyl)zirconium | Acta Crystallographica Section C | 1,995 | 51 | 1 | 10 | 12 | 10.1107/S0108270194007547 | 0.71073 | MoKα | null | 0.0467 | null | null | 0.0585 | null | null | null | null | 1.999 | 1.999 | null | null | null | has coordinates,has disorder | Lukens, Wayne
Chlorotris(trimethylsilylcyclopentadienyl)zirconium
Acta Crystallographica Section C
51(1)
(1995)
10-12 | 200,180 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-09-05 23:07:35 +0300 (Tue, 05 Sep 2017) $
#$Revision: 200180 $
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2,010,390 | 7.079 | 0.003 | 14.29 | 0.004 | 14.828 | 0.005 | 90 | null | 93.22 | 0.03 | 90 | null | 1,497.6 | 0.9 | 128 | 5 | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H11 Co N2 O4 - | - C14 H11 Co N2 O4 - | - C56 H44 Co4 N8 O16 - | 4 | 1 | MU1106 | Brammer, L.; Zhao, D. | Low-Temperature Structures of [py~2~H]^+^[Co(CO)~4~]^{-^} (py = Pyridine) and [(tmen)H]^+^[Co(CO)~4~]^{-^} (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine) | Acta Crystallographica Section C | 1,995 | 51 | 1 | 45 | 48 | 10.1107/S0108270194005858 | 0.71073 | MoKα | null | 0.0417 | null | null | 0.044 | null | null | null | null | 1.42 | 1.42 | null | null | null | has coordinates | Brammer, L.; Zhao, D.
Low-Temperature Structures of [py~2~H]^+^[Co(CO)~4~]^{-^} (py = Pyridine) and [(tmen)H]^+^[Co(CO)~4~]^{-^} (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine)
Acta Crystallographica Section C
51(1)
(1995)
45-48 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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4,321,750 | 16.415 | 0.0003 | 18.5686 | 0.0004 | 19.8964 | 0.0004 | 90 | null | 100.259 | 0.001 | 90 | null | 5,967.5 | 0.2 | 183 | 2 | 183 | 2 | null | null | null | null | 8 | P 1 21/c 1 | -P 2ybc | 14 | - C32 H88 Cl2 Mo2 N12 O0.5 Si6 Zr - | - C32 H80.588 Cl2 Mo2 N12 O0.5 Si6 Zr - | - C128 H322.352 Cl8 Mo8 N48 O2 Si24 Zr4 - | 4 | 1 | Myra B. O'Donoghue; William M. Davis; Richard R. Schrock; William M. Reiff | Heterobimetallic Dinitrogen Complexes That Contain the {[N3N]Mo-NN}- Ligand | Inorganic Chemistry | 1,999 | 38 | 243 | 252 | 10.1021/ic9811188 | 0.71073 | MoKα | 0.0986 | 0.0559 | null | 0.1835 | 0.1322 | null | null | null | 1.056 | 1.028 | 1.028 | null | null | null | has coordinates,has disorder | Myra B. O'Donoghue; William M. Davis; Richard R. Schrock; William M. Reiff
Heterobimetallic Dinitrogen Complexes That Contain the {[N3N]Mo-NN}- Ligand
Inorganic Chemistry
38
(1999)
243-252 | 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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2,010,391 | 19.528 | 0.005 | 9.518 | 0.002 | 7.408 | 0.002 | 90 | null | 90 | null | 90 | null | 1,376.9 | 0.6 | 128 | 5 | null | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | - C10 H17 Co N2 O4 - | - C12 H21 Co N2 O4 - | - C48 H84 Co4 N8 O16 - | 4 | 0.5 | MU1106 | Brammer, L.; Zhao, D. | Low-Temperature Structures of [py~2~H]^+^[Co(CO)~4~]^{-^} (py = Pyridine) and [(tmen)H]^+^[Co(CO)~4~]^{-^} (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine) | Acta Crystallographica Section C | 1,995 | 51 | 1 | 45 | 48 | 10.1107/S0108270194005858 | 0.71073 | MoKα | null | 0.0452 | null | null | 0.0455 | null | null | null | null | 1.48 | 1.48 | null | null | null | has coordinates | Brammer, L.; Zhao, D.
Low-Temperature Structures of [py~2~H]^+^[Co(CO)~4~]^{-^} (py = Pyridine) and [(tmen)H]^+^[Co(CO)~4~]^{-^} (tmen = <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediamine)
Acta Crystallographica Section C
51(1)
(1995)
45-48 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,392 | 19.142 | 0.008 | 20.759 | 0.004 | 23.645 | 0.01 | 90 | null | 90 | null | 90 | null | 9,396 | 6 | 293 | null | null | null | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | - C104 H88 Au2 Cl6 Fe3 P6 - | - C104 H88 Au2 Cl6 Fe3 P6 - | - C416 H352 Au8 Cl24 Fe12 P24 - | 4 | 0.5 | MU1114 | Houlton, A.; Mingos, D.M.P.; Murphy, D.M.; Williams, D.J. | [Au~2~Cl~2~(fdpp)~3~], a Structural Intermediate in the Assembly of Gold‒Phosphine Chain Polymers | Acta Crystallographica Section C | 1,995 | 51 | 1 | 30 | 32 | 10.1107/S0108270194005962 | 0.71073 | MoKα | null | 0.0496 | null | null | 0.0438 | null | null | null | null | 1.16 | 1.16 | null | null | null | has coordinates | Houlton, A.; Mingos, D.M.P.; Murphy, D.M.; Williams, D.J.
[Au~2~Cl~2~(fdpp)~3~], a Structural Intermediate in the Assembly of Gold‒Phosphine Chain Polymers
Acta Crystallographica Section C
51(1)
(1995)
30-32 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,393 | 15.743 | 0.001 | 10.3 | 0.001 | 15.83 | 0.001 | 90 | null | 104.638 | 0.007 | 90 | null | 2,483.6 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | P 1 2/n 1 | -P 2yac | 13 | - C56 H60 Mo O P4 - | - C57.2 H52 Mo O0.8 P4 - | - C114.4 H104 Mo2 O1.6 P8 - | 2 | 0.5 | MU1119 | Pombeiro, A.J.L.; Hills, A.; Hughes, D.L.; Richards, R.L. | [MoH~4~(dppe)~2~].thf (dppe = Ph~2~PCH~2~CH~2~PPh~2~; thf = Tetrahydrofuran) | Acta Crystallographica Section C | 1,995 | 51 | 1 | 23 | 26 | 10.1107/S0108270194007559 | 0.71069 | MoKα | null | 0.032 | null | null | 0.04 | null | null | null | null | 2.13 | 2.13 | null | null | null | has coordinates | Pombeiro, A.J.L.; Hills, A.; Hughes, D.L.; Richards, R.L.
[MoH~4~(dppe)~2~].thf (dppe = Ph~2~PCH~2~CH~2~PPh~2~; thf = Tetrahydrofuran)
Acta Crystallographica Section C
51(1)
(1995)
23-26 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,394 | 8.214 | 0.001 | 10.264 | 0.001 | 13.138 | 0.003 | 96.03 | 0.01 | 87.13 | 0.01 | 110.18 | 0.01 | 1,033.8 | 0.3 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C20 H18 N10 Ni O - | - C20 H18 N10 Ni O - | - C40 H36 N20 Ni2 O2 - | 2 | 1 | NA1087 | Urtiaga, M.K.; Arriortua, M.I.; Muro, I.G.De.; Cortes, R. | Diazidobis(2,2'-bipyridine)nickel(II) Monohydrate | Acta Crystallographica Section C | 1,995 | 51 | 1 | 62 | 65 | 10.1107/S0108270194005159 | 0.71069 | MoKα | null | 0.035 | null | null | 0.038 | null | null | null | null | 1.23 | 1.23 | null | null | null | has coordinates | Urtiaga, M.K.; Arriortua, M.I.; Muro, I.G.De.; Cortes, R.
Diazidobis(2,2'-bipyridine)nickel(II) Monohydrate
Acta Crystallographica Section C
51(1)
(1995)
62-65 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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4,321,749 | 14.1611 | 0.0001 | 21.6122 | 0.0001 | 21.1463 | 0.0003 | 90 | null | 98.677 | 0.001 | 90 | null | 6,397.8 | 0.11 | 183 | 2 | 183 | 2 | null | null | null | null | 8 | P 1 21/n 1 | -P 2yn | 14 | - C39 H98.5 Cl Mo2 N12 O2.25 Si6 V - | - C39 H92 Cl Mo2 N12 O2.25 Si6 V - | - C156 H368 Cl4 Mo8 N48 O9 Si24 V4 - | 4 | 1 | Myra B. O'Donoghue; William M. Davis; Richard R. Schrock; William M. Reiff | Heterobimetallic Dinitrogen Complexes That Contain the {[N3N]Mo-NN}- Ligand | Inorganic Chemistry | 1,999 | 38 | 243 | 252 | 10.1021/ic9811188 | 0.71073 | MoKα | 0.108 | 0.066 | null | 0.1705 | 0.141 | null | null | null | 1.085 | 1.165 | 1.165 | null | null | null | has coordinates,has disorder | Myra B. O'Donoghue; William M. Davis; Richard R. Schrock; William M. Reiff
Heterobimetallic Dinitrogen Complexes That Contain the {[N3N]Mo-NN}- Ligand
Inorganic Chemistry
38
(1999)
243-252 | 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/4/32/17/4321749.cif $
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2,010,395 | 18.499 | 0.004 | 6.2149 | 0.0009 | 26.45 | 0.01 | 90 | null | 103.16 | 0.03 | 90 | null | 2,961.1 | 1.4 | 293 | null | null | null | null | null | null | null | 4 | P 1 c 1 | P -2yc | 7 | - C17 H20 N2 O2 - | - C17 H20 N2 O2 - | - C136 H160 N16 O16 - | 8 | 4 | OH1042 | Ohishi, H.; Sakamoto, Y.; Harusawa, S.; Yoneda, R.; Kurihara, T. | (13-Methyl-1,4,7,8,13,13b-hexahydro[1',2']oxazepino[2',3':1,2]pyrido[3,4-<i>b</i>]indol-1-yl)methanol and its Unusual Packing Style | Acta Crystallographica Section C | 1,995 | 51 | 1 | 135 | 139 | 10.1107/S0108270194000715 | 1.5418 | CuKα | null | 0.0615 | null | null | 0.0675 | null | null | null | null | 1.232 | 1.232 | null | null | null | has coordinates | Ohishi, H.; Sakamoto, Y.; Harusawa, S.; Yoneda, R.; Kurihara, T.
(13-Methyl-1,4,7,8,13,13b-hexahydro[1',2']oxazepino[2',3':1,2]pyrido[3,4-<i>b</i>]indol-1-yl)methanol and its Unusual Packing Style
Acta Crystallographica Section C
51(1)
(1995)
135-139 | 205,900 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-01-30 17:30:15 +0200 (Tue, 30 Jan 2018) $
#$Revision: 205900 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010395.cif $
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2,010,396 | 15.963 | 0.004 | 15.963 | 0.004 | 8.525 | 0.003 | 90 | null | 90 | null | 90 | null | 2,172.3 | 1.1 | 124 | null | null | null | null | null | null | null | 6 | P 4/n :2 | -P 4a | 85 | - C6.5 H13.75 N0.25 Na O6 Si - | - C6.5 H13.75 N0.25 Na O6 Si - | - C52 H110 N2 Na8 O48 Si8 - | 8 | 1 | OH1063 | Gainsford, G.J.; Kemmitt, T.; Milestone, N.B. | Sodium Bis[1,2-ethanediolato(2–)](hydroxyethoxo)silicate(1–) Acetonitrile Solvate, Na[Si(C~2~H~4~O~2~)~2~(C~2~H~5~O~2~)].0.25C~2~H~3~N | Acta Crystallographica Section C | 1,995 | 51 | 1 | 8 | 10 | 10.1107/S010827019400702X | 0.71073 | MoKα | null | 0.028 | null | null | 0.033 | null | null | null | null | 0.93 | 0.93 | null | null | null | has coordinates | Gainsford, G.J.; Kemmitt, T.; Milestone, N.B.
Sodium Bis[1,2-ethanediolato(2–)](hydroxyethoxo)silicate(1–) Acetonitrile Solvate, Na[Si(C~2~H~4~O~2~)~2~(C~2~H~5~O~2~)].0.25C~2~H~3~N
Acta Crystallographica Section C
51(1)
(1995)
8-10 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010396.cif $
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2,010,397 | 11.677 | 0.002 | 7.064 | 0.002 | 17.078 | 0.002 | 90 | null | 94.22 | 0.02 | 90 | null | 1,404.9 | 0.5 | 143 | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C20 H42 Ni O14 S2 - | - C20 H42 Ni O14 S2 - | - C40 H84 Ni2 O28 S4 - | 2 | 1 | OH1067 | Henderson, W.; Nicholson, B.K. | Hexaaquanickel(II) <small>D</small>-Camphor-10-sulfonate | Acta Crystallographica Section C | 1,995 | 51 | 1 | 37 | 40 | 10.1107/S0108270194006542 | 0.71073 | MoKα | null | 0.0491 | null | null | 0.0721 | null | null | null | null | 1.038 | 1.038 | null | null | null | has coordinates | Henderson, W.; Nicholson, B.K.
Hexaaquanickel(II) <small>D</small>-Camphor-10-sulfonate
Acta Crystallographica Section C
51(1)
(1995)
37-40 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,398 | 12.615 | 0.003 | 11.408 | 0.002 | 11.99 | 0.003 | 90 | null | 98.78 | 0.01 | 90 | null | 1,705.3 | 0.7 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C8 H21 Cl3 Co N5 O8 - | - C8 H21 Cl3 Co N5 O8 - | - C32 H84 Cl12 Co4 N20 O32 - | 4 | 1 | OH1069 | Giannos, M.; Fallon, G.D.; Spiccia, L. | [<i>N</i>,<i>N</i>-Bis(2-aminoethyl)-<i>N</i>'-(2-aminoethylidene)ethane-1,2-diamine]chlorocobalt(III) Perchlorate | Acta Crystallographica Section C | 1,995 | 51 | 1 | 48 | 50 | 10.1107/S0108270194006189 | 0.7107 | MoKα | null | 0.038 | null | null | 0.038 | null | null | null | null | 1.652 | 1.652 | null | null | null | has coordinates | Giannos, M.; Fallon, G.D.; Spiccia, L.
[<i>N</i>,<i>N</i>-Bis(2-aminoethyl)-<i>N</i>'-(2-aminoethylidene)ethane-1,2-diamine]chlorocobalt(III) Perchlorate
Acta Crystallographica Section C
51(1)
(1995)
48-50 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,399 | 8.67 | 0.003 | 3.902 | 0.002 | 10.463 | 0.001 | 90 | null | 95.32 | 0.02 | 90 | null | 352.4 | 0.2 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C6 H4 N2 S2 - | - C6 H4 N2 S2 - | - C12 H8 N4 S4 - | 2 | 0.5 | PA1078 | Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P. | 5,5'-Bithiazole and 2,5'-Bithiazole | Acta Crystallographica Section C | 1,995 | 51 | 1 | 76 | 77 | 10.1107/S0108270194002969 | 0.71069 | MoKα | null | 0.031 | null | null | 0.038 | null | null | null | null | 0.508 | 0.508 | null | null | null | has coordinates | Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.
5,5'-Bithiazole and 2,5'-Bithiazole
Acta Crystallographica Section C
51(1)
(1995)
76-77 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,400 | 5.77 | 0.003 | 5.923 | 0.002 | 21.056 | 0.001 | 90 | null | 90 | null | 90 | null | 719.6 | 0.4 | 293 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C6 H4 N2 S2 - | - C6 H4 N2 S2 - | - C24 H16 N8 S8 - | 4 | 1 | PA1078 | Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P. | 5,5'-Bithiazole and 2,5'-Bithiazole | Acta Crystallographica Section C | 1,995 | 51 | 1 | 76 | 77 | 10.1107/S0108270194002969 | 0.71069 | MoKα | null | 0.041 | null | null | 0.054 | null | null | null | null | 2.3 | 2.3 | null | null | null | has coordinates | Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.
5,5'-Bithiazole and 2,5'-Bithiazole
Acta Crystallographica Section C
51(1)
(1995)
76-77 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,401 | 5.673 | 0.002 | 6.172 | 0.002 | 11.507 | 0.001 | 90 | null | 61.79 | null | 90 | null | 355.05 | 0.17 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C6 H4 N2 S2 - | - C4 H2 N2 S4 - | - C8 H4 N4 S8 - | 2 | 0.5 | PA1079 | Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P. | 2,4'-Bithiazole and Bis(2,4'-bithiazole)bis(dimethyl sulfoxide)copper(II) Diperchlorate | Acta Crystallographica Section C | 1,995 | 51 | 1 | 72 | 75 | 10.1107/S0108270194002970 | 0.71069 | MoKα | null | 0.039 | null | null | 0.04 | null | null | null | null | 0.465 | 0.465 | null | null | null | has coordinates | Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.
2,4'-Bithiazole and Bis(2,4'-bithiazole)bis(dimethyl sulfoxide)copper(II) Diperchlorate
Acta Crystallographica Section C
51(1)
(1995)
72-75 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,402 | 19.249 | 0.002 | 10.073 | 0.002 | 14.701 | 0.001 | 90 | null | 97.93 | 0.02 | 90 | null | 2,823.2 | 0.7 | 293 | null | null | null | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | null | - C16 H20 Cl2 Cu N4 O10 S6 - | - C12 H16 Cl2 Cu N4 O10 S10 - | - C48 H64 Cl8 Cu4 N16 O40 S40 - | 4 | 0.5 | PA1079 | Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P. | 2,4'-Bithiazole and Bis(2,4'-bithiazole)bis(dimethyl sulfoxide)copper(II) Diperchlorate | Acta Crystallographica Section C | 1,995 | 51 | 1 | 72 | 75 | 10.1107/S0108270194002970 | 0.71069 | MoKα | null | 0.076 | null | null | 0.077 | null | null | null | null | 2.34 | 2.34 | null | null | null | has coordinates | Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.
2,4'-Bithiazole and Bis(2,4'-bithiazole)bis(dimethyl sulfoxide)copper(II) Diperchlorate
Acta Crystallographica Section C
51(1)
(1995)
72-75 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,321,748 | 12.052 | 0.002 | 18.487 | 0.004 | 21.039 | 0.005 | 68.95 | 0.02 | 86.12 | 0.02 | 78.637 | 0.013 | 4,289 | 1.7 | 173 | 2 | 173 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C63.5 H88 B3 Cl9 Mo3 N18 O7 - | - C63 H80 B3 Cl9 Mo3 N18 O7 - | - C126 H160 B6 Cl18 Mo6 N36 O14 - | 2 | 1 | Van Ân Ung; Samantha M. Couchman; John C. Jeffery; Jon A. McCleverty; Michael D. Ward; Federico Totti; Dante Gatteschi | Electrochemical and Magnetic Exchange Interactions in Trinuclear Chain Complexes Containing Oxo-Mo(V) Fragments as a Function of the Topology of the Bridging Ligand | Inorganic Chemistry | 1,999 | 38 | 365 | 369 | 10.1021/ic980934c | 0.71073 | MoKα | 0.1994 | 0.0876 | null | 0.2634 | 0.1994 | null | null | null | 1.011 | 1.188 | 1.188 | null | null | null | has coordinates,has disorder | Van Ân Ung; Samantha M. Couchman; John C. Jeffery; Jon A. McCleverty; Michael D. Ward; Federico Totti; Dante Gatteschi
Electrochemical and Magnetic Exchange Interactions in Trinuclear Chain Complexes Containing Oxo-Mo(V) Fragments as a Function of the Topology of the Bridging Ligand
Inorganic Chemistry
38
(1999)
365-36... | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,403 | 11.41 | 0.001 | 7.663 | 0.001 | 17.404 | 0.002 | 90 | null | 103.31 | 0.01 | 90 | null | 1,480.8 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C8 H8 N2 O - | - C8 H8 N2 O - | - C64 H64 N16 O8 - | 8 | 2 | PA1100 | Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P. | 2-Hydroxymethylbenzimidazole | Acta Crystallographica Section C | 1,995 | 51 | 1 | 115 | 116 | 10.1107/S0108270194006001 | 1.5418 | CuKα | null | 0.0425 | null | null | 0.057 | null | null | null | null | 0.97 | 0.97 | null | null | null | has coordinates | Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P.
2-Hydroxymethylbenzimidazole
Acta Crystallographica Section C
51(1)
(1995)
115-116 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,404 | 9.631 | 0.002 | 5.491 | 0.001 | 9.895 | 0.001 | 90 | null | 92.04 | 0.01 | 90 | null | 522.95 | 0.15 | 293 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C7 H6 O2 S5 - | - C7 H6 O2 S5 - | - C14 H12 O4 S10 - | 2 | 1 | PA1109 | Faulmann, C.; Cassoux, P.; Kotov, A.I.; Yagubskii, E.B. | 4a,6,7,8a-Tetrahydro[1,3]dithiolo[4',5':5,6][1,4]dithiino[2,3-<i>b</i>][1,4]dioxine-2-thione. A Precursor for the Preparation of New Donor Molecules and Derived Conducting Cation Radical Salts | Acta Crystallographica Section C | 1,995 | 51 | 1 | 149 | 151 | 10.1107/S0108270194007286 | 0.71069 | MoKα | null | 3.9 | null | null | 4.5 | null | null | null | null | 0.89 | 0.89 | null | null | null | has coordinates | Faulmann, C.; Cassoux, P.; Kotov, A.I.; Yagubskii, E.B.
4a,6,7,8a-Tetrahydro[1,3]dithiolo[4',5':5,6][1,4]dithiino[2,3-<i>b</i>][1,4]dioxine-2-thione. A Precursor for the Preparation of New Donor Molecules and Derived Conducting Cation Radical Salts
Acta Crystallographica Section C
51(1)
(1995)
149-151 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,405 | 16.15 | 0.006 | 16.842 | 0.009 | 19.599 | 0.007 | 69.02 | 0.05 | 80.85 | 0.04 | 70.91 | 0.06 | 4,698 | null | 293 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C54 H54 O12 - | - C54 H54 O12 - | - C216 H216 O48 - | 4 | 2 | PA1110 | Khrifi, Saad; Guelzim, Abdelhalim; Baert, Francois; Mussrabi, Mamoun; Asfari, Zouhair; Vicens, Jacques | 7,15,23-Triphenyl-25,26,27-triethylester-2,3,10,11,18,19-hexahomo-3,9,11-trioxacalix[3]arene in a Partial-Cone Conformation | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 1 | 153 | 157 | 10.1107/s0108270194008036 | 0.71063 | MoKα | null | 0.059 | null | null | 0.059 | null | null | null | null | null | null | null | 2,003,172 | null | has coordinates | Khrifi, Saad; Guelzim, Abdelhalim; Baert, Francois; Mussrabi, Mamoun; Asfari, Zouhair; Vicens, Jacques
7,15,23-Triphenyl-25,26,27-triethylester-2,3,10,11,18,19-hexahomo-3,9,11-trioxacalix[3]arene in a Partial-Cone Conformation
Acta Crystallographica, Section C: Crystal Structure Communications
51(1)
(1995)
153-157 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,406 | 7.442 | 0.001 | 22.709 | 0.002 | 9.738 | 0.001 | 90 | null | 101.22 | 0.01 | 90 | null | 1,614.3 | 0.3 | 294 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H18 O5 - | - C18 H18 O5 - | - C72 H72 O20 - | 4 | 1 | PA1113 | Wallet, J.-C.; Molins, E.; Miravitlles, C. | 1-Phenyl-3-(3,4,5-trimethoxyphenyl)-1,3-propanedione | Acta Crystallographica Section C | 1,995 | 51 | 1 | 103 | 104 | 10.1107/S0108270194007687 | 0.71073 | MoKα | null | 0.043 | null | null | 0.059 | null | null | null | null | 2.07 | 2.07 | null | null | null | has coordinates | Wallet, J.-C.; Molins, E.; Miravitlles, C.
1-Phenyl-3-(3,4,5-trimethoxyphenyl)-1,3-propanedione
Acta Crystallographica Section C
51(1)
(1995)
103-104 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,407 | 8.2513 | 0.0008 | 10.5006 | 0.0013 | 9.309 | 0.0008 | 90 | null | 102.849 | 0.011 | 90 | null | 786.37 | 0.14 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C18 H16 O3 S - | - C18 H16 O3 S - | - C36 H32 O6 S2 - | 2 | 1 | R. Retoux; L. Girodier; F. Rouessac | (-)-(SS)-α-Phenyl-2-(p-tolylsulfinyl)-3-furanmethanol | Acta Crystallographica Section C | 1,995 | 51 | 146 | 148 | null | null | 0.0329 | null | null | 0.0912 | null | null | null | null | null | null | null | null | null | has coordinates | R. Retoux; L. Girodier; F. Rouessac
(-)-(SS)-α-Phenyl-2-(p-tolylsulfinyl)-3-furanmethanol
Acta Crystallographica Section C
51
(1995)
146-148 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,408 | 3.992 | 0.001 | 24.356 | 0.002 | 13.071 | 0.001 | 90 | null | 90.55 | 0.01 | 90 | null | 1,270.8 | 0.3 | 294 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C16 H14 O3 - | - C16 H14 O3 - | - C64 H56 O12 - | 4 | 1 | PA1116 | Wallet, J-C.; Molins, E.; Miravitlles, C. | 2'-Hydroxy-2-methoxychalcone | Acta Crystallographica Section C | 1,995 | 51 | 1 | 123 | 125 | 10.1107/S010827019400805X | 0.71073 | MoKα | null | 0.043 | null | null | 0.055 | null | null | null | null | 1.8 | 1.8 | null | null | null | has coordinates | Wallet, J-C.; Molins, E.; Miravitlles, C.
2'-Hydroxy-2-methoxychalcone
Acta Crystallographica Section C
51(1)
(1995)
123-125 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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4,321,747 | 12.697 | 0.001 | 13.247 | 0.001 | 17.793 | 0.001 | 90 | null | 90 | null | 90 | null | 2,992.7 | 0.4 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | hydrothermal synthesis | 6 | P b c a | -P 2ac 2ab | 61 | - C5 H16 Mo2 N2 O11 U - | - C5 H14 Mo2 N2 O11 U - | - C40 H112 Mo16 N16 O88 U8 - | 8 | 1 | P. Shiv Halasyamani; Robin J. Francis; Susan M. Walker; Dermot O'Hare | New Layered Uranium(VI) Molybdates: Syntheses and Structures of (NH~3~(CH~2~)~3~NH~3~)(H~3~O)~2~(UO~2~)~3~(MoO~4~)~5~, C(NH~2~)~3~(OH)(MoO~4~), (C~4~H~12~N~2~)(UO~2~)(MoO~4~)~2~, and (C~5~H~14~N~2~)(UO~2~)(MoO~4~)~2.H~2~O | Inorganic Chemistry | 1,999 | 38 | 271 | 279 | 10.1021/ic980836r | 0.71073 | MoKα | 0.0487 | 0.0476 | null | 0.119 | 0.1186 | null | null | null | 1.415 | 1.432 | 1.432 | null | null | null | has coordinates | P. Shiv Halasyamani; Robin J. Francis; Susan M. Walker; Dermot O'Hare
New Layered Uranium(VI) Molybdates: Syntheses and Structures of (NH~3~(CH~2~)~3~NH~3~)(H~3~O)~2~(UO~2~)~3~(MoO~4~)~5~, C(NH~2~)~3~(OH)(MoO~4~), (C~4~H~12~N~2~)(UO~2~)(MoO~4~)~2~, and (C~5~H~14~N~2~)(UO~2~)(MoO~4~)~2.H~2~O
Inorganic Chemistry
38
(1999... | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,409 | 8.6439 | 0.0004 | 19.5142 | 0.0007 | 10.5033 | 0.0004 | 90 | null | 101.723 | 0.004 | 90 | null | 1,734.74 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C21 H18 N2 O2 - | - C21 H18 N2 O2 - | - C84 H72 N8 O8 - | 4 | 1 | Olszewski, Piotr K.; Stadnicka, Katarzyna | Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System | Acta Crystallographica Section C | 1,995 | 51 | 98 | 103 | null | null | 0.0365 | null | null | 0.0925 | null | null | null | null | null | null | null | null | null | has coordinates | Olszewski, Piotr K.; Stadnicka, Katarzyna
Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System
Acta Crystallographica Section C
51
(1995)
98-103 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,410 | 8.989 | 0.003 | 9.6878 | 0.0011 | 41.67 | 0.004 | 90 | null | 90 | null | 90 | null | 3,628.8 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - C22 H21 N3 O - | - C22 H21 N3 O - | - C176 H168 N24 O8 - | 8 | 1 | Olszewski, Piotr K.; Stadnicka, Katarzyna | Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System | Acta Crystallographica Section C | 1,995 | 51 | 98 | 103 | null | null | 0.0432 | null | null | 0.0852 | null | null | null | null | null | null | null | null | null | has coordinates | Olszewski, Piotr K.; Stadnicka, Katarzyna
Two Centrosymmetric Conjugated Nitrones of the Diazabutadiene System
Acta Crystallographica Section C
51
(1995)
98-103 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,411 | 7.968 | 0.0014 | 8.1104 | 0.0011 | 23.761 | 0.003 | 90 | null | 90 | null | 90 | null | 1,535.5 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C16 H20 O3 S - | - C16 H20 O3 S - | - C64 H80 O12 S4 - | 4 | 1 | R. Retoux; P. Hayes; C. Maignan | (5S,SS)-7-Methyl-8-p-toluenesulfinyl-1,6-dioxaspiro[4.5]dec-7-ene | Acta Crystallographica Section C | 1,995 | 51 | 93 | 94 | null | null | 0.0514 | null | null | 0.1337 | null | null | null | null | null | null | null | null | null | has coordinates | R. Retoux; P. Hayes; C. Maignan
(5S,SS)-7-Methyl-8-p-toluenesulfinyl-1,6-dioxaspiro[4.5]dec-7-ene
Acta Crystallographica Section C
51
(1995)
93-94 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,412 | 8.5143 | 0.0007 | 11.8171 | 0.0006 | 14.752 | 0.0009 | 90 | null | 90 | null | 90 | null | 1,484.3 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C16 H17 N O3 S - | - C16 H17 N O3 S - | - C64 H68 N4 O12 S4 - | 4 | 1 | P. Gosselin; E. Bonfand; C. Maignan; R. Retoux | The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,R~s~)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide | Acta Crystallographica Section C | 1,995 | 51 | 94 | 96 | null | null | 0.0419 | null | null | 0.1108 | null | null | null | null | null | null | null | null | null | has coordinates | P. Gosselin; E. Bonfand; C. Maignan; R. Retoux
The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,R~s~)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide
Acta Crystallographica Section C
51
(1995)
94-96 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,413 | 5.607 | 0.002 | 10.954 | 0.003 | 27.452 | 0.015 | 90 | null | 90 | null | 90 | null | 1,686.1 | 1.1 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C20 H20 N2 O3 - | - C20 H20 N2 O3 - | - C80 H80 N8 O12 - | 4 | 1 | Chiaroni, Angèle; Deyine, Abdallah; Griffard-Brunet, Dominique; Langlois, Nicole; Riche, Claude | (3aS,3bR,6R,7aR)-2-Benzyl-1,2,3a,3b,4,7a-hexahydro-6-phenyl-3,5-dioxa- 2,6a-diazacyclopenta[a]pentalen-7-one | Acta Crystallographica Section C | 1,995 | 51 | 91 | 93 | null | null | 0.037 | null | null | 0.052 | null | null | null | null | null | null | null | 2,003,179 | null | has coordinates | Chiaroni, Angèle; Deyine, Abdallah; Griffard-Brunet, Dominique; Langlois, Nicole; Riche, Claude
(3aS,3bR,6R,7aR)-2-Benzyl-1,2,3a,3b,4,7a-hexahydro-6-phenyl-3,5-dioxa- 2,6a-diazacyclopenta[a]pentalen-7-one
Acta Crystallographica Section C
51
(1995)
91-93 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
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2,010,414 | 11.83 | 0.02 | 8.36 | 0.02 | 18.32 | 0.04 | 90 | null | 71.55 | 0.03 | 90 | null | 1,719 | 6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Chromene | 8,8-diphenyl-[8H]-pyrano[3,2-f] quinoline | - C24 H17 N O - | - C24 H17 N O - | - C96 H68 N4 O4 - | 4 | 1 | PA1125 | Aldoshin, Sergey; Chuev, Igor; Utenyshev, Andrei; Lokshin, Vladimir; Pozzo, Jean Luc; Pèpe, Gérard; Guglielmetti, R. | A Photochromic Pyrido-Annulated 2,2-Diphenylchromene | Acta Crystallographica Section C | 1,995 | 51 | 1 | 141 | 143 | 10.1107/S0108270194008231 | 0.71069 | MoKα | 0.0764 | 0.0547 | null | 0.2335 | 0.0547 | null | null | null | 0.681 | 0.766 | 0.766 | null | null | null | has coordinates | Aldoshin, Sergey; Chuev, Igor; Utenyshev, Andrei; Lokshin, Vladimir; Pozzo, Jean Luc; Pèpe, Gérard; Guglielmetti, R.
A Photochromic Pyrido-Annulated 2,2-Diphenylchromene
Acta Crystallographica Section C
51(1)
(1995)
141-143 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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4,321,746 | 7.096 | 0.001 | 8.388 | 0.001 | 11.634 | 0.001 | 97.008 | 0.003 | 96.454 | 0.003 | 110.456 | 0.003 | 634.94 | 0.13 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | hydrothermal synthesis | 6 | P -1 | -P 1 | 2 | - C4 H12 Mo2 N2 O10 U - | - C4 H12 Mo2 N2 O10 U - | - C8 H24 Mo4 N4 O20 U2 - | 2 | 1 | P. Shiv Halasyamani; Robin J. Francis; Susan M. Walker; Dermot O'Hare | New Layered Uranium(VI) Molybdates: Syntheses and Structures of (NH~3~(CH~2~)~3~NH~3~)(H~3~O)~2~(UO~2~)~3~(MoO~4~)~5~, C(NH~2~)~3~(OH)(MoO~4~), (C~4~H~12~N~2~)(UO~2~)(MoO~4~)~2~, and (C~5~H~14~N~2~)(UO~2~)(MoO~4~)~2.H~2~O | Inorganic Chemistry | 1,999 | 38 | 271 | 279 | 10.1021/ic980836r | 0.71073 | MoKα | 0.0359 | 0.0357 | null | 0.0987 | 0.0986 | null | null | null | 1.184 | 1.188 | 1.188 | null | null | null | has coordinates | P. Shiv Halasyamani; Robin J. Francis; Susan M. Walker; Dermot O'Hare
New Layered Uranium(VI) Molybdates: Syntheses and Structures of (NH~3~(CH~2~)~3~NH~3~)(H~3~O)~2~(UO~2~)~3~(MoO~4~)~5~, C(NH~2~)~3~(OH)(MoO~4~), (C~4~H~12~N~2~)(UO~2~)(MoO~4~)~2~, and (C~5~H~14~N~2~)(UO~2~)(MoO~4~)~2.H~2~O
Inorganic Chemistry
38
(1999... | 179,320 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,415 | 7.082 | 0.01 | 10.065 | 0.008 | 14.559 | 0.01 | 96.03 | 0.06 | 94.13 | 0.09 | 107.59 | 0.09 | 977.9 | 1.8 | 293 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C12 H23 Cl N2 S4 Sn - | - C12 H23 Cl N2 S4 Sn - | - C24 H46 Cl2 N4 S8 Sn2 - | 2 | 1 | SE1051 | Vrabel, V.; Kello, E.; Holecek, J.; Sivy, J.; Lokaj, J. | Chlorobis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)(vinyl)tin(IV) | Acta Crystallographica Section C | 1,995 | 51 | 1 | 70 | 72 | 10.1107/S0108270194006293 | 0.71069 | MoKα | null | 0.038 | null | null | 0.046 | null | null | null | null | 0.93 | 0.93 | null | null | null | has coordinates | Vrabel, V.; Kello, E.; Holecek, J.; Sivy, J.; Lokaj, J.
Chlorobis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)(vinyl)tin(IV)
Acta Crystallographica Section C
51(1)
(1995)
70-72 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,416 | 13.665 | 0.001 | 14.68 | 0.002 | 19.539 | 0.002 | 94.965 | 0.006 | 104.131 | 0.007 | 90.482 | 0.008 | 3,784.9 | 0.7 | 193 | 2 | 193 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C68 H11 Cl3 O4 - | - C68 H11 Cl3 O4 - | - C272 H44 Cl12 O16 - | 4 | 2 | Paulus, E. F.; Bingel, C. | Diethyl Methano-C~60~-fullerene-61,61-dicarboxylate Chloroform Solvate at 193 K, C~67~H~10~O~4~.CHCl~3~ | Acta Crystallographica Section C | 1,995 | 51 | 143 | 146 | null | null | 0.045 | null | null | 0.1101 | null | null | null | null | null | null | null | null | null | has coordinates | Paulus, E. F.; Bingel, C.
Diethyl Methano-C~60~-fullerene-61,61-dicarboxylate Chloroform Solvate at 193 K, C~67~H~10~O~4~.CHCl~3~
Acta Crystallographica Section C
51
(1995)
143-146 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,417 | 16.492 | 0.004 | 9.483 | 0.003 | 7.025 | 0.002 | 90 | 0.02 | 90 | 0.02 | 90 | 0.02 | 1,098.7 | 0.5 | 293 | null | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | securinine | - C13 H15 N O2 - | - C13 H15 N O2 - | - C52 H60 N4 O8 - | 4 | 1 | Luger, Peter; Weber, Manuela; Dung, Nguyen Xuan; Thanh Ky, Pham; Ke Long, Phan | Securinine, an Alkaloid from Fluggea virosa | Acta Crystallographica Section C | 1,995 | 51 | 127 | 129 | null | null | 0.036 | null | null | 0.026 | null | null | null | null | null | null | null | 2,003,181 | null | has coordinates | Luger, Peter; Weber, Manuela; Dung, Nguyen Xuan; Thanh Ky, Pham; Ke Long, Phan
Securinine, an Alkaloid from Fluggea virosa
Acta Crystallographica Section C
51
(1995)
127-129 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
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2,010,418 | 11.844 | 0.002 | 24.508 | 0.004 | 11.021 | 0.003 | 90 | null | 114.32 | 0.01 | 90 | null | 2,915.2 | 1.1 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C31 H29 N O7 S2 - | - C31 H29 N O7 S2 - | - C124 H116 N4 O28 S8 - | 4 | 1 | VJ1002 | Seetharaman, J.; Rajan, S.S. | 1-(Phenylsulfonyl)-2-[1-(phenylsulfonyl)-2-(3,4,5-trimethoxyphenyl)ethyl]indole | Acta Crystallographica Section C | 1,995 | 51 | 1 | 78 | 80 | 10.1107/S0108270194007912 | 1.5418 | CuKα | null | 0.056 | null | null | 0.068 | null | null | null | null | 1.82 | 1.82 | null | null | null | has coordinates | Seetharaman, J.; Rajan, S.S.
1-(Phenylsulfonyl)-2-[1-(phenylsulfonyl)-2-(3,4,5-trimethoxyphenyl)ethyl]indole
Acta Crystallographica Section C
51(1)
(1995)
78-80 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,419 | 3.4603 | 0.0005 | 6.1972 | 0.0009 | 9.548 | 0.002 | 90 | null | 103.47 | 0.01 | 90 | null | 199.12 | 0.06 | 300 | 2 | 300 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | silver oxalate | - C2 Ag2 O4 - | - C2 Ag2 O4 - | - C4 Ag4 O8 - | 2 | 0.5 | Dmitry Yu.Naumov; Alexander V.Virovets; Nina V.Podberezskaya; Elena V.Boldyreva | Silver Oxalate, Ag~2~C~2~O~4~ | Acta Crystallographica Section C | 1,995 | 51 | 60 | 62 | null | null | 0.0259 | null | null | 0.0519 | null | null | null | null | null | null | null | 2,003,182 | null | has coordinates | Dmitry Yu.Naumov; Alexander V.Virovets; Nina V.Podberezskaya; Elena V.Boldyreva
Silver Oxalate, Ag~2~C~2~O~4~
Acta Crystallographica Section C
51
(1995)
60-62 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
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2,010,420 | 5.123 | 0.001 | 8.955 | 0.001 | 10.147 | 0.001 | 80.93 | 0.01 | 75.36 | 0.01 | 89.17 | 0.01 | 444.61 | 0.11 | 293 | 1 | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - H7 N O10.5 S2 Sc - | - H8 N O11 S2 Sc - | - H16 N2 O22 S4 Sc2 - | 2 | 1 | AB1121 | Mirčeva, A.; Golič, L. | Hydroxylammonium Scandium Sulfate Sesquihydrate, Sc(NH~3~OH)(SO~4~)~2~.1.5H~2~O | Acta Crystallographica Section C | 1,995 | 51 | 2 | 175 | 177 | 10.1107/S0108270194003203 | 0.71069 | MoKα | null | 0.03 | null | null | 0.034 | null | null | null | null | 0.42 | 0.42 | null | null | null | has coordinates | Mirčeva, A.; Golič, L.
Hydroxylammonium Scandium Sulfate Sesquihydrate, Sc(NH~3~OH)(SO~4~)~2~.1.5H~2~O
Acta Crystallographica Section C
51(2)
(1995)
175-177 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,421 | 8.342 | 0.003 | 9.861 | 0.002 | 12.735 | 0.002 | 80.41 | 0.02 | 79.91 | 0.02 | 80.96 | 0.02 | 1,008.1 | 0.5 | 295 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C24 H20 N2 O5 - | - C24 H20 N2 O5 - | - C48 H40 N4 O10 - | 2 | 1 | AB1138 | Liu, X.-L.; Wang, J.-L.; Liu, J.-W.; Miao, F.-M. | 6'-Diethylamino-2'-nitrospiro[isobenzofuran-1(3<i>H</i>),9'-[9<i>H</i>]xanthen]-3-one | Acta Crystallographica Section C | 1,995 | 51 | 2 | 324 | 326 | 10.1107/S0108270194005949 | 0.71073 | MoKα | null | 0.035 | null | null | 0.034 | null | null | null | null | 0.721 | 0.721 | null | null | null | has coordinates | Liu, X.-L.; Wang, J.-L.; Liu, J.-W.; Miao, F.-M.
6'-Diethylamino-2'-nitrospiro[isobenzofuran-1(3<i>H</i>),9'-[9<i>H</i>]xanthen]-3-one
Acta Crystallographica Section C
51(2)
(1995)
324-326 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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4,321,745 | 15.411 | 0.001 | 7.086 | 0.001 | 18.108 | 0.001 | 90 | null | 113.125 | 0.003 | 90 | null | 1,818.5 | 0.3 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | hydrothermal synthesis | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C2 H14 Mo2 N6 O14 U2 - | - C2 H12 Mo2 N6 O14 U2 - | - C8 H48 Mo8 N24 O56 U8 - | 4 | 1 | P. Shiv Halasyamani; Robin J. Francis; Susan M. Walker; Dermot O'Hare | New Layered Uranium(VI) Molybdates: Syntheses and Structures of (NH~3~(CH~2~)~3~NH~3~)(H~3~O)~2~(UO~2~)~3~(MoO~4~)~5~, C(NH~2~)~3~(OH)(MoO~4~), (C~4~H~12~N~2~)(UO~2~)(MoO~4~)~2~, and (C~5~H~14~N~2~)(UO~2~)(MoO~4~)~2.H~2~O | Inorganic Chemistry | 1,999 | 38 | 271 | 279 | 10.1021/ic980836r | 0.71073 | MoKα | 0.0351 | 0.0325 | null | 0.0798 | 0.0768 | null | null | null | 1.253 | 1.245 | 1.245 | null | null | null | has coordinates | P. Shiv Halasyamani; Robin J. Francis; Susan M. Walker; Dermot O'Hare
New Layered Uranium(VI) Molybdates: Syntheses and Structures of (NH~3~(CH~2~)~3~NH~3~)(H~3~O)~2~(UO~2~)~3~(MoO~4~)~5~, C(NH~2~)~3~(OH)(MoO~4~), (C~4~H~12~N~2~)(UO~2~)(MoO~4~)~2~, and (C~5~H~14~N~2~)(UO~2~)(MoO~4~)~2.H~2~O
Inorganic Chemistry
38
(1999... | 179,320 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,422 | 8.785 | 0.002 | 11.233 | 0.002 | 14.555 | 0.003 | 72.47 | 0.01 | 84.54 | 0.01 | 69.54 | 0.01 | 1,283.1 | 0.5 | 153 | 1 | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C26 H22 N4 O7 Pd S - | - C28 H16 N4 O8 Pd S2 - | - C56 H32 N8 O16 Pd2 S4 - | 2 | 1 | Tornroos, Karl W. | A Dinitrato(diphenylphenanthroline)palladium(II) Complex | Acta Crystallographica Section C | 1,995 | 51 | 238 | 242 | null | null | 0.0329 | null | null | 0.0757 | null | null | null | null | null | null | null | 2,003,183 | null | has coordinates | Tornroos, Karl W.
A Dinitrato(diphenylphenanthroline)palladium(II) Complex
Acta Crystallographica Section C
51
(1995)
238-242 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
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2,010,423 | 9.325 | 0.001 | 11.474 | 0.002 | 17.418 | 0.003 | 90 | null | 90 | null | 90 | null | 1,863.6 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | quitenine ethyl ester | - C21 H26 N2 O4 - | - C21 H26 N2 O4 - | - C84 H104 N8 O16 - | 4 | 1 | Lewinski, Krzysztof; Nitek, Wojciech; Oleksyn, Barbara J.; Stec, Boguslaw | Quitenine Ethyl Ester | Acta Crystallographica Section C | 1,995 | 51 | 282 | 285 | null | null | 0.0335 | null | null | 0.0914 | null | null | null | null | null | null | null | null | null | has coordinates | Lewinski, Krzysztof; Nitek, Wojciech; Oleksyn, Barbara J.; Stec, Boguslaw
Quitenine Ethyl Ester
Acta Crystallographica Section C
51
(1995)
282-285 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,424 | 9.685 | 0.003 | 7.128 | 0.002 | 13.572 | 0.004 | 90 | null | 99.78 | 0.02 | 90 | null | 923.3 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | - C7 H9 F3 N2 O2 - | - C7 H9 F3 N2 O2 - | - C28 H36 F12 N8 O8 - | 4 | 1 | Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe | Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one | Acta Crystallographica Section C | 1,995 | 51 | 270 | 272 | null | null | 0.073 | null | null | 0.23 | null | null | null | null | null | null | null | null | null | has coordinates | Tinant, Bernard; Declercq, Jean-Paul; Bouillon, Jean-Philippe
Oxime of 1-Methyl-3-trifluoroacetylpyrrolidin-2-one
Acta Crystallographica Section C
51
(1995)
270-272 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,425 | 5.782 | 0.001 | 15.148 | 0.002 | 12.064 | 0.002 | 90 | null | 98.98 | 0.02 | 90 | null | 1,043.7 | 0.3 | 298 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C13 H9 F O2 - | - C13 H9 F O2 - | - C52 H36 F4 O8 - | 4 | 1 | AS1092 | Shibakami, M.; Sekiya, A. | Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate | Acta Crystallographica Section C | 1,995 | 51 | 2 | 326 | 330 | 10.1107/S0108270194003653 | 1.5418 | CuKα | null | 0.046 | null | null | 0.063 | null | null | null | null | 3.38 | 3.38 | null | null | null | has coordinates | Shibakami, M.; Sekiya, A.
Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate
Acta Crystallographica Section C
51(2)
(1995)
326-330 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,426 | 16.966 | 0.002 | 5.783 | 0.001 | 22.038 | 0.001 | 90 | null | 101.981 | 0.008 | 90 | null | 2,115.1 | 0.5 | 298 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C13 H9 F O2 - | - C13 H9 F O2 - | - C104 H72 F8 O16 - | 8 | 1 | AS1092 | Shibakami, M.; Sekiya, A. | Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate | Acta Crystallographica Section C | 1,995 | 51 | 2 | 326 | 330 | 10.1107/S0108270194003653 | 1.5418 | CuKα | null | 0.064 | null | null | 0.072 | null | null | null | null | 2.8 | 2.8 | null | null | null | has coordinates | Shibakami, M.; Sekiya, A.
Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate
Acta Crystallographica Section C
51(2)
(1995)
326-330 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,427 | 5.689 | 0.001 | 14.734 | 0.001 | 12.385 | 0.001 | 90 | null | 101.06 | 0.01 | 90 | null | 1,018.9 | 0.2 | 298 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C13 H10 O2 - | - C13 H10 O2 - | - C52 H40 O8 - | 4 | 1 | AS1092 | Shibakami, M.; Sekiya, A. | Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate | Acta Crystallographica Section C | 1,995 | 51 | 2 | 326 | 330 | 10.1107/S0108270194003653 | 1.5418 | CuKα | null | 0.036 | null | null | 0.054 | null | null | null | null | 2.52 | 2.52 | null | null | null | has coordinates | Shibakami, M.; Sekiya, A.
Phenyl 2-Fluorobenzoate, Phenyl 4-Fluorobenzoate and Phenyl Benzoate
Acta Crystallographica Section C
51(2)
(1995)
326-330 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010427.cif $
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2,010,428 | 7.025 | 0.001 | 15.417 | 0.003 | 11.111 | 0.002 | 90 | null | 102.38 | 0.01 | 90 | null | 1,175.4 | 0.4 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C11 H15 N5 O - | - C11 H15 N5 O - | - C44 H60 N20 O4 - | 4 | 1 | AS1114 | Głowka, M.L. | 3-(4-Pyridyl)-5,6,7,8-tetrahydro-9<i>H</i>-1,2,4-triazolo[4,3-<i>a</i>][1,3]diazepine Monohydrate | Acta Crystallographica Section C | 1,995 | 51 | 2 | 285 | 287 | 10.1107/S0108270194006414 | 0.71069 | MoKα | null | 0.0485 | null | null | 0.0594 | null | null | null | null | 0.63 | 0.63 | null | null | null | has coordinates | Głowka, M.L.
3-(4-Pyridyl)-5,6,7,8-tetrahydro-9<i>H</i>-1,2,4-triazolo[4,3-<i>a</i>][1,3]diazepine Monohydrate
Acta Crystallographica Section C
51(2)
(1995)
285-287 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010428.cif $
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2,010,429 | 9.559 | 0.002 | 12.464 | 0.002 | 10.478 | 0.002 | 90 | null | 94.37 | 0.01 | 90 | null | 1,244.8 | 0.4 | 293 | 1 | null | null | null | null | null | null | 2 | P 1 21/n 1 | -P 2yn | 14 | - C26 H46 - | - C26 H46 - | - C52 H92 - | 2 | 0.5 | AS1115 | Overby, J.S.; Hanusa, T.P. | 2,4,7,9-Tetra-<i>tert</i>-butyl-1,3,7,9-decatetraene | Acta Crystallographica Section C | 1,995 | 51 | 2 | 313 | 315 | 10.1107/S0108270194006426 | 0.71069 | MoKα | null | 0.044 | null | null | 0.05 | null | null | null | null | 1.54 | 1.54 | null | null | null | has coordinates | Overby, J.S.; Hanusa, T.P.
2,4,7,9-Tetra-<i>tert</i>-butyl-1,3,7,9-decatetraene
Acta Crystallographica Section C
51(2)
(1995)
313-315 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010429.cif $
#-------------------------------------------------------------------... | |||||||||||
2,010,430 | 9.7196 | 0.0013 | 9.848 | 0.002 | 30.923 | 0.007 | 90 | null | 90 | null | 90 | null | 2,959.9 | 1 | 122 | 0.5 | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C32 H35 N O9 - | - C32 H35 N O9 - | - C128 H140 N4 O36 - | 4 | 1 | AS1116 | Lopez de Diego, Heidi | (<i>S</i>)-1-Phenylethylammonium (<i>S</i>)-Mandelate–Mandelic Acid (1/2), C~8~H~12~N^+^.C~8~H~7~O~3~^{-^}.2C~8~H~8~O~3~ | Acta Crystallographica Section C | 1,995 | 51 | 2 | 253 | 256 | 10.1107/S010827019400764X | 1.5418 | CuKα | null | 0.044 | null | null | 0.1298 | null | null | null | null | 1.15 | 1.15 | null | null | null | has coordinates | Lopez de Diego, Heidi
(<i>S</i>)-1-Phenylethylammonium (<i>S</i>)-Mandelate–Mandelic Acid (1/2), C~8~H~12~N^+^.C~8~H~7~O~3~^{-^}.2C~8~H~8~O~3~
Acta Crystallographica Section C
51(2)
(1995)
253-256 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010430.cif $
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4,321,744 | 10.465 | 0.001 | 16.395 | 0.001 | 20.241 | 0.001 | 90 | null | 90 | null | 90 | null | 3,472.8 | 0.4 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | hydrothermal synthesis | 6 | P b n m | -P 2c 2ab | 62 | - C3 H16 Mo5 N2 O28 U3 - | - C3 H12 Mo5 N2 O28 U3 - | - C12 H48 Mo20 N8 O112 U12 - | 4 | 0.5 | P. Shiv Halasyamani; Robin J. Francis; Susan M. Walker; Dermot O'Hare | New Layered Uranium(VI) Molybdates: Syntheses and Structures of (NH~3~(CH~2~)~3~NH~3~)(H~3~O)~2~(UO~2~)~3~(MoO~4~)~5~, C(NH~2~)~3~(OH)(MoO~4~), (C~4~H~12~N~2~)(UO~2~)(MoO~4~)~2~, and (C~5~H~14~N~2~)(UO~2~)(MoO~4~)~2.H~2~O | Inorganic Chemistry | 1,999 | 38 | 271 | 279 | 10.1021/ic980836r | 0.71073 | MoKα | 0.0476 | 0.0449 | null | 0.1359 | 0.1341 | null | null | null | 1.063 | 1.088 | 1.088 | null | null | null | has coordinates | P. Shiv Halasyamani; Robin J. Francis; Susan M. Walker; Dermot O'Hare
New Layered Uranium(VI) Molybdates: Syntheses and Structures of (NH~3~(CH~2~)~3~NH~3~)(H~3~O)~2~(UO~2~)~3~(MoO~4~)~5~, C(NH~2~)~3~(OH)(MoO~4~), (C~4~H~12~N~2~)(UO~2~)(MoO~4~)~2~, and (C~5~H~14~N~2~)(UO~2~)(MoO~4~)~2.H~2~O
Inorganic Chemistry
38
(1999... | 179,320 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179320 $
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2,010,431 | 8.189 | 0.003 | 5.047 | 0.001 | 11.305 | 0.005 | 90 | null | 96.12 | 0.02 | 90 | null | 464.6 | 0.5 | 293 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C7 H13 N3 O3 - | - C7 H13 N3 O3 - | - C14 H26 N6 O6 - | 2 | 1 | AS1117 | Puliti, Raffaella; Mattia, Carlo Andrea | N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 336 | 339 | 10.1107/s0108270194008577 | 1.54056 | CuKα | null | 0.03 | null | null | 0.033 | null | null | null | null | null | null | null | 2,003,186 | null | has coordinates | Puliti, Raffaella; Mattia, Carlo Andrea
N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
336-339 | 218,377 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2019-09-17 15:41:00 +0300 (Tue, 17 Sep 2019) $
#$Revision: 218377 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010431.cif $
#-------------------------------------------------------------------... | |||||||||||
2,010,432 | 5.5005 | 0.0004 | 9.429 | 0.001 | 20.712 | 0.002 | 90 | null | 90 | null | 90 | null | 1,074.2 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C8 H15 N3 O3 - | - C8 H15 N3 O3 - | - C32 H60 N12 O12 - | 4 | 1 | AS1117 | Puliti, Raffaella; Mattia, Carlo Andrea | N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 336 | 339 | 10.1107/s0108270194008577 | 1.54056 | CuKα | null | 0.036 | null | null | 0.04 | null | null | null | null | 0.97 | 0.97 | null | 2,003,187 | null | has coordinates | Puliti, Raffaella; Mattia, Carlo Andrea
N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
336-339 | 218,377 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2019-09-17 15:41:00 +0300 (Tue, 17 Sep 2019) $
#$Revision: 218377 $
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2,010,433 | 9.995 | 0.004 | 14.143 | 0.003 | 13.171 | 0.004 | 90 | null | 91.96 | 0.03 | 90 | null | 1,860.8 | 1 | 298 | 3 | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C10 H26 Cl2 N4 Ni O8 - | - C10 H26 Cl2 N4 Ni O8 - | - C40 H104 Cl8 N16 Ni4 O32 - | 4 | 1 | AS1127 | Tahirov, T. H.; Lu, T.-H.; Shu, K.; Chung, C.-S. | Two Forms of (5,5-Dimethyl-4,7-diazadecane-1,10-diamine)nickel(II) Diperchlorate | Acta Crystallographica Section C | 1,995 | 51 | 2 | 229 | 232 | 10.1107/S0108270194009492 | 0.71073 | MoKα | null | 0.062 | null | null | 0.083 | null | null | null | null | 1.57 | 1.57 | null | null | null | has coordinates | Tahirov, T. H.; Lu, T.-H.; Shu, K.; Chung, C.-S.
Two Forms of (5,5-Dimethyl-4,7-diazadecane-1,10-diamine)nickel(II) Diperchlorate
Acta Crystallographica Section C
51(2)
(1995)
229-232 | 190,732 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-19 18:22:45 +0200 (Thu, 19 Jan 2017) $
#$Revision: 190732 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010433.cif $
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2,010,434 | 9.605 | 0.002 | 15.309 | 0.006 | 13.01 | 0.002 | 90 | null | 105.64 | 0.02 | 90 | null | 1,842.2 | 0.9 | 298 | 3 | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C10 H26 Cl2 N4 Ni O8 - | - C10 H26 Cl2 N4 Ni O8 - | - C40 H104 Cl8 N16 Ni4 O32 - | 4 | 1 | AS1127 | Tahirov, T. H.; Lu, T.-H.; Shu, K.; Chung, C.-S. | Two Forms of (5,5-Dimethyl-4,7-diazadecane-1,10-diamine)nickel(II) Diperchlorate | Acta Crystallographica Section C | 1,995 | 51 | 2 | 229 | 232 | 10.1107/S0108270194009492 | 0.71073 | MoKα | null | 0.049 | null | null | 0.066 | null | null | null | null | 1.27 | 1.27 | null | null | null | has coordinates | Tahirov, T. H.; Lu, T.-H.; Shu, K.; Chung, C.-S.
Two Forms of (5,5-Dimethyl-4,7-diazadecane-1,10-diamine)nickel(II) Diperchlorate
Acta Crystallographica Section C
51(2)
(1995)
229-232 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,435 | 10.3118 | 0.0007 | 11.5912 | 0.0006 | 7.1818 | 0.0006 | 90 | null | 90 | null | 90 | null | 858.41 | 0.08 | 293 | null | 20 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C6 H12 Cl N O3 - | - C6 H11 Cl N O3 - | - C24 H44 Cl4 N4 O12 - | 4 | 1 | AS1139 | Jones, Graham P.; Paleg, Leslie G.; Waisel, Yoav; Solomon, Aaron; Beer, Sven; Tiekink, Edward R. T. | trans-3-Hydroxy-N-methyl-L-proline Hydrochloride | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 287 | 289 | 10.1107/S0108270194009431 | 1.5418 | CuKα | null | 0.05 | null | null | 0.059 | null | null | null | null | 4.25 | 4.25 | null | 2,003,188 | null | has coordinates | Jones, Graham P.; Paleg, Leslie G.; Waisel, Yoav; Solomon, Aaron; Beer, Sven; Tiekink, Edward R. T.
trans-3-Hydroxy-N-methyl-L-proline Hydrochloride
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
287-289 | 209,634 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-08-12 21:45:34 +0300 (Sun, 12 Aug 2018) $
#$Revision: 209634 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010435.cif $
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4,321,743 | 15.078 | 0.004 | 28.954 | 0.006 | 31.74 | 0.009 | 90 | null | 99.54 | 0.03 | 90 | null | 13,665 | 6 | 173 | null | 173 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C102 H202 Al N O24 Si16 - | - C102 H202 Al N O24 Si16 - | - C408 H808 Al4 N4 O96 Si64 - | 4 | 1 | Frank T. Edelmann; Yurii K. Gun'ko; Stephan Giessmann; Falk Olbrich; Klaus Jacob | Silsesquioxane Chemistry: Synthesis and Structure of the Novel Anionic Aluminosilsesquioxane [HNEt3][{Cy7Si7O9(OSiMe3)O2}2Al].C6H14 (Cy = c-C6H11) | Inorganic Chemistry | 1,999 | 38 | 210 | 211 | 10.1021/ic9808100 | 0.71073 | MoKα | 0.1949 | 0.0886 | null | null | 0.2018 | 0.2599 | null | null | null | null | null | 1.01 | null | null | has coordinates | Frank T. Edelmann; Yurii K. Gun'ko; Stephan Giessmann; Falk Olbrich; Klaus Jacob
Silsesquioxane Chemistry: Synthesis and Structure of the Novel Anionic Aluminosilsesquioxane [HNEt3][{Cy7Si7O9(OSiMe3)O2}2Al].C6H14 (Cy = c-C6H11)
Inorganic Chemistry
38
(1999)
210-211 | 301,838 | 2025-08-20 | 22:17:33 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301838 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321743.cif $
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2,010,436 | 9.347 | 0.008 | 4.772 | 0.007 | 12.967 | 0.005 | 90 | null | 90.49 | 0.05 | 90 | null | 578.3 | 0.8 | 23 | null | 290 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C9 H16 N4 O5 - | - C9 H16 N4 O5 - | - C18 H32 N8 O10 - | 2 | 1 | Delaere, Ian M.; Tate, Max E.; Jones, Graham P.; Tiekink, Edward R. T. | N-γ-L-Glutamyl-β-cyano-L-alanine, an Antinutritional Factor ex Vicia sativa L., as its Ammonium Salt | Acta Crystallographica Section C | 1,995 | 51 | 2 | 289 | 291 | 10.1107/S0108270194009443 | null | null | 0.06 | null | null | 0.054 | null | null | null | null | null | null | null | 2,003,189 | null | has coordinates | Delaere, Ian M.; Tate, Max E.; Jones, Graham P.; Tiekink, Edward R. T.
N-γ-L-Glutamyl-β-cyano-L-alanine, an Antinutritional Factor ex Vicia sativa L., as its Ammonium Salt
Acta Crystallographica Section C
51(2)
(1995)
289-291 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010436.cif $
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2,010,437 | 5.782 | 0.002 | 18.164 | 0.005 | 7.531 | 0.002 | 90 | null | 90.07 | 0.02 | 90 | null | 790.9 | 0.4 | 294 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C6 H6 O5 S - | - C6 H6 O5 S - | - C24 H24 O20 S4 - | 4 | 1 | BK1034 | Webb, T.R.; Ho, Z.-C.; Livant, P. | <i>cis</i>,<i>trans</i>-3,3'-Sulfinylbis(acrylic acid) | Acta Crystallographica Section C | 1,995 | 51 | 2 | 304 | 306 | 10.1107/S0108270194005457 | 0.71073 | MoKα | null | 0.0534 | null | null | 0.0649 | null | null | null | null | 1.44 | 1.44 | null | null | null | has coordinates | Webb, T.R.; Ho, Z.-C.; Livant, P.
<i>cis</i>,<i>trans</i>-3,3'-Sulfinylbis(acrylic acid)
Acta Crystallographica Section C
51(2)
(1995)
304-306 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,438 | 17.985 | 0.007 | 15.9 | 0.007 | 15.042 | 0.005 | 90 | null | 104.23 | 0.04 | 90 | null | 4,169 | 3 | 298 | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C49 H36 Cl2 N4 O4 Zr - | - C49 H34 Cl4 N4 O4 Zr - | - C196 H136 Cl16 N16 O16 Zr4 - | 4 | 0.5 | BK1042 | Huhmann, Jean L.; Corey, Joyce Y.; Rath, Nigam P. | (Tetraphenylporphyrinato)zirconium(IV) Diacetate | Acta Crystallographica Section C | 1,995 | 51 | 2 | 195 | 197 | 10.1107/S0108270194008553 | 0.71073 | MoKα | null | 0.0763 | null | null | 0.0822 | null | null | null | null | 1.07 | 1.07 | null | null | null | has coordinates | Huhmann, Jean L.; Corey, Joyce Y.; Rath, Nigam P.
(Tetraphenylporphyrinato)zirconium(IV) Diacetate
Acta Crystallographica Section C
51(2)
(1995)
195-197 | 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/2/01/04/2010438.cif $
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2,010,439 | 20.503 | 0.003 | 13.436 | 0.002 | 22.916 | 0.004 | 90 | null | 112.357 | 0.014 | 90 | null | 5,838.3 | 1.6 | 295 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C30 H39 Cl Sn - | - C30 H39 Cl Sn - | - C240 H312 Cl8 Sn8 - | 8 | 1 | BK1044 | Wharf, I.; Simard, M. G.; McGinn, K. | Tris(4-tert-butylphenyl)chlorotin(IV) | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 236 | 238 | 10.1107/S010827019400987X | 1.5418 | CuKα | null | 0.051 | null | null | 0.054 | null | null | null | null | 2.94 | 2.94 | null | 2,003,190 | null | has coordinates | Wharf, I.; Simard, M. G.; McGinn, K.
Tris(4-tert-butylphenyl)chlorotin(IV)
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
236-238 | 209,641 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-08-13 02:09:32 +0300 (Mon, 13 Aug 2018) $
#$Revision: 209641 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010439.cif $
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2,010,440 | 24.443 | 0.009 | 9.102 | 0.002 | 15.356 | 0.005 | 90 | null | 116.01 | 0.03 | 90 | null | 3,070.4 | 1.8 | 297 | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C36 H30 Cu N O2 P2 - | - C36 H30 Cu N O2 P2 - | - C144 H120 Cu4 N4 O8 P8 - | 4 | 0.5 | BK1045 | Halfen, Jason A.; Tolman, William B. | (Nitrito-<i>O</i>,<i>O</i>')bis(triphenylphosphine)copper(I), (PPh~3~)~2~Cu(NO~2~-<i>O</i>,<i>O</i>') | Acta Crystallographica Section C | 1,995 | 51 | 2 | 215 | 217 | 10.1107/S0108270194008991 | 0.71073 | MoKα | null | 0.063 | null | null | 0.06 | null | null | null | null | 1.72 | 1.72 | null | null | null | has coordinates | Halfen, Jason A.; Tolman, William B.
(Nitrito-<i>O</i>,<i>O</i>')bis(triphenylphosphine)copper(I), (PPh~3~)~2~Cu(NO~2~-<i>O</i>,<i>O</i>')
Acta Crystallographica Section C
51(2)
(1995)
215-217 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010440.cif $
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2,010,441 | 9.415 | 0.002 | 11.539 | 0.003 | 13.388 | 0.002 | 72.18 | 0.01 | 79.37 | 0.01 | 76.9 | 0.03 | 1,338.2 | 0.5 | 294 | null | 294 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | (η^5^-Cyclopentadienyl)[η^2^-diphenyl(o-phenylene)methyl] oxo(trimethylsilylmethylthio)tungsten(VI) | - C29 H32 O S Si W - | - C29 H32 O S Si W - | - C58 H64 O2 S2 Si2 W2 - | 2 | 1 | BK1047 | Brunet, Nathalie; Legzdins, Peter; Trotter, James; Yee, Vivien C. | (η5-Cyclopentadienyl)[2-(1,1-diphenylethyl-C^2^)phenyl-C^1^]oxo (trimethylsilylmethylthio)tungsten, [WO(C~4~H~11~SSi)(C~5~H~5~)(C~20~H~16~)] | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 2 | 193 | 195 | 10.1107/S0108270194007079 | 0.7093 | MolybdenumKα~1~ | 0.04 | 0.027 | null | 0.032 | 0.032 | null | null | null | null | 1.25 | 1.25 | null | 2,003,191 | null | has coordinates | Brunet, Nathalie; Legzdins, Peter; Trotter, James; Yee, Vivien C.
(η5-Cyclopentadienyl)[2-(1,1-diphenylethyl-C^2^)phenyl-C^1^]oxo (trimethylsilylmethylthio)tungsten, [WO(C~4~H~11~SSi)(C~5~H~5~)(C~20~H~16~)]
Acta Crystallographica, Section C: Crystal Structure Communications
51(2)
(1995)
193-195 | 190,982 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-26 16:41:55 +0200 (Thu, 26 Jan 2017) $
#$Revision: 190982 $
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4,321,742 | 10.966 | 0.001 | 12.787 | 0.002 | 16.8609 | 0.0012 | 87.558 | 0.007 | 85.739 | 0.007 | 72.38 | 0.008 | 2,246.6 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | {Tris[(2,6-di-isopropylphenyl)amido]}indium(III)dipyridine | - C46 H64 In N5 - | - C46 H64 In N5 - | - C92 H128 In2 N10 - | 2 | 1 | Joel S. Silverman; Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Brian G. McBurnett | Synthesis and Structural Characterization of Some Monomeric Group 13 Amides | Inorganic Chemistry | 1,999 | 38 | 296 | 300 | 10.1021/ic980619q | 0.71073 | MoKα | 0.0946 | 0.0527 | null | 0.1038 | 0.09 | null | null | null | 1.069 | 1.116 | 1.116 | null | null | null | has coordinates | Joel S. Silverman; Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Brian G. McBurnett
Synthesis and Structural Characterization of Some Monomeric Group 13 Amides
Inorganic Chemistry
38
(1999)
296-300 | 179,320 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,442 | 7.889 | 0.001 | 19.49 | 0.003 | 8.559 | 0.001 | 90 | null | 101.7 | 0.01 | 90 | null | 1,288.7 | 0.6 | 295 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H22 O3 - | - C14 H22 O3 - | - C56 H88 O12 - | 4 | 1 | Park, Kwangyong; Swenson, Dale C.; Scott, William J.; Wiemer, David F. | (1β,5α,6β)-10,10-(1,2-Ethylenedioxy)-1,5-di-methylbicyclo [4.4.0]decan-4-one | Acta Crystallographica Section C | 1,995 | 51 | 268 | 270 | null | null | 0.046 | null | null | 0.072 | null | null | null | null | null | null | null | 2,003,192 | null | has coordinates | Park, Kwangyong; Swenson, Dale C.; Scott, William J.; Wiemer, David F.
(1β,5α,6β)-10,10-(1,2-Ethylenedioxy)-1,5-di-methylbicyclo [4.4.0]decan-4-one
Acta Crystallographica Section C
51
(1995)
268-270 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
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2,010,443 | 26.377 | 0.004 | 8.297 | 0.002 | 9.994 | 0.002 | 90 | null | 90 | null | 90 | null | 2,187.2 | 0.8 | 298 | null | null | null | null | null | null | null | 4 | P b c a | null | - C9 H15 O5 P - | - C9 H15 O5 P - | - C72 H120 O40 P8 - | 8 | 1 | Lane, Thomas M.; Rodriguez, Oscar P.; Sommese, Anthony G.; Cremer, Sheldon E.; Bennett, Dennis W. | cis-6-Methoxycarbonyl-2,10-dioxa-1-phosphabicyclo[4.4.0]decane 1-Oxide | Acta Crystallographica Section C | 1,995 | 51 | 251 | 253 | null | null | 0.034 | null | null | 0.055 | null | null | null | null | null | null | null | 2,003,193 | null | has coordinates | Lane, Thomas M.; Rodriguez, Oscar P.; Sommese, Anthony G.; Cremer, Sheldon E.; Bennett, Dennis W.
cis-6-Methoxycarbonyl-2,10-dioxa-1-phosphabicyclo[4.4.0]decane 1-Oxide
Acta Crystallographica Section C
51
(1995)
251-253 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
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2,010,444 | 8.204 | 0.003 | 8.204 | 0.003 | 4.159 | 0.001 | 90 | null | 90 | null | 120 | null | 242.42 | 0.14 | 291 | 2 | 291 | 2 | null | null | null | null | 4 | P 3 2 1 | P 3 2" | 150 | strontium dibromide hexahydrate | - Br2 H12 O6 Sr - | - Br2 H12 O6 Sr - | - Br2 H12 O6 Sr - | 1 | 0.166667 | Abrahams, Isaac; Vordemvenne, Elke | Strontium Dibromide Hexahydrate | Acta Crystallographica Section C | 1,995 | 51 | 183 | 185 | null | null | 0.0294 | null | null | 0.075 | null | null | null | null | null | null | null | null | null | has coordinates | Abrahams, Isaac; Vordemvenne, Elke
Strontium Dibromide Hexahydrate
Acta Crystallographica Section C
51
(1995)
183-185 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,445 | 10.0416 | 0.0004 | 8.0285 | 0.0003 | 4.8553 | 0.0002 | 90 | null | 90 | null | 90 | null | 391.43 | 0.04 | 298 | 2 | 298 | null | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | Lithium Berylloarsenate Hydrate Li-A type | - As Be H2 Li O5 - | - As Be H2 Li O5 - | - As4 Be4 H8 Li4 O20 - | 4 | 1 | Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D. | Lithium Berylloarsenate Hydrate, LiBeAsO~4~.H~2~O | Acta Crystallographica Section C | 1,995 | 51 | 181 | 183 | null | null | null | null | null | null | null | null | null | null | null | null | null | 2,003,195 | null | has coordinates | Harrison, William T. A.; Gier, Thurman E.; Stucky, Galen D.
Lithium Berylloarsenate Hydrate, LiBeAsO~4~.H~2~O
Acta Crystallographica Section C
51
(1995)
181-183 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
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2,010,446 | 13.613 | 0.005 | 5.919 | 0.009 | 14.988 | 0.002 | 90 | null | 114.563 | 0.01 | 90 | null | 1,098.4 | 1.7 | 300 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C10 H10 N4 O2 S - | - C10 H10 N4 O2 S - | - C40 H40 N16 O8 S4 - | 4 | 1 | CR1071 | Kokila, M. K.; Puttaraja, ?; Kulkarni, M. V.; Thampi, S. | 4-Amino-<i>N</i>-(2-pyrimidinyl)benzenesulfonamide | Acta Crystallographica Section C | 1,995 | 51 | 2 | 333 | 336 | 10.1107/S0108270193014180 | 1.5418 | CuKα | null | 0.064 | null | null | 0.086 | null | null | null | null | 2.78 | 2.78 | null | null | null | has coordinates | Kokila, M. K.; Puttaraja, ?; Kulkarni, M. V.; Thampi, S.
4-Amino-<i>N</i>-(2-pyrimidinyl)benzenesulfonamide
Acta Crystallographica Section C
51(2)
(1995)
333-336 | 208,377 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $
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4,321,741 | 11.569 | 0.002 | 22.13 | 0.006 | 24.92 | 0.005 | 100.6 | 0.02 | 102.8 | 0.02 | 90.25 | 0.02 | 6,109 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | {Tris[(2,6-di-isopropylphenyl)amido]}gallium(III)pyridine | - C41 H59 Ga N4 - | - C41 H59 Ga N4 - | - C246 H354 Ga6 N24 - | 6 | 3 | Joel S. Silverman; Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Brian G. McBurnett | Synthesis and Structural Characterization of Some Monomeric Group 13 Amides | Inorganic Chemistry | 1,999 | 38 | 296 | 300 | 10.1021/ic980619q | 0.71073 | MoKα | 0.2618 | 0.0621 | null | 0.1266 | 0.0818 | null | null | null | 0.992 | 1.159 | 1.159 | null | null | null | has coordinates | Joel S. Silverman; Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Brian G. McBurnett
Synthesis and Structural Characterization of Some Monomeric Group 13 Amides
Inorganic Chemistry
38
(1999)
296-300 | 179,320 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $
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2,010,447 | 7.428 | 0.001 | 9.652 | 0.001 | 11.102 | 0.002 | 73.29 | 0.02 | 70.89 | 0.02 | 70.49 | 0.02 | 694.6 | 0.2 | 300 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C11 H17 N3 O4 S - | - C11 H17 N3 O4 S - | - C22 H34 N6 O8 S2 - | 2 | 1 | CR1072 | Kokila, M.K.; Puttaraja; Kulkarni, M.V.; Thampi, S. | 3,4,5-Trimethoxybenzaldehyde Thiosemicarbazone Monohydrate | Acta Crystallographica Section C | 1,995 | 51 | 2 | 330 | 333 | 10.1107/S0108270193014015 | 1.5418 | CuKα | null | 0.036 | null | null | 0.039 | null | null | null | null | 1.92 | 1.92 | null | null | null | has coordinates | Kokila, M.K.; Puttaraja; Kulkarni, M.V.; Thampi, S.
3,4,5-Trimethoxybenzaldehyde Thiosemicarbazone Monohydrate
Acta Crystallographica Section C
51(2)
(1995)
330-333 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,448 | 19.874 | 0.001 | 23.935 | 0.002 | 9.496 | 0.001 | 90 | null | 90 | null | 90 | null | 4,517.1 | 0.6 | 290 | null | null | null | null | null | null | null | 4 | P 21 21 2 | P 2 2ab | 18 | - C48 H52 N2 O15 - | - C48 H52 N2 O15 - | - C192 H208 N8 O60 - | 4 | 1 | CR1123 | Gao, Q.; Golik, J. | 2'-Carbamate Taxol | Acta Crystallographica Section C | 1,995 | 51 | 2 | 295 | 298 | 10.1107/S0108270194005317 | 1.5418 | CuKα | null | 0.041 | null | null | 0.041 | null | null | null | null | 1.149 | 1.149 | null | null | null | has coordinates | Gao, Q.; Golik, J.
2'-Carbamate Taxol
Acta Crystallographica Section C
51(2)
(1995)
295-298 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,449 | 6.6219 | 0.0003 | 9.4738 | 0.0013 | 12.462 | 0.002 | 96.475 | 0.011 | 93.022 | 0.007 | 107.315 | 0.008 | 738.53 | 0.16 | 297 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C9 H7 F O - | - C9 H7 F O - | - C36 H28 F4 O4 - | 4 | 2 | CR1124 | Garcia, J. G.; Enas, J. D.; VanBrocklin, H. F.; Fronczek, F. R. | 5-Fluoro-1-indanone and 2,2-Dimethyl-5-fluoro-1-indanone | Acta Crystallographica Section C | 1,995 | 51 | 2 | 301 | 304 | 10.1107/S0108270194005329 | 1.54184 | CuKα | null | 0.056 | null | null | 0.076 | null | null | null | null | 4.462 | 4.462 | null | null | null | has coordinates | Garcia, J. G.; Enas, J. D.; VanBrocklin, H. F.; Fronczek, F. R.
5-Fluoro-1-indanone and 2,2-Dimethyl-5-fluoro-1-indanone
Acta Crystallographica Section C
51(2)
(1995)
301-304 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,450 | 13.992 | 0.001 | 6.962 | 0.001 | 9.788 | 0.001 | 90 | null | 90 | null | 90 | null | 953.47 | 0.18 | 296 | null | null | null | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | - C11 H11 F O - | - C11 H11 F O - | - C44 H44 F4 O4 - | 4 | 0.5 | CR1124 | Garcia, J. G.; Enas, J. D.; VanBrocklin, H. F.; Fronczek, F. R. | 5-Fluoro-1-indanone and 2,2-Dimethyl-5-fluoro-1-indanone | Acta Crystallographica Section C | 1,995 | 51 | 2 | 301 | 304 | 10.1107/S0108270194005329 | 1.54184 | CuKα | null | 0.044 | null | null | 0.055 | null | null | null | null | 2.152 | 2.152 | null | null | null | has coordinates | Garcia, J. G.; Enas, J. D.; VanBrocklin, H. F.; Fronczek, F. R.
5-Fluoro-1-indanone and 2,2-Dimethyl-5-fluoro-1-indanone
Acta Crystallographica Section C
51(2)
(1995)
301-304 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,451 | 10.026 | 0.004 | 9.23 | 0.003 | 16.943 | 0.007 | 90 | null | 97.3 | 0.03 | 90 | null | 1,555.2 | 1 | 173 | 1 | 173 | 1 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C17 H17 N5 O - | - C17 H17 N5 O - | - C68 H68 N20 O4 - | 4 | 1 | Lynch, Vincent M.; Hulme, Christopher; Magnus, Philip; Davis, Brian E. | Novel N-Acyl α-Azidopyrrolidines (N-Acyliminium-Ion Precursors) | Acta Crystallographica Section C | 1,995 | 51 | 262 | 265 | null | null | 0.0489 | null | null | 0.0499 | null | null | null | null | null | null | null | 2,003,196 | null | has coordinates | Lynch, Vincent M.; Hulme, Christopher; Magnus, Philip; Davis, Brian E.
Novel N-Acyl α-Azidopyrrolidines (N-Acyliminium-Ion Precursors)
Acta Crystallographica Section C
51
(1995)
262-265 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
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2,010,452 | 10.198 | 0.002 | 18.087 | 0.003 | 10.232 | 0.002 | 90 | null | 119.77 | 0.01 | 90 | null | 1,638.2 | 0.6 | 173 | 1 | 173 | 1 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H17 N7 O4 - | - C14 H17 N7 O4 - | - C56 H68 N28 O16 - | 4 | 1 | Lynch, Vincent M.; Hulme, Christopher; Magnus, Philip; Davis, Brian E. | Novel N-Acyl α-Azidopyrrolidines (N-Acyliminium-Ion Precursors) | Acta Crystallographica Section C | 1,995 | 51 | 262 | 265 | null | null | 0.04 | null | null | 0.0411 | null | null | null | null | null | null | null | 2,003,197 | null | has coordinates | Lynch, Vincent M.; Hulme, Christopher; Magnus, Philip; Davis, Brian E.
Novel N-Acyl α-Azidopyrrolidines (N-Acyliminium-Ion Precursors)
Acta Crystallographica Section C
51
(1995)
262-265 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
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4,321,740 | 14.463 | 0.002 | 11.974 | 0.001 | 31.179 | 0.003 | 90 | null | 101.564 | 0.008 | 90 | null | 5,290 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Tris[(2,4,6-tri-t-butylphenyl)amido]indium(III) | - C54 H90 In N3 - | - C54 H90 In N3 - | - C216 H360 In4 N12 - | 4 | 1 | Joel S. Silverman; Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Brian G. McBurnett | Synthesis and Structural Characterization of Some Monomeric Group 13 Amides | Inorganic Chemistry | 1,999 | 38 | 296 | 300 | 10.1021/ic980619q | 0.71073 | MoKα | 0.1369 | 0.079 | null | 0.2167 | 0.1944 | null | null | null | 1.583 | 1.842 | 1.842 | null | null | null | has coordinates | Joel S. Silverman; Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Brian G. McBurnett
Synthesis and Structural Characterization of Some Monomeric Group 13 Amides
Inorganic Chemistry
38
(1999)
296-300 | 201,982 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
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2,010,453 | 7.148 | 0.003 | 7.586 | 0.003 | 8.888 | 0.004 | 109.74 | 0.03 | 76.7 | 0.05 | 107.37 | 0.05 | 428.4 | 0.3 | 295 | 2 | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C10 H24 Cu N10 O6 - | - C10 H22 Cu N10 O6 - | - C10 H22 Cu N10 O6 - | 1 | 0.5 | DU1088 | Viossat, B.; Tomas, A.; Nguyen-Huy Dung | L'hydrogénocarbonate de Bis(<i>N</i>,<i>N</i>-diméthylbiguanide) Cuivre(II), [Cu(C~4~H~11~N~5~)~2~]2HCO~3~ | Acta Crystallographica Section C | 1,995 | 51 | 2 | 213 | 215 | 10.1107/S0108270194006086 | 0.7107 | MoKα | null | 0.05 | null | null | 0.04 | null | null | null | null | 1.47 | 1.47 | null | null | null | has coordinates | Viossat, B.; Tomas, A.; Nguyen-Huy Dung
L'hydrogénocarbonate de Bis(<i>N</i>,<i>N</i>-diméthylbiguanide) Cuivre(II), [Cu(C~4~H~11~N~5~)~2~]2HCO~3~
Acta Crystallographica Section C
51(2)
(1995)
213-215 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,454 | 6.061 | 0.001 | 6.061 | 0.001 | 9.525 | 0.001 | 90 | null | 90 | null | 90 | null | 349.9 | 0.1 | 294 | null | null | null | null | null | null | null | 3 | I 4/m c m | -I 4 2c | 140 | - Al2.7 Fe Si2.3 - | - Al2.7 Fe Si2.3 - | - Al10.8 Fe4 Si9.2 - | 4 | 0.125 | Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N. | FeAl~3~Si~2~ | Acta Crystallographica Section C | 1,995 | 51 | 177 | 179 | null | null | 0.014 | null | null | 0.02 | null | null | null | null | null | null | null | null | null | has coordinates | Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.
FeAl~3~Si~2~
Acta Crystallographica Section C
51
(1995)
177-179 | 277,834 | 2022-09-14 | 16:39:43 | #------------------------------------------------------------------------------
#$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $
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2,010,455 | 6.061 | 0.001 | 6.061 | 0.001 | 9.525 | 0.001 | 90 | null | 90 | null | 90 | null | 349.9 | 0.1 | 294 | null | null | null | null | null | null | null | 3 | P b c n | -P 2n 2ab | 60 | - Al2.7 Fe Si2.3 - | - Al3 Fe Si2 - | - Al12 Fe4 Si8 - | 4 | 0.5 | Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N. | FeAl~3~Si~2~ | Acta Crystallographica Section C | 1,995 | 51 | 177 | 179 | null | null | 0.034 | null | null | 0.037 | null | null | null | null | null | null | null | null | null | has coordinates | Gueneau, C.; Servant, C.; d'Yvoire, F.; Rodier, N.
FeAl~3~Si~2~
Acta Crystallographica Section C
51
(1995)
177-179 | 277,834 | 2022-09-14 | 16:39:43 | #------------------------------------------------------------------------------
#$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $
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2,010,456 | 7.058 | 0.007 | 18.962 | 0.007 | 17.05 | 0.02 | 90 | null | 90.92 | 0.09 | 90 | null | 2,281 | 2 | 273.2 | null | 273.2 | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C15 H30 Cl3 N2 O Re S2 - | - C15 H30 Cl3 N2 O Re S2 - | - C60 H120 Cl12 N8 O4 Re4 S8 - | 4 | 1 | Hambley, Trevor W.; Knott, Robert K.; Jackson, Timothy W.; Kojima, Masaharu; Lambrecht, Richard M. | [3,10-Diethyl-5,8-diazadodecane-3,10-dithiolato-(3-)- N,N',S,S')oxorhenium(IV) Chloroform Solvate | Acta Crystallographica Section C | 1,995 | 51 | 203 | 205 | null | null | 0.05 | null | null | 0.054 | null | null | null | null | null | null | null | 2,003,198 | null | has coordinates | Hambley, Trevor W.; Knott, Robert K.; Jackson, Timothy W.; Kojima, Masaharu; Lambrecht, Richard M.
[3,10-Diethyl-5,8-diazadodecane-3,10-dithiolato-(3-)- N,N',S,S')oxorhenium(IV) Chloroform Solvate
Acta Crystallographica Section C
51
(1995)
203-205 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010456.cif $
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2,010,457 | 5.166 | 0.002 | 20.282 | 0.002 | 15.513 | 0.003 | 90 | null | 96.41 | 0.03 | 90 | null | 1,615.2 | 0.5 | 294 | null | 294 | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | aversin | - C20 H16 O7 - | - C20 H16 O7 - | - C80 H64 O28 - | 4 | 2 | Chan, Simon; Trotter, James | Aversin | Acta Crystallographica Section C | 1,995 | 51 | 272 | 274 | null | null | 0.063 | null | null | 0.079 | null | null | null | null | null | null | null | 2,003,199 | null | has coordinates | Chan, Simon; Trotter, James
Aversin
Acta Crystallographica Section C
51
(1995)
272-274 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
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2,010,458 | 4.533 | 0.001 | 16.537 | 0.003 | 12.687 | 0.003 | 90 | null | 97.22 | 0.03 | 90 | null | 943.5 | 0.3 | 569 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 9(10H)-ACRIDONE | - C13 H9 N O - | - C13 H9 N O - | - C52 H36 N4 O4 - | 4 | 1 | Potts, Graham D.; Jones, W. | 9(10H)-Acridone | Acta Crystallographica Section C | 1,995 | 51 | 267 | 268 | null | null | 0.0543 | null | null | 0.1759 | null | null | null | null | null | null | null | null | null | has coordinates | Potts, Graham D.; Jones, W.
9(10H)-Acridone
Acta Crystallographica Section C
51
(1995)
267-268 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,459 | 11.061 | 0.001 | 12.171 | 0.001 | 14.334 | 0.002 | 95.2 | 0.008 | 92.094 | 0.009 | 105.191 | 0.008 | 1,851 | 0.4 | 298 | null | 298 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C43 H37 Br P2 Pd - | - C43 H37 Br P2 Pd - | - C86 H74 Br2 P4 Pd2 - | 2 | 1 | Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W. | trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults | Acta Crystallographica Section C | 1,995 | 51 | 208 | 210 | null | null | 0.051 | null | null | 0.054 | null | null | null | null | null | null | null | 2,003,201 | null | has coordinates | Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W.
trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults
Acta Crystallographica Section C
51
(1995)
208-210 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010459.cif $
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4,321,739 | 8.9783 | 0.0015 | 9.0136 | 0.0015 | 11.48 | 0.003 | 86.059 | 0.018 | 84.022 | 0.017 | 68.483 | 0.012 | 859.1 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | 1-methylimidazole-chlorocobaloxime | trans-bis(Dimethylglyoximato)-chloro-1-methylimidazole-cobalt(iii) | - C12 H20 Cl Co N6 O4 - | - C12 H20 Cl Co N6 O4 - | - C24 H40 Cl2 Co2 N12 O8 - | 2 | 1 | Scott J. Moore; Rene J. Lachicotte; Sharon T. Sullivan; Luigi G. Marzilli | Use of 13C-1H NMR Coupling Constants To Assess the Binding of Imidazole Ring Ligands to Metals | Inorganic Chemistry | 1,999 | 38 | 383 | 390 | 10.1021/ic980519k | 0.71073 | MoKα | 0.0454 | 0.041 | null | null | 0.1318 | 0.1378 | null | null | null | null | null | 1.166 | null | null | has coordinates | Scott J. Moore; Rene J. Lachicotte; Sharon T. Sullivan; Luigi G. Marzilli
Use of 13C-1H NMR Coupling Constants To Assess the Binding of Imidazole Ring Ligands to Metals
Inorganic Chemistry
38
(1999)
383-390 | 179,320 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179320 $
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2,010,460 | 11.0691 | 0.0004 | 12.1779 | 0.0011 | 14.338 | 0.0007 | 95.161 | 0.006 | 92.072 | 0.004 | 105.199 | 0.006 | 1,854 | 0.2 | 299 | null | 299 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C43 H37 Br P2 Pd - | - C43 H37 Br P2 Pd - | - C86 H74 Br2 P4 Pd2 - | 2 | 1 | Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W. | trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults | Acta Crystallographica Section C | 1,995 | 51 | 208 | 210 | null | null | 0.06 | null | null | 0.095 | null | null | null | null | null | null | null | 2,003,202 | null | has coordinates | Cross, Ronald J.; Kennedy, Alan R.; Muir, Kenneth W.
trans-Bromo(o-tolyl)bis(triphenylphosphine)palladium(II) from Crystals With and Without Stacking Faults
Acta Crystallographica Section C
51
(1995)
208-210 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010460.cif $
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2,010,461 | 13.8 | 0.006 | 7.406 | 0.001 | 16.114 | 0.003 | 90 | null | 106.04 | 0.02 | 90 | null | 1,582.8 | 0.8 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H19 N4 O2 S2 - | - C15 H16 N4 O2 S2 - | - C60 H64 N16 O8 S8 - | 4 | 1 | HR1001 | Shin, Whanchul; Lim, Byung Chul | Thiamin Thiothiazolone Acetone Solvate, C~12~H~16~N~4~OS~2~.0.5C~3~H~6~O | Acta Crystallographica Section C | 1,995 | 51 | 2 | 315 | 318 | 10.1107/S0108270194003811 | 1.5418 | CuKα | null | 0.052 | null | null | 0.058 | null | null | null | null | 0.882 | 0.882 | null | null | null | has coordinates | Shin, Whanchul; Lim, Byung Chul
Thiamin Thiothiazolone Acetone Solvate, C~12~H~16~N~4~OS~2~.0.5C~3~H~6~O
Acta Crystallographica Section C
51(2)
(1995)
315-318 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,462 | 7.057 | 0.002 | 16.595 | 0.004 | 15.192 | 0.005 | 90 | null | 100.01 | 0.02 | 90 | null | 1,752.1 | 0.9 | 294 | 1 | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C8 H14 Cd I4 N2 - | - C8 H14 Cd I4 N2 - | - C32 H56 Cd4 I16 N8 - | 4 | 1 | HR1003 | Bailey, R.D.; Pennington, W.T. | Anhydrous 2,3,5,6-Tetramethylpyrazinium Tetraiodocadmate(II) and its Trihydrate, [C~8~H~12~N~2~(H)~2~][CdI~4~].<i>x</i>H~2~O (<i>x</i> = 0, 3) | Acta Crystallographica Section C | 1,995 | 51 | 2 | 226 | 229 | 10.1107/S0108270194005147 | 0.71073 | MoKα | null | 0.0559 | null | null | 0.075 | null | null | null | null | 2.14 | 2.14 | null | null | null | has coordinates | Bailey, R.D.; Pennington, W.T.
Anhydrous 2,3,5,6-Tetramethylpyrazinium Tetraiodocadmate(II) and its Trihydrate, [C~8~H~12~N~2~(H)~2~][CdI~4~].<i>x</i>H~2~O (<i>x</i> = 0, 3)
Acta Crystallographica Section C
51(2)
(1995)
226-229 | 194,538 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-03-27 08:13:23 +0300 (Mon, 27 Mar 2017) $
#$Revision: 194538 $
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2,010,463 | 8.549 | 0.002 | 17.564 | 0.005 | 14.401 | 0.003 | 90 | null | 105.35 | 0.02 | 90 | null | 2,085.2 | 0.9 | 294 | 1 | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C8 H20 Cd I4 N2 O3 - | - C12 H30 Cd1.5 I6 N3 O4.5 - | - C48 H120 Cd6 I24 N12 O18 - | 4 | 1 | HR1003 | Bailey, R.D.; Pennington, W.T. | Anhydrous 2,3,5,6-Tetramethylpyrazinium Tetraiodocadmate(II) and its Trihydrate, [C~8~H~12~N~2~(H)~2~][CdI~4~].<i>x</i>H~2~O (<i>x</i> = 0, 3) | Acta Crystallographica Section C | 1,995 | 51 | 2 | 226 | 229 | 10.1107/S0108270194005147 | 0.71073 | MoKα | null | 0.0677 | null | null | 0.09 | null | null | null | null | 2.5 | 2.5 | null | null | null | has coordinates | Bailey, R.D.; Pennington, W.T.
Anhydrous 2,3,5,6-Tetramethylpyrazinium Tetraiodocadmate(II) and its Trihydrate, [C~8~H~12~N~2~(H)~2~][CdI~4~].<i>x</i>H~2~O (<i>x</i> = 0, 3)
Acta Crystallographica Section C
51(2)
(1995)
226-229 | 194,538 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-03-27 08:13:23 +0300 (Mon, 27 Mar 2017) $
#$Revision: 194538 $
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2,010,464 | 9.446 | 0.001 | 10.817 | 0.003 | 15.1 | 0.002 | 90 | null | 101.16 | 0.01 | 90 | null | 1,513.7 | 0.5 | 247 | null | 247 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C14 H20 N2 O4 - | - C14 H20 N2 O4 - | - C56 H80 N8 O16 - | 4 | 1 | Numan, Milco; Schenk, Henk; Döpp, Dietrich | 1,5-bis-Di-tert-butyl-2,4-dinitrobenzene, C~14~H~20~N~2~O~4~ | Acta Crystallographica Section C | 1,995 | 51 | 260 | 262 | null | null | 0.07 | null | null | 0.087 | null | null | null | null | null | null | null | 2,003,203 | null | has coordinates | Numan, Milco; Schenk, Henk; Döpp, Dietrich
1,5-bis-Di-tert-butyl-2,4-dinitrobenzene, C~14~H~20~N~2~O~4~
Acta Crystallographica Section C
51
(1995)
260-262 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
#$Revision: 287519 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010464.cif $
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4,321,738 | 9.8297 | 0.0001 | 11.1519 | 0.0001 | 16.1352 | 0.0002 | 90 | null | 90 | null | 90 | null | 1,768.74 | 0.03 | 183 | 2 | 183 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | 1-methylimidazole-cyanomethylcobaloxime | trans-bis(Dimethylglyoximato)-cyanomethyl-1-methylimidazole-cobalt(iii) | - C14 H22 Co N7 O4 - | - C14 H22 Co N7 O4 - | - C56 H88 Co4 N28 O16 - | 4 | 1 | Scott J. Moore; Rene J. Lachicotte; Sharon T. Sullivan; Luigi G. Marzilli | Use of 13C-1H NMR Coupling Constants To Assess the Binding of Imidazole Ring Ligands to Metals | Inorganic Chemistry | 1,999 | 38 | 383 | 390 | 10.1021/ic980519k | 0.71073 | MoKα | 0.0304 | 0.0272 | null | 0.0724 | 0.071 | null | null | null | 0.86 | 0.879 | 0.879 | null | null | null | has coordinates | Scott J. Moore; Rene J. Lachicotte; Sharon T. Sullivan; Luigi G. Marzilli
Use of 13C-1H NMR Coupling Constants To Assess the Binding of Imidazole Ring Ligands to Metals
Inorganic Chemistry
38
(1999)
383-390 | 179,320 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179320 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/17/4321738.cif $
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2,010,465 | 12.176 | 0.004 | 20.336 | 0.003 | 27.728 | 0.007 | 90 | null | 90 | null | 90 | null | 6,866 | 3 | 298 | null | null | null | null | null | null | null | 6 | P b c a | -P 2ac 2ab | 61 | - C38 H34 O3 P2 S W - | - C38 H34 O3 P2 S W - | - C304 H272 O24 P16 S8 W8 - | 8 | 1 | HR1013 | Wang, H.-E.; Cheng, M.-C.; Peng, S.-M.; Liu, S.-T. | {2,2-Bis[(diphenylphosphino)methyl]-1-phenyl-thiopropane-<i>P</i>,<i>P</i>',<i>S</i>}tricarbonyltungsten(0) | Acta Crystallographica Section C | 1,995 | 51 | 2 | 198 | 200 | 10.1107/S0108270194007882 | 0.7107 | MoKα | null | 0.024 | null | null | 0.017 | null | null | null | null | 1.5 | 1.5 | null | null | null | has coordinates | Wang, H.-E.; Cheng, M.-C.; Peng, S.-M.; Liu, S.-T.
{2,2-Bis[(diphenylphosphino)methyl]-1-phenyl-thiopropane-<i>P</i>,<i>P</i>',<i>S</i>}tricarbonyltungsten(0)
Acta Crystallographica Section C
51(2)
(1995)
198-200 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,466 | 11.453 | 0.002 | 12.119 | 0.002 | 17.444 | 0.004 | 90 | null | 90 | null | 90 | null | 2,421.2 | 0.8 | 295 | 2 | 295 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C12 H10 Cd N2 O5 - | - C12 H10 Cd N2 O5 - | - C96 H80 Cd8 N16 O40 - | 8 | 1 | Clegg, William; Cressey, Jonathan T.; McCamley, Andrew; Straughan, Brian P. | The Polymeric Structure of Aquacadmium Bisnicotinate | Acta Crystallographica Section C | 1,995 | 51 | 234 | 235 | null | null | 0.0207 | null | null | 0.0531 | null | null | null | null | null | null | null | null | null | has coordinates | Clegg, William; Cressey, Jonathan T.; McCamley, Andrew; Straughan, Brian P.
The Polymeric Structure of Aquacadmium Bisnicotinate
Acta Crystallographica Section C
51
(1995)
234-235 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
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2,010,467 | 8.184 | 0.005 | 12.363 | 0.004 | 7.101 | 0.002 | 94.93 | 0.03 | 94 | 0.04 | 77.34 | 0.04 | 697.5 | 0.5 | 296 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C8 H14 Cl2 N6 O2 Zn - | - C8 H14 Cl2 N6 O2 Zn - | - C16 H28 Cl4 N12 O4 Zn2 - | 2 | 1 | HU1081 | Okabe, N.; Kohyama, Y.; Ikeda, K. | A Zinc(II) Complex of Creatinine | Acta Crystallographica Section C | 1,995 | 51 | 2 | 222 | 224 | 10.1107/S0108270194010036 | 0.71069 | MoKα | null | 0.049 | null | null | 0.049 | null | null | null | null | 1.25 | 1.25 | null | null | null | has coordinates | Okabe, N.; Kohyama, Y.; Ikeda, K.
A Zinc(II) Complex of Creatinine
Acta Crystallographica Section C
51(2)
(1995)
222-224 | 278,247 | 2022-09-28 | 15:09:32 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
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2,010,468 | 8.568 | 0.002 | 12.697 | 0.002 | 7.1759 | 0.0006 | 101.3 | 0.01 | 107.17 | 0.01 | 73.3 | 0.01 | 709.1 | 0.2 | 296 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C8 H14 Cd Cl2 N6 O2 - | - C8 H14 Cd Cl2 N6 O2 - | - C16 H28 Cd2 Cl4 N12 O4 - | 2 | 1 | HU1089 | Okabe, N.; Ikeda, K.; Kohyama, Y.; Sasaki, Y. | Dichlorobis(creatinine)cadmium(II) | Acta Crystallographica Section C | 1,995 | 51 | 2 | 224 | 226 | 10.1107/S0108270194010048 | 0.71069 | MoKα | null | 0.022 | null | null | 0.03 | null | null | null | null | 1.27 | 1.27 | null | null | null | has coordinates | Okabe, N.; Ikeda, K.; Kohyama, Y.; Sasaki, Y.
Dichlorobis(creatinine)cadmium(II)
Acta Crystallographica Section C
51(2)
(1995)
224-226 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,010,469 | 21.728 | 0.009 | 12.624 | 0.006 | 13.838 | 0.007 | 90 | null | 113.8 | 0.04 | 90 | null | 3,473 | 3 | 293 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C24 H54 Cl4 P2 Pd2 - | - C28 H44 Cl4 P2 Pd2 - | - C112 H176 Cl16 P8 Pd8 - | 4 | 0.5 | HU1114 | Chaloner, P. A.; Dewa, S. Z.; Hitchcock, P. B. | <i>trans</i>-Di-μ-chloro-bis[chloro(tributylphosphine)palladium] | Acta Crystallographica Section C | 1,995 | 51 | 2 | 232 | 233 | 10.1107/S0108270194010255 | 0.71069 | MoKα | null | 0.035 | null | null | 0.046 | null | null | null | null | 1.4 | 1.4 | null | null | null | has coordinates | Chaloner, P. A.; Dewa, S. Z.; Hitchcock, P. B.
<i>trans</i>-Di-μ-chloro-bis[chloro(tributylphosphine)palladium]
Acta Crystallographica Section C
51(2)
(1995)
232-233 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
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2,010,470 | 11.118 | 0.002 | 6.167 | 0.003 | 12.296 | 0.002 | 90 | null | 107.28 | 0.02 | 90 | null | 805 | 0.4 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C8 H7 N O Se - | - C8 H7 N O Se - | - C32 H28 N4 O4 Se4 - | 4 | 1 | KA1040 | Piatek, M.; Oleksyn, B.; Sliwinski, J. | 2-Methyl-2<i>H</i>-1,2-benzisoselenazol-3-one | Acta Crystallographica Section C | 1,995 | 51 | 2 | 298 | 301 | 10.1107/S0108270193012983 | 1.5418 | CuKα | null | 0.033 | null | null | 0.047 | null | null | null | null | 1.204 | 1.204 | null | null | null | has coordinates | Piatek, M.; Oleksyn, B.; Sliwinski, J.
2-Methyl-2<i>H</i>-1,2-benzisoselenazol-3-one
Acta Crystallographica Section C
51(2)
(1995)
298-301 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/04/2010470.cif $
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4,321,737 | 9.1481 | 0.0001 | 11.4177 | 0.0002 | 16.2156 | 0.0001 | 90 | null | 96.78 | null | 90 | null | 1,681.88 | 0.04 | 183 | 2 | 183 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 1-methylimidazole-methylcobaloxime | trans-bis(Dimethylglyoximato)-methyl-1-methylimidazole-cobalt(iii) | - C13 H23 Co N6 O4 - | - C13 H23 Co N6 O4 - | - C52 H92 Co4 N24 O16 - | 4 | 1 | Scott J. Moore; Rene J. Lachicotte; Sharon T. Sullivan; Luigi G. Marzilli | Use of 13C-1H NMR Coupling Constants To Assess the Binding of Imidazole Ring Ligands to Metals | Inorganic Chemistry | 1,999 | 38 | 383 | 390 | 10.1021/ic980519k | 0.71073 | MoKα | 0.0528 | 0.0414 | null | 0.1094 | 0.1047 | null | null | null | 1.026 | 1.096 | 1.096 | null | null | null | has coordinates | Scott J. Moore; Rene J. Lachicotte; Sharon T. Sullivan; Luigi G. Marzilli
Use of 13C-1H NMR Coupling Constants To Assess the Binding of Imidazole Ring Ligands to Metals
Inorganic Chemistry
38
(1999)
383-390 | 179,320 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:16:56 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179320 $
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2,010,471 | 8.161 | 0.001 | 8.222 | 0.001 | 23.113 | 0.002 | 93.46 | 0.02 | 96.88 | 0.02 | 113.43 | 0.02 | 1,402.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | aurone | - C17 H13 N O4 - | - C17 H13 N O4 - | - C68 H52 N4 O16 - | 4 | 2 | B. Satish Goud; Kaliyamoorthy Panneerselvam; David E. Zacharias; Gautam R. Desiraju | 4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2H)-benzofuranone | Acta Crystallographica Section C | 1,995 | 51 | 265 | 267 | null | null | 0.0576 | null | null | 0.1494 | null | null | null | null | null | null | null | null | null | has coordinates | B. Satish Goud; Kaliyamoorthy Panneerselvam; David E. Zacharias; Gautam R. Desiraju
4,6-Dimethyl-2-(4-nitrobenzylidene)-3(2H)-benzofuranone
Acta Crystallographica Section C
51
(1995)
265-267 | 301,798 | 2025-08-19 | 6:41:46 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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