file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,000,667 | 8.501 | 0.001 | 8.59 | 0.001 | 10.854 | 0.002 | 84.54 | 0.02 | 82.1 | 0.02 | 84.73 | 0.02 | 779 | 0.2 | null | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C12 H19 Cu N2 O4 S - | - C12 H19 Cu N2 O4 S - | - C24 H38 Cu2 N4 O8 S2 - | 2 | 1 | LI0117 | Haanstra, W. G.; Driessen, W. L.; Reedijk, J.; Wood, J. S. | Structure of <i>catena</i>-poly-[{tetrakis-μ-(acetato-<i>O</i>:<i>O</i>')-dicopper(II)}-μ-{1,8-bis(3,5-dimethyl-1-pyrazolyl)-3,6-dithiaoctane-<i>N</i>^2^,<i>N</i>^2^'}] | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1405 | 1407 | 10.1107/S0108270192000362 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Haanstra, W. G.; Driessen, W. L.; Reedijk, J.; Wood, J. S.
Structure of <i>catena</i>-poly-[{tetrakis-μ-(acetato-<i>O</i>:<i>O</i>')-dicopper(II)}-μ-{1,8-bis(3,5-dimethyl-1-pyrazolyl)-3,6-dithiaoctane-<i>N</i>^2^,<i>N</i>^2^'}]
Acta Crystallographica Section C
48(8)
(1992)
1405-1407 | 208,360 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $
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2,000,668 | 9.802 | 0.002 | 13.288 | 0.002 | 22.686 | 0.003 | 88.69 | 0.01 | 89.29 | 0.02 | 82.4 | 0.02 | 2,928 | 0.8 | null | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C66 H54 Fe N6 O6 P3 - | - C66 H54 Fe N6 O6 P3 - | - C132 H108 Fe2 N12 O12 P6 - | 2 | 1 | MU0279 | Matt, D.; Lakkis, D.; Grandjean, D.; Balegroune, F.; Laidoudi, A. | Structure of tris(4-diphenylphosphinoyl-3-methyl-1-phenylpyrazol-5-onato-<i>O</i>,<i>O</i>')iron(III) | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1408 | 1411 | 10.1107/S0108270192000374 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Matt, D.; Lakkis, D.; Grandjean, D.; Balegroune, F.; Laidoudi, A.
Structure of tris(4-diphenylphosphinoyl-3-methyl-1-phenylpyrazol-5-onato-<i>O</i>,<i>O</i>')iron(III)
Acta Crystallographica Section C
48(8)
(1992)
1408-1411 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,805 | 6.253 | 0.0002 | 14.4187 | 0.0005 | 15.9581 | 0.0006 | 90 | null | 93.37 | 0.001 | 90 | null | 1,436.3 | 0.09 | 123 | 2 | 123 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C15 H15 N3 O4 - | - C15 H15 N3 O4 - | - C60 H60 N12 O16 - | 4 | 1 | Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J. | Anion directed supramolecular architecture of pyrazole based ionic salts | CrystEngComm | 2,011 | 13 | 12 | 4110 | 10.1039/c0ce00820f | 0.71073 | MoKα | 0.0498 | 0.0372 | null | null | 0.0939 | 0.1026 | null | null | null | null | null | 1.034 | null | null | has coordinates | Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.
Anion directed supramolecular architecture of pyrazole based ionic salts
CrystEngComm
13(12)
(2011)
4110 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
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2,000,669 | 9.3667 | 0.0008 | 13.689 | 0.002 | 23.042 | 0.002 | 90 | null | 90 | null | 90 | null | 2,954.5 | 0.6 | null | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | null | - C30 H32 O6 P2 Ru - | - C30 H32 O6 P2 Ru - | - C120 H128 O24 P8 Ru4 - | 4 | 1 | MU0244 | Blake, A. J.; Crook, J. R.; Mawby, R. J.; Reid, A. J.; Reynolds, C. D. | Structure of <i>cis</i>-dicarbonyl[2-carboxylato-1-methoxycarbonyl-2-(4-methylphenyl)vinyl]-<i>trans</i>-bis(dimethylphenylphosphine)ruthenium(II), a complex containing a bidentate vinyl ligand | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1411 | 1414 | 10.1107/S010827019200057X | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Blake, A. J.; Crook, J. R.; Mawby, R. J.; Reid, A. J.; Reynolds, C. D.
Structure of <i>cis</i>-dicarbonyl[2-carboxylato-1-methoxycarbonyl-2-(4-methylphenyl)vinyl]-<i>trans</i>-bis(dimethylphenylphosphine)ruthenium(II), a complex containing a bidentate vinyl ligand
Acta Crystallographica Section C
48(8)
(1992)
1411-1414 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/06/2000669.cif $
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2,000,670 | 32.017 | 0.009 | 23.557 | 0.007 | 7.933 | 0.003 | 90 | null | 90 | null | 90 | null | 5,983 | 3 | null | null | null | null | null | null | null | null | 6 | P b c a | -P 2ac 2ab | null | - C18 H34 N3 Nd O17 S3 - | - C18 H33 N3 Nd O17 S3 - | - C144 H264 N24 Nd8 O136 S24 - | 8 | 1 | MU0260 | Starynowicz, P. | Structure of bis(4-aminobenzenesulfonato-<i>O</i>)heptaaquaneodymium 4-aminobenzenesulfonate hydrate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1414 | 1416 | 10.1107/S0108270192000593 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Starynowicz, P.
Structure of bis(4-aminobenzenesulfonato-<i>O</i>)heptaaquaneodymium 4-aminobenzenesulfonate hydrate
Acta Crystallographica Section C
48(8)
(1992)
1414-1416 | 191,087 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-30 15:01:12 +0200 (Mon, 30 Jan 2017) $
#$Revision: 191087 $
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7,205,804 | 16.115 | 0.003 | 18.888 | 0.004 | 4.9329 | 0.0012 | 90 | null | 90 | null | 90 | null | 1,501.5 | 0.6 | 123 | 2 | 123 | 2 | null | null | null | null | 5 | P 21 21 2 | P 2 2ab | 18 | - C15 H15 N2 O4 P - | - C15 H15 N2 O4 P - | - C60 H60 N8 O16 P4 - | 4 | 1 | Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J. | Anion directed supramolecular architecture of pyrazole based ionic salts | CrystEngComm | 2,011 | 13 | 12 | 4110 | 10.1039/c0ce00820f | 0.71073 | MoKα | 0.0455 | 0.0356 | null | null | 0.0802 | 0.0854 | null | null | null | null | null | 1.037 | null | null | has coordinates,has disorder | Singh, Udai P.; Kashyap, Sujata; Singh, Hari Ji; Butcher, Ray J.
Anion directed supramolecular architecture of pyrazole based ionic salts
CrystEngComm
13(12)
(2011)
4110 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
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2,000,671 | 8.924 | 0.004 | 18.467 | 0.005 | 22.165 | 0.003 | 91.42 | 0.02 | 92.36 | 0.02 | 92.21 | 0.03 | 3,646 | 2 | null | null | null | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C50 H114 B18 Li2 O3 Sc2 Si4 - | - C50 H114 B18 Li2 O3 Sc2 Si4 - | - C100 H228 B36 Li4 O6 Sc4 Si8 - | 2 | 1 | HH0559 | Marsh, R. E.; Schaefer, W. P.; Bazan, G. C.; Bercaw, J. E. | A permethylcyclopentadienyl carbollide scandium complex, Sc~2~Si~4~O~3~C~50~B~18~Li~2~H~114~ | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1416 | 1419 | 10.1107/S0108270192000714 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Marsh, R. E.; Schaefer, W. P.; Bazan, G. C.; Bercaw, J. E.
A permethylcyclopentadienyl carbollide scandium complex, Sc~2~Si~4~O~3~C~50~B~18~Li~2~H~114~
Acta Crystallographica Section C
48(8)
(1992)
1416-1419 | 206,333 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-02-09 13:11:21 +0200 (Fri, 09 Feb 2018) $
#$Revision: 206333 $
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2,000,672 | 18.172 | 0.002 | 17.95 | 0.003 | 12.086 | 0.004 | 90 | null | 90 | null | 90 | null | 3,942.3 | 1.5 | null | null | null | null | null | null | null | null | 6 | P n m a | -P 2ac 2n | 62 | - C35 H28 Cl3 N9 O12 Pt2 - | - C35 H31 Cl3 N9 O15 Pt2 - | - C140 H124 Cl12 N36 O60 Pt8 - | 4 | 0.5 | HH0585 | Bailey, J. A.; Gray, H. B. | A μ-pyrazolyl terpyridineplatinum(II) dimer | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1420 | 1422 | 10.1107/S010827019200074X | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Bailey, J. A.; Gray, H. B.
A μ-pyrazolyl terpyridineplatinum(II) dimer
Acta Crystallographica Section C
48(8)
(1992)
1420-1422 | 278,244 | 2022-09-28 | 13:56:22 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $
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2,000,673 | 7.901 | 0.001 | 10.147 | 0.001 | 11.37 | 0.002 | 90 | null | 93.6 | 0.01 | 90 | null | 909.8 | 0.2 | null | null | null | null | null | null | null | null | 6 | P 1 21 1 | null | - C19 H14 N O2 S2 Tc - | - C19 H14 N O2 S2 Tc - | - C38 H28 N2 O4 S4 Tc2 - | 2 | 1 | SE0080 | Bandoli, G.; Mazzi, U.; Pietzsch, H.-J.; Spies, H. | Structure of (benzenethiolato)oxo[<i>N</i>-(2-sulfidophenyl)salicylideneiminato(2-)-<i>O</i>,<i>N</i>,<i>S</i>]technetium(V) | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1422 | 1425 | 10.1107/S0108270191014798 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Bandoli, G.; Mazzi, U.; Pietzsch, H.-J.; Spies, H.
Structure of (benzenethiolato)oxo[<i>N</i>-(2-sulfidophenyl)salicylideneiminato(2-)-<i>O</i>,<i>N</i>,<i>S</i>]technetium(V)
Acta Crystallographica Section C
48(8)
(1992)
1422-1425 | 189,098 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-12-13 12:43:56 +0200 (Tue, 13 Dec 2016) $
#$Revision: 189098 $
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2,000,674 | 7.914 | 0.002 | 30.983 | 0.003 | 6.629 | 0.001 | 90 | null | 102.38 | 0.01 | 90 | null | 1,587.6 | 0.5 | null | null | null | null | null | null | null | null | 4 | P 1 21/m 1 | null | - C38 H25 Fe N8 - | - C38 H25 Fe N8 - | - C76 H50 Fe2 N16 - | 2 | 0.5 | PA0263 | Bravic, G.; Gaultier, J.; Chasseau, D.; Lequan, R. M.; Lequan, M. | Structure of (η^5^-cyclopentadienyl)(η^6^-1,3,5-trimethylbenzene)iron-7,7,8,8-tetracyano-<i>p</i>-quinodimethane (1/2) | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1425 | 1428 | 10.1107/S0108270192000532 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Bravic, G.; Gaultier, J.; Chasseau, D.; Lequan, R. M.; Lequan, M.
Structure of (η^5^-cyclopentadienyl)(η^6^-1,3,5-trimethylbenzene)iron-7,7,8,8-tetracyano-<i>p</i>-quinodimethane (1/2)
Acta Crystallographica Section C
48(8)
(1992)
1425-1428 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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7,205,803 | 9.7106 | 0.0002 | 19.4586 | 0.0004 | 11.009 | 0.0002 | 90 | null | 113.827 | 0.001 | 90 | null | 1,902.91 | 0.07 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C12 H33 Cl3 N4 O4 - | - C12 H33 Cl3 N4 O4 - | - C48 H132 Cl12 N16 O16 - | 4 | 1 | Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca | A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles | CrystEngComm | 2,011 | 13 | 7 | 2346 | 10.1039/c0ce00814a | 0.71073 | MoKα | 0.0474 | 0.038 | null | null | 0.0757 | 0.0807 | null | null | null | null | null | 1.079 | null | null | has coordinates | Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca
A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles
CrystEngComm
13(7)
(2011)
2346 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
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2,000,675 | 20.435 | 0.011 | 20.435 | 0.011 | 20.435 | 0.011 | 90 | null | 90 | null | 90 | null | 8,533 | 8 | null | null | null | null | null | null | null | null | 6 | P a -3 | -P 2ac 2ab 3 | null | - C7 H11 Cl N Nd O12 - | - C7 H9 Cl1.16667 N Nd O16 - | - C168 H216 Cl28 N24 Nd24 O384 - | 24 | 1 | MU0259 | Starynowicz, P. | Structure of tetraaqua(2,6-pyridinedicarboxylato)neodymium perchlorate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1428 | 1430 | 10.1107/S010827019200060X | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Starynowicz, P.
Structure of tetraaqua(2,6-pyridinedicarboxylato)neodymium perchlorate
Acta Crystallographica Section C
48(8)
(1992)
1428-1430 | 191,087 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-30 15:01:12 +0200 (Mon, 30 Jan 2017) $
#$Revision: 191087 $
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2,000,676 | 9.608 | 0.002 | 10.034 | 0.002 | 7.033 | 0.001 | 94.29 | 0.01 | 96.95 | 0.01 | 64.52 | 0.01 | 607.4 | 0.2 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C14 H28 Li4 O20 - | - C14 H28 Li4 O20 - | - C14 H28 Li4 O20 - | 1 | 0.5 | ST0556 | Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E. | Structure of tetralithium 1,4,5,8-naphthalenetetracarboxylate dodecahydrate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1430 | 1434 | 10.1107/S0108270192000428 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Fitzgerald, L. J.; Gallucci, J. C.; Gerkin, R. E.
Structure of tetralithium 1,4,5,8-naphthalenetetracarboxylate dodecahydrate
Acta Crystallographica Section C
48(8)
(1992)
1430-1434 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,000,677 | 14.318 | 0.002 | 16.427 | 0.002 | 16.299 | 0.002 | 90 | null | 100.01 | 0.01 | 90 | null | 3,775.2 | 0.8 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C22 H22 Cu N4 - | - C22 H22 Cu N4 - | - C176 H176 Cu8 N32 - | 8 | 2 | HH0609 | Cotton, F. A.; Czuchajowska-Wiesinger, J. | The structure of copper(II) 5,7,12,14-tetramethyldibenzo[<i>b</i>,<i>i</i>][1,4,8,11]tetraazacyclotetradeca-2,4,7,9,11,14-hexaenediide | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1434 | 1437 | 10.1107/S0108270192000726 | 1.54183 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Cotton, F. A.; Czuchajowska-Wiesinger, J.
The structure of copper(II) 5,7,12,14-tetramethyldibenzo[<i>b</i>,<i>i</i>][1,4,8,11]tetraazacyclotetradeca-2,4,7,9,11,14-hexaenediide
Acta Crystallographica Section C
48(8)
(1992)
1434-1437 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,678 | 13.592 | 0.003 | 11.46 | 0.003 | 25.751 | 0.009 | 90 | null | 101.08 | 0.02 | 90 | null | 3,936.3 | 1.9 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | 3,5-dimethyl-1,2-tellurazole | - C5 H7 N Te - | - C5 H7 N Te - | - C120 H168 N24 Te24 - | 24 | 6 | GE0290 | De Munno, G.; Lucchesini, F. | Structure of 3,5-dimethyl-1,2-tellurazole | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1437 | 1439 | 10.1107/S0108270191014907 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | De Munno, G.; Lucchesini, F.
Structure of 3,5-dimethyl-1,2-tellurazole
Acta Crystallographica Section C
48(8)
(1992)
1437-1439 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,679 | 12.529 | 0.001 | 13.068 | 0.001 | 15.815 | 0.001 | 90 | null | 93.58 | 0.01 | 90 | null | 2,584.3 | 0.3 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C28 H40 N4 O2 - | - C28 H40 N4 O2 - | - C112 H160 N16 O8 - | 4 | 1 | AL0518 | Venkatasubramanian, K.; Paul, P.; Nanda, K. K.; Adhikary, B.; Nag, K. | Structure of a tetratertiaryamino-diphenolato macrocyclic ligand | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1440 | 1442 | 10.1107/S0108270191014993 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Venkatasubramanian, K.; Paul, P.; Nanda, K. K.; Adhikary, B.; Nag, K.
Structure of a tetratertiaryamino-diphenolato macrocyclic ligand
Acta Crystallographica Section C
48(8)
(1992)
1440-1442 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,205,802 | 10.1087 | 0.0006 | 10.8879 | 0.0004 | 14.367 | 0.001 | 98.432 | 0.003 | 94.188 | 0.003 | 116.888 | 0.003 | 1,377.57 | 0.14 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C19 H28 Cl6 N2 O7 - | - C19 H28 Cl6 N2 O7 - | - C38 H56 Cl12 N4 O14 - | 2 | 1 | Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca | A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles | CrystEngComm | 2,011 | 13 | 7 | 2346 | 10.1039/c0ce00814a | 0.71073 | MoKα | 0.1152 | 0.0605 | null | null | 0.1637 | 0.2061 | null | null | null | null | null | 1.041 | null | null | has coordinates | Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca
A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles
CrystEngComm
13(7)
(2011)
2346 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
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2,000,680 | 10.496 | 0.003 | 17.305 | 0.004 | 7.5 | 0.002 | 90 | null | 128.94 | 0.02 | 90 | null | 1,059.6 | 0.6 | null | null | null | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | null | - C9 H18 O3 - | - C9 H18 O3 - | - C36 H72 O12 - | 4 | 0.5 | HH0569 | Romero, R. R.; Cervantes-Lee, F.; Porter, L. C. | Structure of 2,6-dihydroxy-2,6-dimethylheptan-4-one | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1442 | 1444 | 10.1107/S0108270191014853 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Romero, R. R.; Cervantes-Lee, F.; Porter, L. C.
Structure of 2,6-dihydroxy-2,6-dimethylheptan-4-one
Acta Crystallographica Section C
48(8)
(1992)
1442-1444 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,681 | 23.671 | 0.006 | 5.48 | 0.001 | 20.644 | 0.008 | 90 | null | 123.82 | 0.02 | 90 | null | 2,224.8 | 1.2 | null | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C10 H9 Cl N2 O S - | - C10 H9 Cl N2 O S - | - C80 H72 Cl8 N16 O8 S8 - | 8 | 1 | HE0045 | Beddoes, R. L.; Kearney, T.; Jackson, A.; Joule, J. A. | Structure of 5-chloro-2-methylthio-3<i>H</i>-indol-3-one 3-oxime <i>O</i>-methyl ether | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1444 | 1446 | 10.1107/S0108270191015093 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Beddoes, R. L.; Kearney, T.; Jackson, A.; Joule, J. A.
Structure of 5-chloro-2-methylthio-3<i>H</i>-indol-3-one 3-oxime <i>O</i>-methyl ether
Acta Crystallographica Section C
48(8)
(1992)
1444-1446 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,682 | 9.829 | 0.001 | 13.29 | 0.002 | 18.864 | 0.003 | 90 | null | 90 | null | 90 | null | 2,464.2 | 0.6 | null | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | null | - C24 H24 N6 O4 S2 - | - C24 H24 N6 O4 S2 - | - C96 H96 N24 O16 S8 - | 4 | 1 | HH0557 | Shin, W.; Kim, Joonyeong | Structure of diphenylmethyl 7β-amino-7α-methoxy-3-[(1-methyl-1<i>H</i>-tetrazol-5-ylthio)methyl]-3-cephem-4-carboxylate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1451 | 1453 | 10.1107/S0108270192000489 | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Shin, W.; Kim, Joonyeong
Structure of diphenylmethyl 7β-amino-7α-methoxy-3-[(1-methyl-1<i>H</i>-tetrazol-5-ylthio)methyl]-3-cephem-4-carboxylate
Acta Crystallographica Section C
48(8)
(1992)
1451-1453 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,683 | 11.038 | 0.005 | 11.211 | 0.006 | 14.436 | 0.008 | 90 | null | 90 | null | 90 | null | 1,786.4 | 1.6 | null | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | null | - C16 H19 N3 O6 S - | - C16 N3 O6 S - | - C64 N12 O24 S4 - | 4 | 1 | HH0558 | Shin, W.; Cho, S. W. | Structure of cefadroxil monohydrate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1454 | 1456 | 10.1107/S0108270192000490 | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Shin, W.; Cho, S. W.
Structure of cefadroxil monohydrate
Acta Crystallographica Section C
48(8)
(1992)
1454-1456 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,000,684 | 22.04 | 0.005 | 10.295 | 0.004 | 11.827 | 0.003 | 90 | null | 120.57 | 0.02 | 90 | null | 2,310.6 | 1.3 | null | null | null | null | null | null | null | null | 5 | C 1 2/m 1 | null | - C42 H48 Cl2 O14 S6 - | - C42 H48 Cl2 O14 S6 - | - C84 H96 Cl4 O28 S12 - | 2 | 0.25 | AB0262 | Noreland, J.; Olovsson, G.; Olovsson, I. | Structure of the organic semiconducting radical cation salt tris[2,6-dimethoxy-3,7-bis(methylthio)naphthalene] diperchlorate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1459 | 1462 | 10.1107/S0108270192000027 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Noreland, J.; Olovsson, G.; Olovsson, I.
Structure of the organic semiconducting radical cation salt tris[2,6-dimethoxy-3,7-bis(methylthio)naphthalene] diperchlorate
Acta Crystallographica Section C
48(8)
(1992)
1459-1462 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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7,205,801 | 9.1761 | 0.0003 | 11.7881 | 0.0007 | 11.8683 | 0.0007 | 103.977 | 0.002 | 97.401 | 0.003 | 94.414 | 0.003 | 1,227.58 | 0.11 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C25 H34 N2 O9 - | - C25 H34 N2 O9 - | - C50 H68 N4 O18 - | 2 | 1 | Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca | A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles | CrystEngComm | 2,011 | 13 | 7 | 2346 | 10.1039/c0ce00814a | 0.71073 | MoKα | 0.1154 | 0.0531 | null | null | 0.1226 | 0.1717 | null | null | null | null | null | 0.993 | null | null | has coordinates | Brelot, Lydia; Cao, Xiao-yu; Harrowfield, Jack; Lehn, Jean-Marie; Rissanen, Kari; Russo, Luca
A new hydrogen bonding motif involved in self-recognition in the solid state by functionalised macrocycles
CrystEngComm
13(7)
(2011)
2346 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,000,685 | 25.01 | 0.002 | 6.144 | 0.001 | 8.169 | 0.001 | 90 | null | 93.3 | 0.02 | 90 | null | 1,253.2 | 0.3 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1-[(benzyloxycarbonyl)amino]cyclopropane-1-carbohydroxamic acid | - C12 H14 N2 O4 - | - C12 H14 N2 O4 - | - C48 H56 N8 O16 - | 4 | 1 | GE0293 | Busetti, V.; Crisma, M.; Toniolo, C. | Structure of 1-[(benzyloxycarbonyl)amino]cyclopropane-1-carbohydroxamic acid | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1464 | 1466 | 10.1107/S0108270192000763 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Busetti, V.; Crisma, M.; Toniolo, C.
Structure of 1-[(benzyloxycarbonyl)amino]cyclopropane-1-carbohydroxamic acid
Acta Crystallographica Section C
48(8)
(1992)
1464-1466 | 206,335 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-02-09 13:26:18 +0200 (Fri, 09 Feb 2018) $
#$Revision: 206335 $
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2,000,686 | 10.673 | 0.003 | 15.776 | 0.003 | 16.103 | 0.004 | 122.77 | 0.02 | 110.09 | 0.02 | 68.13 | 0.02 | 2,080.5 | 1 | null | null | null | null | null | null | null | null | 3 | P 1 | P 1 | 1 | - C67 H120 O38 - | - C68 H110 O39 - | - C68 H110 O39 - | 1 | 1 | PA0255 | Rysanek, N.; Le Bas, G.; Villain, F.; Tsoucaris, G. | Structure of the (1:1:1) complex 2<i>a</i>,2<i>b</i>,2<i>c</i>,2<i>d</i>,2<i>e</i>,2<i>f</i>,3<i>a</i>,3<i>g</i>,6<i>a</i>,6<i>b</i>,6<i>c</i>,6<i>d</i>,6<i>e</i>,6<i>f</i>,6<i>g</i>-pentadeca-<i>O</i>-methyl-β-cyclodextrin-1,7-dioxaspiro[5.5]undecane-methanol | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1466 | 1471 | 10.1107/S0108270192000520 | 1.54056 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Rysanek, N.; Le Bas, G.; Villain, F.; Tsoucaris, G.
Structure of the (1:1:1) complex 2<i>a</i>,2<i>b</i>,2<i>c</i>,2<i>d</i>,2<i>e</i>,2<i>f</i>,3<i>a</i>,3<i>g</i>,6<i>a</i>,6<i>b</i>,6<i>c</i>,6<i>d</i>,6<i>e</i>,6<i>f</i>,6<i>g</i>-pentadeca-<i>O</i>-methyl-β-cyclodextrin-1,7-dioxaspiro[5.5]undecane-methanol
Acta Cr... | 278,201 | 2022-09-27 | 0:27:37 | #------------------------------------------------------------------------------
#$Date: 2022-09-27 03:27:33 +0300 (Tue, 27 Sep 2022) $
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2,000,687 | 15.809 | 0.004 | 12.207 | 0.002 | 19.772 | 0.005 | 90 | null | 90 | null | 90 | null | 3,815.6 | 1.5 | null | null | null | null | null | null | null | null | 6 | P b c a | null | - C21 H18 Cl N3 O S - | - C21 H18 Cl N3 O S - | - C168 H144 Cl8 N24 O8 S8 - | 8 | 1 | HU0407 | Cheung, K.-K.; Echevarria, A.; Galembeck, S.; Maciel, M. A. M.; Miller, J.; Rumjanek, V. M.; Simas, A. M. | Mesoionic compounds. 3. Structure of the hydrochloride of 5(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazolium-2-phenylaminide | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1471 | 1474 | 10.1107/S0108270192000283 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Cheung, K.-K.; Echevarria, A.; Galembeck, S.; Maciel, M. A. M.; Miller, J.; Rumjanek, V. M.; Simas, A. M.
Mesoionic compounds. 3. Structure of the hydrochloride of 5(4-methoxyphenyl)-4-phenyl-1,3,4-thiadiazolium-2-phenylaminide
Acta Crystallographica Section C
48(8)
(1992)
1471-1474 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,688 | 9.328 | 0.001 | 19.348 | 0.003 | 25.939 | 0.005 | 90 | null | 90 | null | 90 | null | 4,681.4 | 1.3 | null | null | null | null | null | null | null | null | 3 | P b c m | null | - C53 H68 O5 - | - C54 H47 O5 - | - C216 H188 O20 - | 4 | 0.5 | AS0555 | Armah, A. E.; Suzuki, K.; Fujii, S.; Tomita, K.; Asfari, Z.; Vicens, J. | Structure of <i>p</i>-<i>tert</i>-butylbishomooxacalix[4]arene-<i>m</i>-xylene (1:1) complex | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1474 | 1476 | 10.1107/S0108270192000179 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Armah, A. E.; Suzuki, K.; Fujii, S.; Tomita, K.; Asfari, Z.; Vicens, J.
Structure of <i>p</i>-<i>tert</i>-butylbishomooxacalix[4]arene-<i>m</i>-xylene (1:1) complex
Acta Crystallographica Section C
48(8)
(1992)
1474-1476 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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7,205,800 | 10.2479 | 0.0004 | 19.6937 | 0.0009 | 36.3999 | 0.0015 | 88.258 | 0.003 | 88.801 | 0.003 | 89.558 | 0.004 | 7,341 | 0.5 | 120 | 1 | 120 | 1 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C52 H39 Br2 Fe O13 S32 - | - C52 H39 Br2 Fe O13 S32 - | - C208 H156 Br8 Fe4 O52 S128 - | 4 | 2 | Zorina, Leokadiya V.; Khasanov, Salavat S.; Simonov, Sergey V.; Shibaeva, Rimma P.; Zverev, Vladimir N.; Canadell, Enric; Prokhorova, Tatiana G.; Yagubskii, Eduard B. | Coexistence of two donor packing motifs in the stable molecular metal α-‘pseudo-κ’-(BEDT-TTF)4(H3O)[Fe(C2O4)3]·C6H4Br2 | CrystEngComm | 2,011 | 13 | 7 | 2430 | 10.1039/c0ce00804d | 0.71073 | MoKα | 0.1195 | 0.0554 | null | null | 0.1067 | 0.1202 | null | null | null | null | null | 1 | null | null | has coordinates,has disorder | Zorina, Leokadiya V.; Khasanov, Salavat S.; Simonov, Sergey V.; Shibaeva, Rimma P.; Zverev, Vladimir N.; Canadell, Enric; Prokhorova, Tatiana G.; Yagubskii, Eduard B.
Coexistence of two donor packing motifs in the stable molecular metal α-‘pseudo-κ’-(BEDT-TTF)4(H3O)[Fe(C2O4)3]·C6H4Br2
CrystEngComm
13(7)
(2011)
2430 | 180,389 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $
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2,000,689 | 11.237 | 0.003 | 13.073 | 0.002 | 8.04 | 0.003 | 106.4 | 0.02 | 105.48 | 0.02 | 85.7 | 0.02 | 1,091.9 | 0.6 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | trimethylsilylethyl cis-4,5-dimethyl-1-(o-nitrobenzyl)-3-oxopyrazolidine-2-carboxylate | - C18 H27 N3 O5 Si - | - C18 H27 N3 O5 Si - | - C36 H54 N6 O10 Si2 - | 2 | 1 | HH0564 | Johnson, A. T.; Keszler, D. A.; Perri, S. T.; White, J. D. | Structure of a highly substituted pyrazolidin-3-one | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1476 | 1479 | 10.1107/S0108270192000519 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Johnson, A. T.; Keszler, D. A.; Perri, S. T.; White, J. D.
Structure of a highly substituted pyrazolidin-3-one
Acta Crystallographica Section C
48(8)
(1992)
1476-1479 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,690 | 23.866 | 0.011 | 9.571 | 0.005 | 6.686 | 0.003 | 90 | null | 90 | null | 90 | null | 1,527.2 | 1.3 | null | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C18 H15 N3 O4 - | - C18 H15 N3 O4 - | - C72 H60 N12 O16 - | 4 | 1 | GE0276 | Agmon, I.; Ashkenazi, P.; Kaftory, M. | Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1479 | 1484 | 10.1107/S0108270192001069 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Agmon, I.; Ashkenazi, P.; Kaftory, M.
Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione
Acta Crystallographica Section C
48(8)
(1992)
1479-1484 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,691 | 24.104 | 0.012 | 9.774 | 0.005 | 6.463 | 0.003 | 90 | null | 90 | null | 90 | null | 1,522.6 | 1.3 | null | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C18 H15 N3 O4 - | - C18 H15 N3 O4 - | - C72 H60 N12 O16 - | 4 | 1 | GE0276 | Agmon, I.; Ashkenazi, P.; Kaftory, M. | Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1479 | 1484 | 10.1107/S0108270192001069 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Agmon, I.; Ashkenazi, P.; Kaftory, M.
Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione
Acta Crystallographica Section C
48(8)
(1992)
1479-1484 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,692 | 13.096 | 0.006 | 12.653 | 0.006 | 10.696 | 0.005 | 90 | null | 90 | null | 90 | null | 1,772.4 | 1.4 | null | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C20 H19 N3 O4 - | - C20 H19 N3 O4 - | - C80 H76 N12 O16 - | 4 | 1 | GE0276 | Agmon, I.; Ashkenazi, P.; Kaftory, M. | Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1479 | 1484 | 10.1107/S0108270192001069 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Agmon, I.; Ashkenazi, P.; Kaftory, M.
Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione
Acta Crystallographica Section C
48(8)
(1992)
1479-1484 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,799 | 15.9164 | 0.0008 | 15.9164 | 0.0008 | 7.8769 | 0.0004 | 90 | null | 90 | null | 120 | null | 1,728.13 | 0.15 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P 62 | P 62 | 171 | solvated gamma-aminobutyric acid | solvated gamma-aminobutyric acid | - C8.2 H18 N2 O4.1 - | - C8.2 H18 N2 O4.1 - | - C49.2 H108 N12 O24.6 - | 6 | 1 | de Vries, Elise J. C.; Levendis, Demetrius C.; Reece, Hayley A. | A hexagonal solvate of the neurotransmitter γ-aminobutyric acid | CrystEngComm | 2,011 | 13 | 10 | 3334 | 10.1039/c0ce00803f | 0.71073 | MoKα | 0.1018 | 0.0542 | null | null | 0.1214 | 0.1396 | null | null | null | null | null | 1.008 | null | null | has coordinates,has disorder | de Vries, Elise J. C.; Levendis, Demetrius C.; Reece, Hayley A.
A hexagonal solvate of the neurotransmitter γ-aminobutyric acid
CrystEngComm
13(10)
(2011)
3334 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,693 | 26.724 | 0.013 | 11.985 | 0.006 | 11.453 | 0.006 | 90 | null | 99.96 | 0.02 | 90 | null | 3,613 | 3 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C20 H19 N3 O4 - | - C20 H19 N3 O4 - | - C160 H152 N24 O32 - | 8 | 2 | GE0276 | Agmon, I.; Ashkenazi, P.; Kaftory, M. | Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1479 | 1484 | 10.1107/S0108270192001069 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Agmon, I.; Ashkenazi, P.; Kaftory, M.
Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione
Acta Crystallographica Section C
48(8)
(1992)
1479-1484 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,694 | 13.474 | 0.007 | 11.422 | 0.006 | 11.534 | 0.006 | 90 | null | 97.73 | 0.02 | 90 | null | 1,759 | 1.6 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C20 H19 N3 O4 - | - C20 H19 N3 O4 - | - C80 H76 N12 O16 - | 4 | 1 | GE0276 | Agmon, I.; Ashkenazi, P.; Kaftory, M. | Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1479 | 1484 | 10.1107/S0108270192001069 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Agmon, I.; Ashkenazi, P.; Kaftory, M.
Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione
Acta Crystallographica Section C
48(8)
(1992)
1479-1484 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,695 | 14.586 | 0.0008 | 14.586 | 0.0008 | 52.351 | 0.004 | 90 | null | 90 | null | 120 | null | 9,645.6 | 1.1 | null | null | null | null | null | null | null | null | 6 | R -3 :H | -R 3 | 148 | - C72 H60 Au Cl O4 Sb4 - | - C72 H60 Au Cl O6 Sb4 - | - C432 H360 Au6 Cl6 O36 Sb24 - | 6 | 0.333333 | HA0090 | Jones, P. G. | Tetrakis(triphenylstibine)gold(I) perchlorate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1487 | 1488 | 10.1107/S0108270192000246 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.
Tetrakis(triphenylstibine)gold(I) perchlorate
Acta Crystallographica Section C
48(8)
(1992)
1487-1488 | 199,739 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-08-14 13:31:31 +0300 (Mon, 14 Aug 2017) $
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2,000,696 | 10.764 | 0.001 | 12.557 | 0.004 | 19.626 | 0.002 | 90 | null | 90 | null | 90 | null | 2,652.7 | 0.9 | null | null | null | null | null | null | null | null | 6 | P b c a | null | - C12 H17 Cl N2 O Pd - | - C12 H17 Cl N2 O Pd - | - C96 H136 Cl8 N16 O8 Pd8 - | 8 | 1 | AS0592 | Cho, I.; Yeo, H.; Whang, D.; Kim, K. | Structure of chloro[<i>N</i>-(3-dimethylamino-1-propyl)salicylideneaminato]palladium(II) | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1488 | 1489 | 10.1107/S0108270192002543 | 0.7093 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Cho, I.; Yeo, H.; Whang, D.; Kim, K.
Structure of chloro[<i>N</i>-(3-dimethylamino-1-propyl)salicylideneaminato]palladium(II)
Acta Crystallographica Section C
48(8)
(1992)
1488-1489 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,000,697 | 15.67 | 0.02 | 13.54 | 0.02 | 13.24 | 0.02 | 90 | null | 127.9 | 0.2 | 90 | null | 2,217 | 8 | null | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C8 H20 Cl10 N2 Sn - | - C8 H20 Cl10 N2 Sn - | - C32 H80 Cl40 N8 Sn4 - | 4 | 0.5 | HH0578 | Kane, C. J.; Long, R.; Pettit, W. E.; Breneman, G. L.; Pettit, G. R. | Structure of bis(2-chloroethyl)ammonium hexachlorostannate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1490 | 1491 | 10.1107/S0108270191015135 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kane, C. J.; Long, R.; Pettit, W. E.; Breneman, G. L.; Pettit, G. R.
Structure of bis(2-chloroethyl)ammonium hexachlorostannate
Acta Crystallographica Section C
48(8)
(1992)
1490-1491 | 208,362 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,205,798 | 10.49 | 0.004 | 10.903 | 0.005 | 13.026 | 0.005 | 88.736 | 0.014 | 66.916 | 0.007 | 80.309 | 0.01 | 1,349.4 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C20 H16 Cu0.5 N3 O17 S Sm2 - | - C20 H16 Cu0.5 N3 O17 S Sm2 - | - C40 H32 Cu N6 O34 S2 Sm4 - | 2 | 1 | Xu, Jing; Su, Weiping; Hong, Maochun | 3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net | CrystEngComm | 2,011 | 13 | 12 | 3998 | 10.1039/c0ce00800a | 0.71073 | MoKα | 0.0904 | 0.0733 | null | null | 0.1909 | 0.2239 | null | null | null | null | null | 1.141 | null | null | has coordinates | Xu, Jing; Su, Weiping; Hong, Maochun
3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net
CrystEngComm
13(12)
(2011)
3998 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
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2,000,698 | 10.535 | 0.002 | 10.936 | 0.002 | 16.5 | 0.003 | 90 | null | 90 | null | 90 | null | 1,901 | 0.6 | null | null | null | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | - C16 H20 Br P S Sn - | - C16 H20 Br P S Sn - | - C64 H80 Br4 P4 S4 Sn4 - | 4 | 1 | AL0519 | Preut, H.; Godry, B.; Mitchell, T. N. | [2-(Bromodimethylstaannyl)ethyl]diphenylphosphine sulfide | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1491 | 1493 | 10.1107/S0108270191014750 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Preut, H.; Godry, B.; Mitchell, T. N.
[2-(Bromodimethylstaannyl)ethyl]diphenylphosphine sulfide
Acta Crystallographica Section C
48(8)
(1992)
1491-1493 | 208,466 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-17 18:45:41 +0300 (Sun, 17 Jun 2018) $
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2,000,699 | 21.654 | 0.003 | 10.581 | 0.001 | 16.82 | 0.001 | 90 | null | 90 | null | 90 | null | 3,853.8 | 0.7 | null | null | null | null | null | null | null | null | 5 | P n a 21 | null | - C44 H45 Ir O P2 - | - C44 H45 Ir O P2 - | - C176 H180 Ir4 O4 P8 - | 4 | 1 | BR0014 | Janik, T. S.; Churchill, M. R.; See, R. F.; Randall, S. L.; McFarland, J. M.; Atwood, J. D. | Structure of <i>trans</i>-carbonylmethylbis(tri-<i>p</i>-tolylphosphine)iridium(I), <i>trans</i>-[Ir(CO)(CH~3~){P(<i>p</i>-C~6~H~4~CH~3~)~3~}~2~] | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1493 | 1495 | 10.1107/S0108270191014890 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Janik, T. S.; Churchill, M. R.; See, R. F.; Randall, S. L.; McFarland, J. M.; Atwood, J. D.
Structure of <i>trans</i>-carbonylmethylbis(tri-<i>p</i>-tolylphosphine)iridium(I), <i>trans</i>-[Ir(CO)(CH~3~){P(<i>p</i>-C~6~H~4~CH~3~)~3~}~2~]
Acta Crystallographica Section C
48(8)
(1992)
1493-1495 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,000,700 | 9.029 | 0.004 | 13.265 | 0.004 | 21.426 | 0.011 | 90 | null | 92.62 | 0.04 | 90 | null | 2,563.5 | 1.9 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C32 H25 O2 S - | - C32 H25 O2 S - | - C128 H100 O8 S4 - | 4 | 1 | LI0092 | Vojtěchovský, J.; Hašek, J. | Structure of 1,1-dioxo-2,4,4,6-tetraphenyl-4<i>H</i>-thiopyran benzene solvate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1495 | 1497 | 10.1107/S0108270191014099 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Vojtěchovský, J.; Hašek, J.
Structure of 1,1-dioxo-2,4,4,6-tetraphenyl-4<i>H</i>-thiopyran benzene solvate
Acta Crystallographica Section C
48(8)
(1992)
1495-1497 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,797 | 10.426 | null | 10.8303 | 0.0003 | 12.9799 | 0.0001 | 88.649 | 0.007 | 66.992 | 0.005 | 80.223 | 0.005 | 1,327.98 | 0.07 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C20 H16 Cu0.5 Gd2 N3 O17 S - | - C20 H16 Cu0.5 Gd2 N3 O17 S - | - C40 H32 Cu Gd4 N6 O34 S2 - | 2 | 1 | Xu, Jing; Su, Weiping; Hong, Maochun | 3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net | CrystEngComm | 2,011 | 13 | 12 | 3998 | 10.1039/c0ce00800a | 0.71073 | MoKα | 0.0617 | 0.0543 | null | null | 0.1385 | 0.1509 | null | null | null | null | null | 1.098 | null | null | has coordinates | Xu, Jing; Su, Weiping; Hong, Maochun
3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net
CrystEngComm
13(12)
(2011)
3998 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
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2,000,701 | 10.622 | 0.003 | 11.448 | 0.002 | 12.343 | 0.003 | 96.08 | 0.02 | 69.42 | 0.02 | 67.69 | 0.02 | 1,249.3 | 0.6 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C30.5 H23.5 O S - | - C35 H22 O S - | - C70 H44 O2 S2 - | 2 | 1 | LI9092 | Vojtěchovský, J.; Hašek, J. | Structure of 1-oxo-2,4,4,6-tetraphenyl-4<i>H</i>-thiopyran benzene solvate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1497 | 1499 | 10.1107/S0108270192002117 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Vojtěchovský, J.; Hašek, J.
Structure of 1-oxo-2,4,4,6-tetraphenyl-4<i>H</i>-thiopyran benzene solvate
Acta Crystallographica Section C
48(8)
(1992)
1497-1499 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,000,702 | 8.239 | 0.001 | 9.75 | 0.001 | 7.856 | 0.001 | 105.67 | 0.01 | 118.14 | 0.01 | 79.85 | 0.01 | 534.91 | 0.12 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C13 H13 N O2 - | - C13 H13 N O2 - | - C26 H26 N2 O4 - | 2 | 1 | AL0510 | Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N. | Structure of a cyclopenta[<i>hi</i>]indolizine | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1499 | 1500 | 10.1107/S0108270191014531 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.
Structure of a cyclopenta[<i>hi</i>]indolizine
Acta Crystallographica Section C
48(8)
(1992)
1499-1500 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,703 | 6.5675 | 0.0008 | 11.9949 | 0.0014 | 5.1052 | 0.0006 | 93.418 | 0.004 | 100.42 | 0.004 | 74.612 | 0.006 | 381.33 | 0.08 | null | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C16 H24 O4 - | - C16 H24 O4 - | - C16 H24 O4 - | 1 | 0.5 | ST0550 | Choubal, M. D.; Fernandez, E. J.; Crumrine, D. S.; Pavkovic, S. F. | Structure of diethyl <i>cis</i>,<i>cis</i>-3,8-cyclodecadiene-<i>trans</i>-1,6-dicarboxylate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1501 | 1502 | 10.1107/S0108270191014191 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Choubal, M. D.; Fernandez, E. J.; Crumrine, D. S.; Pavkovic, S. F.
Structure of diethyl <i>cis</i>,<i>cis</i>-3,8-cyclodecadiene-<i>trans</i>-1,6-dicarboxylate
Acta Crystallographica Section C
48(8)
(1992)
1501-1502 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,704 | 12.058 | 0.004 | 7.791 | 0.001 | 17.006 | 0.003 | 90 | null | 91.74 | 0.03 | 90 | null | 1,596.9 | 0.6 | null | null | null | null | null | null | null | null | 5 | I 1 a 1 | I -2ya | 9 | - C16 H20 N O3 P - | - C16 H20 N O3 P - | - C64 H80 N4 O12 P4 - | 4 | 1 | HA0081 | Bartczak, T. J.; Wolf, W. M.; Stoeckli-Evans, H. | Structure of <i>r</i>-5-cyano-5-methyl-<i>t</i>-4-methyl-<i>t</i>-7-oxo-7-phenyl-8-oxa-7-phosphabicyclo[4.3.0]non-2-ene monohydrate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1502 | 1504 | 10.1107/S0108270191014440 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Bartczak, T. J.; Wolf, W. M.; Stoeckli-Evans, H.
Structure of <i>r</i>-5-cyano-5-methyl-<i>t</i>-4-methyl-<i>t</i>-7-oxo-7-phenyl-8-oxa-7-phosphabicyclo[4.3.0]non-2-ene monohydrate
Acta Crystallographica Section C
48(8)
(1992)
1502-1504 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,796 | 10.51 | null | 10.9229 | 0.0004 | 13.025 | 0.0001 | 88.851 | 0.007 | 66.903 | 0.005 | 80.45 | 0.007 | 1,354.67 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C20 H16 Cu0.5 N3 Nd2 O17 S - | - C20 H16 Cu0.5 N3 Nd2 O17 S - | - C40 H32 Cu N6 Nd4 O34 S2 - | 2 | 1 | Xu, Jing; Su, Weiping; Hong, Maochun | 3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net | CrystEngComm | 2,011 | 13 | 12 | 3998 | 10.1039/c0ce00800a | 0.71073 | MoKα | 0.0691 | 0.058 | null | null | 0.1567 | 0.173 | null | null | null | null | null | 1.1 | null | null | has coordinates | Xu, Jing; Su, Weiping; Hong, Maochun
3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net
CrystEngComm
13(12)
(2011)
3998 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
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2,000,705 | 13.345 | 0.003 | 7.729 | 0.002 | 10.471 | 0.002 | 90 | null | 101.18 | 0.02 | 90 | null | 1,059.5 | 0.4 | null | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C23 H37 D3 O3 - | - C23 H37 D3 O3 - | - C46 H74 D6 O6 - | 2 | 1 | CR0374 | McMullan, R. K.; Koetzle, T. F.; Fronckowiak, M. D. | Structure of [20-CH~3~],[20-CD~3~]-methylpregnene-3,20-diol methanolate from neutron diffraction at 123 K | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1509 | 1512 | 10.1107/S0108270192000234 | neutron | 1.0508 | neutron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | McMullan, R. K.; Koetzle, T. F.; Fronckowiak, M. D.
Structure of [20-CH~3~],[20-CD~3~]-methylpregnene-3,20-diol methanolate from neutron diffraction at 123 K
Acta Crystallographica Section C
48(8)
(1992)
1509-1512 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000705.cif $
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2,000,706 | 9.123 | 0.003 | 15.727 | 0.003 | 11.916 | 0.003 | 90 | null | 106.53 | 0.02 | 90 | null | 1,639 | 0.8 | null | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | - C19 H18 O4 - | - C19 H18 O4 - | - C76 H72 O16 - | 4 | 1 | HU0403 | Linden, A. | Structure of 3-benzyloxy-5-(benzyloxymethyl)-5<i>H</i>-furan-2-one | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1514 | 1516 | 10.1107/S0108270192000337 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Linden, A.
Structure of 3-benzyloxy-5-(benzyloxymethyl)-5<i>H</i>-furan-2-one
Acta Crystallographica Section C
48(8)
(1992)
1514-1516 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,000,707 | 8.4118 | 0.0002 | 11.9934 | 0.0004 | 7.9901 | 0.0004 | 83.493 | 0.003 | 114.946 | 0.003 | 101.598 | 0.003 | 715.59 | 0.05 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C18 H16 N2 O2 - | - C18 H16 N2 O2 - | - C36 H32 N4 O4 - | 2 | 1 | CR0392 | Sui, X.; Codding, P. W. | Structure of 3,4-diethylcanthine-5,6-dione | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1516 | 1518 | 10.1107/S0108270192000222 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Sui, X.; Codding, P. W.
Structure of 3,4-diethylcanthine-5,6-dione
Acta Crystallographica Section C
48(8)
(1992)
1516-1518 | 208,360 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $
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2,000,708 | 24.386 | 0.003 | 10.816 | 0.002 | 9.983 | 0.001 | 90 | null | 92.71 | 0.01 | 90 | null | 2,630.2 | 0.6 | null | null | null | null | null | null | null | null | 4 | P 1 21 1 | null | - C46 H83 N O18 - | - C46 H77 N O19 - | - C92 H154 N2 O38 - | 2 | 1 | AS0564 | Nakai, H.; Matsutani, S. | Structure of concanamycin A pentahydrate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1519 | 1521 | 10.1107/S0108270191014749 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Nakai, H.; Matsutani, S.
Structure of concanamycin A pentahydrate
Acta Crystallographica Section C
48(8)
(1992)
1519-1521 | 191,088 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-30 15:14:41 +0200 (Mon, 30 Jan 2017) $
#$Revision: 191088 $
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2,000,709 | 12.8198 | 0.0009 | 6.9843 | 0.0008 | 23.0717 | 0.0013 | 90 | null | 102.981 | 0.005 | 90 | null | 2,013 | 0.3 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C22 H17 N3 S3 - | - C22 H17 N3 S3 - | - C88 H68 N12 S12 - | 4 | 1 | AL0516 | Husebye, S.; Maartmann-Moe, K.; Mikalsen, Ø. | The structure of a trisubstituted 3<i>H</i>-1,2-dithiole | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1521 | 1523 | 10.1107/S0108270191015007 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Husebye, S.; Maartmann-Moe, K.; Mikalsen, Ø.
The structure of a trisubstituted 3<i>H</i>-1,2-dithiole
Acta Crystallographica Section C
48(8)
(1992)
1521-1523 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/07/2000709.cif $
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2,000,710 | 10.1406 | 0.0005 | 10.1948 | 0.0006 | 18.87 | 0.001 | 90 | null | 97.253 | 0.002 | 90 | null | 1,935.2 | 0.18 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C18 H15 P S4 - | - C18 H15 P S4 - | - C72 H60 P4 S16 - | 4 | 1 | HH0567 | Shibao, R. K.; Keder, N. L.; Eckert, H. | Structure of tris(phenylthio)phosphine sulfide | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1525 | 1527 | 10.1107/S0108270191014919 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Shibao, R. K.; Keder, N. L.; Eckert, H.
Structure of tris(phenylthio)phosphine sulfide
Acta Crystallographica Section C
48(8)
(1992)
1525-1527 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,795 | 10.503 | 0.006 | 10.907 | 0.007 | 13.045 | 0.007 | 88.62 | 0.02 | 66.884 | 0.015 | 80.085 | 0.017 | 1,352.3 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C20 H16 Cu0.5 Eu2 N3 O17 S - | - C20 H16 Cu0.5 Eu2 N3 O17 S - | - C40 H32 Cu Eu4 N6 O34 S2 - | 2 | 1 | Xu, Jing; Su, Weiping; Hong, Maochun | 3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net | CrystEngComm | 2,011 | 13 | 12 | 3998 | 10.1039/c0ce00800a | 0.71073 | MoKα | 0.0757 | 0.0622 | null | null | 0.1521 | 0.1686 | null | null | null | null | null | 1.122 | null | null | has coordinates | Xu, Jing; Su, Weiping; Hong, Maochun
3D lanthanide‒transition-metal‒organic frameworks constructed from tetranuclear {Ln4} SBUs and Cu centres with fsc net
CrystEngComm
13(12)
(2011)
3998 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
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2,000,711 | 10.615 | 0.001 | 9.115 | 0.002 | 12.948 | 0.002 | 90 | null | 108.57 | 0.01 | 90 | null | 1,187.6 | 0.3 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 7-acetyl-2,5,9-trinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonan-8-one | - C7 H9 N7 O8 - | - C7 H9 N7 O8 - | - C28 H36 N28 O32 - | 4 | 1 | HH0573 | George, C.; Gilardi, R.; Flippen-Anderson, J. L. | Structure of 7-acetyl-2,5,9-trinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonan-8-one | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1527 | 1528 | 10.1107/S0108270191014956 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | George, C.; Gilardi, R.; Flippen-Anderson, J. L.
Structure of 7-acetyl-2,5,9-trinitro-2,5,7,9-tetraazabicyclo[4.3.0]nonan-8-one
Acta Crystallographica Section C
48(8)
(1992)
1527-1528 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,000,712 | 6.151 | 0.002 | 13.484 | 0.007 | 15.165 | 0.009 | 90 | null | 90.94 | 0.05 | 90 | null | 1,257.6 | 1.1 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C10 H16 N4 O5 - | - C10 H16 N4 O5 - | - C40 H64 N16 O20 - | 4 | 1 | HH0576 | Gilardi, R.; George, C.; Flippen-Anderson, J. L. | Structures of (I) 6-nitro-2,4-dipropionyl-8-oxa-2,4,6-triazabicyclo[3.3.0]octane and (II) 2,4-diacetyl-6-nitro-8-oxa-2,4,6-triazabicyclo[3.3.0]octane | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1528 | 1530 | 10.1107/S0108270191014944 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gilardi, R.; George, C.; Flippen-Anderson, J. L.
Structures of (I) 6-nitro-2,4-dipropionyl-8-oxa-2,4,6-triazabicyclo[3.3.0]octane and (II) 2,4-diacetyl-6-nitro-8-oxa-2,4,6-triazabicyclo[3.3.0]octane
Acta Crystallographica Section C
48(8)
(1992)
1528-1530 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,000,713 | 7.801 | 0.001 | 19.885 | 0.003 | 7.077 | 0.001 | 90 | null | 91.35 | 0.02 | 90 | null | 1,097.5 | 0.3 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | null | - C8 H12 N4 O5 - | - C8 H18 N4 O5 - | - C32 H72 N16 O20 - | 4 | 1 | HH0576 | Gilardi, R.; George, C.; Flippen-Anderson, J. L. | Structures of (I) 6-nitro-2,4-dipropionyl-8-oxa-2,4,6-triazabicyclo[3.3.0]octane and (II) 2,4-diacetyl-6-nitro-8-oxa-2,4,6-triazabicyclo[3.3.0]octane | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1528 | 1530 | 10.1107/S0108270191014944 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gilardi, R.; George, C.; Flippen-Anderson, J. L.
Structures of (I) 6-nitro-2,4-dipropionyl-8-oxa-2,4,6-triazabicyclo[3.3.0]octane and (II) 2,4-diacetyl-6-nitro-8-oxa-2,4,6-triazabicyclo[3.3.0]octane
Acta Crystallographica Section C
48(8)
(1992)
1528-1530 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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7,205,794 | 10.1389 | 0.0004 | 11.0056 | 0.0004 | 11.6749 | 0.0005 | 86.929 | 0.002 | 78.811 | 0.002 | 68.01 | 0.0019 | 1,184.74 | 0.08 | 150 | 1 | 150 | 1 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C30 H16 B Br N6 O - | - C30 H16 B Br N6 O - | - C60 H32 B2 Br2 N12 O2 - | 2 | 1 | Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P. | A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines | CrystEngComm | 2,011 | 13 | 11 | 3653 | 10.1039/c0ce00796j | 0.71073 | MoKα | 0.0659 | 0.0413 | null | null | 0.0906 | 0.1009 | null | null | null | null | null | 1.018 | null | null | has coordinates | Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.
A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines
CrystEngComm
13(11)
(2011)
3653 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
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2,000,714 | 6.552 | 0.002 | 25.794 | 0.006 | 19.412 | 0.005 | 90 | null | 90 | null | 90 | null | 3,280.7 | 1.5 | null | null | null | null | null | null | null | null | 4 | P b c a | null | - C11 H18 N8 O8 - | - C11 H18 N8 O8 - | - C88 H144 N64 O64 - | 8 | 1 | HH0579 | Flippen-Anderson, J. L.; George, C.; Gilardi, R. | Structure of 2,4,6-trinitro-8,10-dipropionyl-2,4,6,8,10-pentaazabicyclo[5.3.0]decane | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1530 | 1531 | 10.1107/S0108270191015123 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Flippen-Anderson, J. L.; George, C.; Gilardi, R.
Structure of 2,4,6-trinitro-8,10-dipropionyl-2,4,6,8,10-pentaazabicyclo[5.3.0]decane
Acta Crystallographica Section C
48(8)
(1992)
1530-1531 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,715 | 8.482 | 0.001 | 11.844 | 0.002 | 11.943 | 0.002 | 90 | null | 90 | null | 90 | null | 1,199.8 | 0.3 | null | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C8 H12 N6 O6 - | - C8 H12 N6 O6 - | - C32 H48 N24 O24 - | 4 | 1 | HH0606 | Gilardi, R.; George, C.; Flippen-Anderson, J. L. | Structure of 6,8-diacetyl-2,4-dinitro-2,4,6,8-tetraazabicyclo[3.3.0]octane | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1532 | 1533 | 10.1107/S0108270191014968 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gilardi, R.; George, C.; Flippen-Anderson, J. L.
Structure of 6,8-diacetyl-2,4-dinitro-2,4,6,8-tetraazabicyclo[3.3.0]octane
Acta Crystallographica Section C
48(8)
(1992)
1532-1533 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,716 | 10.636 | 0.002 | 12.759 | 0.001 | 18.185 | 0.002 | 90 | null | 90 | null | 90 | null | 2,467.8 | 0.6 | null | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C25 H41 N2 O2 P - | - C25 H41 N2 O2 P - | - C100 H164 N8 O8 P4 - | 4 | 1 | CD0065 | Bélanger-Gariépy, F.; Bennani, Y. L.; Beaudoin, S.; Hanessian, S. | Structure of a chiral bicyclic β-hydroxyphosphonamide - an asymmetric olefination intermediate, C~25~H~41~N~2~O~2~P | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1533 | 1535 | 10.1107/S0108270191014671 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Bélanger-Gariépy, F.; Bennani, Y. L.; Beaudoin, S.; Hanessian, S.
Structure of a chiral bicyclic β-hydroxyphosphonamide - an asymmetric olefination intermediate, C~25~H~41~N~2~O~2~P
Acta Crystallographica Section C
48(8)
(1992)
1533-1535 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,717 | 9.101 | 0.003 | 8.612 | 0.006 | 13.79 | 0.005 | 90 | null | 92.29 | 0.03 | 90 | null | 1,080 | 0.9 | null | null | null | null | null | null | null | null | 5 | P 1 21 1 | null | - C22 H35 N2 O2 P - | - C22 H35 N2 O2 P - | - C44 H70 N4 O4 P2 - | 2 | 1 | CD0066 | Simard, M.; Beaudoin, S.; Hanessian, S. | Structure of a chiral bicyclic β-hydroxyphosphonamide - a product of kinetic resolution in an olefination reaction, C~22~H~35~N~2~O~2~P | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1535 | 1537 | 10.1107/S0108270191014695 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Simard, M.; Beaudoin, S.; Hanessian, S.
Structure of a chiral bicyclic β-hydroxyphosphonamide - a product of kinetic resolution in an olefination reaction, C~22~H~35~N~2~O~2~P
Acta Crystallographica Section C
48(8)
(1992)
1535-1537 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,793 | 10.1878 | 0.0003 | 11.1594 | 0.0004 | 11.6949 | 0.0004 | 87.172 | 0.0016 | 79.795 | 0.0017 | 68.681 | 0.0018 | 1,218.85 | 0.07 | 150 | 1 | 150 | 1 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C30 H16 B I N6 O - | - C30 H16 B I N6 O - | - C60 H32 B2 I2 N12 O2 - | 2 | 1 | Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P. | A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines | CrystEngComm | 2,011 | 13 | 11 | 3653 | 10.1039/c0ce00796j | 0.71073 | MoKα | 0.0467 | 0.0346 | null | null | 0.0788 | 0.0859 | null | null | null | null | null | 1.049 | null | null | has coordinates | Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.
A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines
CrystEngComm
13(11)
(2011)
3653 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
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2,000,718 | 13.703 | 0.002 | 9.122 | 0.002 | 18.028 | 0.002 | 90 | null | 107.15 | 0.01 | 90 | null | 2,153.3 | 0.6 | null | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C27 H22 O5 - | - C27 H22 O5 - | - C108 H88 O20 - | 4 | 1 | ST0562 | Prince, P.; Fronczek, F. R.; Gandour, R. D. | Methyl 8-[(2,7-dimethoxynaphthyl)ethynyl]-7-methoxy-2-naphthoate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1538 | 1540 | 10.1107/S0108270191014786 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Prince, P.; Fronczek, F. R.; Gandour, R. D.
Methyl 8-[(2,7-dimethoxynaphthyl)ethynyl]-7-methoxy-2-naphthoate
Acta Crystallographica Section C
48(8)
(1992)
1538-1540 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,719 | 7.842 | 0.001 | 13.84 | 0.002 | 8.536 | 0.001 | 90 | null | 100.04 | 0.01 | 90 | null | 912.3 | 0.2 | 292 | null | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C20 H24 O5 - | - C20 H24 O5 - | - C40 H48 O10 - | 2 | 1 | NA1003 | Rychlewska, U.; Szczepańska, B.; Serkerov, S. V. | Two eudesmanolide-type sesquiterpene lactones from <i>Umbelliferae</i> | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1543 | 1547 | 10.1107/S0108270192004268 | 1.54178 | CuKα | null | 0.039 | null | null | 0.053 | null | null | null | null | 3.4 | 3.4 | null | null | null | has coordinates | Rychlewska, U.; Szczepańska, B.; Serkerov, S. V.
Two eudesmanolide-type sesquiterpene lactones from <i>Umbelliferae</i>
Acta Crystallographica Section C
48(8)
(1992)
1543-1547 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,720 | 8.035 | 0.001 | 7.208 | 0.001 | 15.887 | 0.003 | 90 | null | 90.92 | 0.01 | 90 | null | 920 | 0.2 | 292 | null | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C20 H26 O4 - | - C20 H26 O4 - | - C40 H52 O8 - | 2 | 1 | NA1003 | Rychlewska, U.; Szczepańska, B.; Serkerov, S. V. | Two eudesmanolide-type sesquiterpene lactones from <i>Umbelliferae</i> | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1543 | 1547 | 10.1107/S0108270192004268 | 1.54178 | CuKα | null | 0.041 | null | null | 0.051 | null | null | null | null | 3.1 | 3.1 | null | null | null | has coordinates | Rychlewska, U.; Szczepańska, B.; Serkerov, S. V.
Two eudesmanolide-type sesquiterpene lactones from <i>Umbelliferae</i>
Acta Crystallographica Section C
48(8)
(1992)
1543-1547 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
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2,000,721 | 8.465 | 0.002 | 6.062 | 0.001 | 11.901 | 0.002 | 90 | null | 95.78 | 0.01 | 90 | null | 607.6 | 0.2 | 293 | 1 | 293 | 1 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | 2-(4-methylphenyl)-1H-indene-1,3(2H)-dione | - C16 H12 O2 - | - C16 H12 O2 - | - C32 H24 O4 - | 2 | 1 | AL1009 | Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I. | Structure of 2-(4-methylphenyl)-1<i>H</i>-indene-1,3(2<i>H</i>)-dione | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1547 | 1549 | 10.1107/S0108270192005742 | 0.71073 | MoKα | null | 0.033 | null | null | 0.043 | null | null | null | null | 1.08 | 1.08 | null | null | null | has coordinates | Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.
Structure of 2-(4-methylphenyl)-1<i>H</i>-indene-1,3(2<i>H</i>)-dione
Acta Crystallographica Section C
48(8)
(1992)
1547-1549 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,792 | 10.0961 | 0.0004 | 10.9362 | 0.0004 | 11.6798 | 0.0003 | 86.562 | 0.002 | 78.274 | 0.002 | 67.484 | 0.0014 | 1,166.21 | 0.07 | 150 | 1 | 150 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C30 H16 B Cl N6 O - | - C30 H16 B Cl N6 O - | - C60 H32 B2 Cl2 N12 O2 - | 2 | 1 | Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P. | A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines | CrystEngComm | 2,011 | 13 | 11 | 3653 | 10.1039/c0ce00796j | 0.71073 | MoKα | 0.0841 | 0.0524 | null | null | 0.1304 | 0.1548 | null | null | null | null | null | 1.059 | null | null | has coordinates | Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.
A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines
CrystEngComm
13(11)
(2011)
3653 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
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2,000,722 | 8.81 | 0.002 | 9.231 | 0.003 | 9.34 | 0.002 | 84.48 | 0.02 | 75.88 | 0.02 | 66.49 | 0.02 | 675.5 | 0.3 | 296 | null | 296 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 4-methoxycarbonyl-8,9-methylenedioxy-1,2,5,6,10b-pentahydro-2- oxobenzo[d]cyclopen[b]azepine | - C16 H15 N O5 - | - C16 H15 N O5 - | - C32 H30 N2 O10 - | 2 | 1 | CR1010 | Robinson, P. D.; Hua, D. H.; Hong, Y.; Miao, S. W. | Methyl 1,2,4,5,6,10b-hexahydro-8,9-methylenedioxy-2-oxobenzo[<i>d</i>]cyclopenta[<i>b</i>]azepine-4-carboxylate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1549 | 1551 | 10.1107/S0108270192005626 | 0.71069 | MoKα | null | 0.049 | null | null | 0.047 | null | null | null | null | 1.32 | 1.32 | null | null | null | has coordinates | Robinson, P. D.; Hua, D. H.; Hong, Y.; Miao, S. W.
Methyl 1,2,4,5,6,10b-hexahydro-8,9-methylenedioxy-2-oxobenzo[<i>d</i>]cyclopenta[<i>b</i>]azepine-4-carboxylate
Acta Crystallographica Section C
48(8)
(1992)
1549-1551 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,723 | 8.321 | 0.003 | 10.271 | 0.003 | 15.313 | 0.004 | 71.59 | 0.02 | 84.88 | 0.02 | 73.5 | 0.02 | 1,190.6 | 0.7 | 293 | 1 | 293 | 1 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Ethyl (Z)-4-(chlorodimethylstannyl)-6-hydroxy-7-oxo- 6,7-diphenyl-3-heptenoate | - C23 H27 Cl O4 Sn - | - C23 H27 Cl O4 Sn - | - C46 H54 Cl2 O8 Sn2 - | 2 | 1 | KA1011 | Preut, H.; Dornseifer, N. M.; Mitchell, T. N. | Structure of ethyl (<i>Z</i>)-4-(chlorodimethyl-stannyl)-6-hydroxy-7-oxo-6,7-diphenyl-3-heptenoate | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1551 | 1553 | 10.1107/S0108270192005705 | 0.71073 | MoKα | 0.0413 | 0.0323 | null | 0.0435 | 0.0388 | null | null | null | null | 0.8672 | 0.8672 | null | null | null | has coordinates | Preut, H.; Dornseifer, N. M.; Mitchell, T. N.
Structure of ethyl (<i>Z</i>)-4-(chlorodimethyl-stannyl)-6-hydroxy-7-oxo-6,7-diphenyl-3-heptenoate
Acta Crystallographica Section C
48(8)
(1992)
1551-1553 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,000,724 | 10.657 | 0.001 | 5.12 | 0.001 | 14.813 | 0.002 | 90 | null | 109.06 | 0.01 | 90 | null | 763.9 | 0.2 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C20 H12 N2 S2 - | - C20 H12 N2 S2 - | - C40 H24 N4 S4 - | 2 | 0.5 | SE1004 | Mizuguchi, J.; Rihs, G. | Structure of 5,7,12,14-tetrahydroquinolino[2,3-<i>b</i>]acridine-7,14-dithione | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1553 | 1555 | 10.1107/S0108270192004475 | 1.5418 | CuKα | null | 0.056 | null | null | 0.066 | null | null | null | null | 1.48 | 1.48 | null | null | null | warnings | has coordinates | Mizuguchi, J.; Rihs, G.
Structure of 5,7,12,14-tetrahydroquinolino[2,3-<i>b</i>]acridine-7,14-dithione
Acta Crystallographica Section C
48(8)
(1992)
1553-1555 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,725 | 8.871 | 0.001 | 10.256 | 0.001 | 7.345 | 0.001 | 90 | null | 117.27 | 0.01 | 90 | null | 593.98 | 0.13 | 123 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C4 H5 Na O4 - | - C4 H5 Na O4 - | - C16 H20 Na4 O16 - | 4 | 0.5 | MU1014 | Mallinson, P. R.; Frampton, C. S. | Structure of sodium hydrogen succinate at 123 K | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1555 | 1556 | 10.1107/S0108270192006310 | 0.71069 | MoKα | null | 0.0276 | null | null | 0.0363 | null | null | null | null | 2.29 | 2.29 | null | null | null | has coordinates | Mallinson, P. R.; Frampton, C. S.
Structure of sodium hydrogen succinate at 123 K
Acta Crystallographica Section C
48(8)
(1992)
1555-1556 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,000,726 | 9.288 | 0.001 | 11.301 | 0.002 | 12.737 | 0.002 | 101.1 | 0.01 | 95.39 | 0.01 | 109.46 | 0.01 | 1,218.8 | 0.3 | 293 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C58 H40 Se8 - | - C58 H40 Se8 - | - C58 H40 Se8 - | 1 | 0.5 | MU1012 | MacNicol, D. D.; Mallinson, P. R.; Robertson, C. D. | Octakis(phenylseleno)naphthalene | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1557 | 1558 | 10.1107/S0108270192006255 | 0.71069 | MoKα | null | 0.044 | null | null | 0.047 | null | null | null | null | 1.9 | 1.9 | null | null | null | has coordinates | MacNicol, D. D.; Mallinson, P. R.; Robertson, C. D.
Octakis(phenylseleno)naphthalene
Acta Crystallographica Section C
48(8)
(1992)
1557-1558 | 208,360 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $
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7,205,791 | 15.7312 | 0.0012 | 10.2246 | 0.0009 | 16.4141 | 0.0013 | 90 | null | 113.281 | 0.005 | 90 | null | 2,425.2 | 0.4 | 150 | 1 | 150 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C30 H16 B Br N6 O - | - C30 H16 B Br N6 O - | - C120 H64 B4 Br4 N24 O4 - | 4 | 1 | Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P. | A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines | CrystEngComm | 2,011 | 13 | 11 | 3653 | 10.1039/c0ce00796j | 0.71073 | MoKα | 0.1368 | 0.0638 | null | null | 0.1388 | 0.169 | null | null | null | null | null | 1.026 | null | null | has coordinates | Paton, Andrew S.; Lough, Alan J.; Bender, Timothy P.
A role for π‒Br interactions in the solid-state molecular packing of para-halo-phenoxy-boronsubphthalocyanines
CrystEngComm
13(11)
(2011)
3653 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
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2,000,727 | 6.4253 | 0.0006 | 10.7241 | 0.0008 | 13.049 | 0.001 | 84.084 | 0.006 | 82.435 | 0.007 | 87.378 | 0.007 | 886.1 | 0.13 | 293 | null | 293 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | δ-[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] hexafluorophosphate | - C10 H8 F6 P S8 - | - C10 H8 F6 P S8 - | - C20 H16 F12 P2 S16 - | 2 | 1 | CR1000 | Bu, X.; Cisarova, I.; Coppens, P. | Structure of δ-(BEDT-TTF)PF~6~ | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1558 | 1560 | 10.1107/S0108270192005250 | 0.71073 | MoKα | null | 0.042 | null | null | 0.054 | null | null | null | null | 2.55 | 2.55 | null | null | null | has coordinates | Bu, X.; Cisarova, I.; Coppens, P.
Structure of δ-(BEDT-TTF)PF~6~
Acta Crystallographica Section C
48(8)
(1992)
1558-1560 | 190,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-12 11:15:24 +0200 (Thu, 12 Jan 2017) $
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2,000,728 | 14.744 | 0.001 | 6.676 | 0.002 | 32.151 | 0.003 | 90 | null | 90 | null | 90 | null | 3,164.7 | 1 | 293 | null | 293 | null | null | null | null | null | 4 | P c c a | -P 2a 2ac | 54 | Di[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] Dicyanamide | - C22 H16 N3 S16 - | - C22 H16 N3 S16 - | - C88 H64 N12 S64 - | 4 | 0.5 | CR1001 | Bu, X.; Coppens, P.; Lederle, B.; Naughton, M. J. | Structure of (BEDT-TTF)~2~N(CN)~2~ | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1560 | 1561 | 10.1107/S0108270192005262 | 0.71073 | MoKα | null | 0.077 | null | null | 0.125 | null | null | null | null | 5.05 | 5.05 | null | null | null | has coordinates | Bu, X.; Coppens, P.; Lederle, B.; Naughton, M. J.
Structure of (BEDT-TTF)~2~N(CN)~2~
Acta Crystallographica Section C
48(8)
(1992)
1560-1561 | 190,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-12 11:15:24 +0200 (Thu, 12 Jan 2017) $
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2,000,729 | 14.527 | 0.001 | 10.735 | 0.002 | 5.9233 | 0.0006 | 90 | null | 105.559 | 0.008 | 90 | null | 889.9 | 0.2 | 293 | null | 293 | null | null | null | null | null | 5 | C 1 2/m 1 | -C 2y | 12 | ε-[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] hexafluorophosphate | - C10 H8 F6 P S8 - | - C10 H8 F6 P S8 - | - C20 H16 F12 P2 S16 - | 2 | 0.25 | CR1002 | Bu, X.; Cisarova, I.; Coppens, P. | Structure of {εpsilon}-(BEDT-TTF)PF~6~ | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1562 | 1563 | 10.1107/S0108270192005274 | 0.71073 | MoKα | null | 0.082 | null | null | 0.114 | null | null | null | null | 6.4 | 6.4 | null | null | null | has coordinates | Bu, X.; Cisarova, I.; Coppens, P.
Structure of {εpsilon}-(BEDT-TTF)PF~6~
Acta Crystallographica Section C
48(8)
(1992)
1562-1563 | 190,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-12 11:15:24 +0200 (Thu, 12 Jan 2017) $
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2,000,730 | 8.293 | 0.001 | 6.703 | 0.001 | 33.02 | 0.008 | 90 | null | 91.87 | 0.02 | 90 | null | 1,834.5 | 0.6 | 293 | null | 293 | null | null | null | null | null | 6 | P 1 2/c 1 | -P 2yc | 13 | ζ-di[3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalenium] hexafluorophosphate | - C24 H24 F6 O P S16 - | - C24 H24 F6 O2 P S16 - | - C48 H48 F12 O4 P2 S32 - | 2 | 0.5 | CR1003 | Bu, X.; Cisarova, I.; Coppens, P. | Structure of ζ-(BEDT-TTF)~2~PF~6~.C~4~H~8~O~2~ | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1563 | 1565 | 10.1107/S0108270192005286 | 0.71073 | MoKα | null | 0.119 | null | null | 0.141 | null | null | null | null | 3.39 | 3.39 | null | null | null | has coordinates | Bu, X.; Cisarova, I.; Coppens, P.
Structure of ζ-(BEDT-TTF)~2~PF~6~.C~4~H~8~O~2~
Acta Crystallographica Section C
48(8)
(1992)
1563-1565 | 190,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-12 11:15:24 +0200 (Thu, 12 Jan 2017) $
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2,000,731 | 8.892 | 0.001 | 15.627 | 0.002 | 17.84 | 0.002 | 66.169 | 0.009 | 79.791 | 0.009 | 85.81 | 0.009 | 2,231.7 | 0.5 | 293 | null | 293 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C40 H32 Hg2 I14 S32 - | - C40 H32 Hg2 I14 S32 - | - C40 H32 Hg2 I14 S32 - | 1 | 0.5 | CR1004 | Bu, X.; Coppens, P. | Structure of (BEDT-TTF)~4~Hg~2~I~6~(I~8~) | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1565 | 1566 | 10.1107/S0108270192005298 | 0.71073 | MoKα | null | 0.07 | null | null | 0.089 | null | null | null | null | 3.77 | 3.77 | null | null | null | has coordinates | Bu, X.; Coppens, P.
Structure of (BEDT-TTF)~4~Hg~2~I~6~(I~8~)
Acta Crystallographica Section C
48(8)
(1992)
1565-1566 | 190,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-12 11:15:24 +0200 (Thu, 12 Jan 2017) $
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2,000,732 | 9.181 | 0.003 | 14.841 | 0.006 | 11.598 | 0.004 | 90 | null | 113.3 | 0.02 | 90 | null | 1,451.4 | 0.9 | 298 | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C32 H34 Cl2 P2 Ru - | - C32 H34 Cl2 P2 Ru - | - C64 H68 Cl4 P4 Ru2 - | 2 | 1 | HA1005 | Blake, A. J.; Easton, T.; Stephenson, T. A. | <i>cis</i>-Dichlorobis(1-butenyldiphenylphosphine)ruthenium(II) | Acta Crystallographica Section C | 1,992 | 48 | 8 | 1567 | 1568 | 10.1107/S0108270192004955 | 0.71073 | MoKα | null | 0.0583 | null | null | 0.0704 | null | null | null | null | 1.29 | 1.29 | null | null | null | has coordinates | Blake, A. J.; Easton, T.; Stephenson, T. A.
<i>cis</i>-Dichlorobis(1-butenyldiphenylphosphine)ruthenium(II)
Acta Crystallographica Section C
48(8)
(1992)
1567-1568 | 205,898 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $
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7,205,790 | 10.741 | 0.009 | 11.109 | 0.009 | 11.933 | 0.011 | 77.678 | 0.019 | 84.65 | 0.03 | 75.99 | 0.02 | 1,348 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C14 H24.5 Cu4 N2 O19.25 P4 - | - C14 H14 Cu3.95 N2 O19.25 P4 - | - C28 H28 Cu7.9 N4 O38.5 P8 - | 2 | 1 | Fu, Ruibiao; Hu, Shengmin; Wu, Xintao | Syntheses, crystal structures, thermal stabilities, magnetism and luminescence of two 3D metal phosphonates | CrystEngComm | 2,011 | 13 | 7 | 2331 | 10.1039/c0ce00791a | 0.71073 | MoKα | 0.1286 | 0.0961 | null | null | 0.2824 | 0.3059 | null | null | null | null | null | 1.074 | null | null | has coordinates | Fu, Ruibiao; Hu, Shengmin; Wu, Xintao
Syntheses, crystal structures, thermal stabilities, magnetism and luminescence of two 3D metal phosphonates
CrystEngComm
13(7)
(2011)
2331 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
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2,000,733 | 12.262 | 0.003 | 4.121 | 0.003 | 14.713 | 0.002 | 90 | null | 90 | null | 90 | null | 743.5 | 0.6 | null | null | null | null | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | - Ba S4 Sm2 - | - Ba S4 Sm2 - | - Ba4 S16 Sm8 - | 4 | 0.5 | ST0546 | Carpenter, J. D.; Hwu, S.-J. | Single-crystal structure of BaSm~2~S~4~ | Acta Crystallographica Section C | 1,992 | 48 | 7 | 1164 | 1167 | 10.1107/S010827019101418X | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Carpenter, J. D.; Hwu, S.-J.
Single-crystal structure of BaSm~2~S~4~
Acta Crystallographica Section C
48(7)
(1992)
1164-1167 | 278,244 | 2022-09-28 | 13:56:22 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $
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2,000,734 | 17.254 | 0.005 | 7.543 | 0.001 | 23.465 | 0.005 | 90 | null | 90 | null | 90 | null | 3,054 | 2 | null | null | null | null | null | null | null | null | 6 | C m c m | null | - Ag9 H8 N2 Na O34 P8 - | - Ag10 N2 Na2 O34 P8 - | - Ag40 N8 Na8 O136 P32 - | 4 | 0.25 | PA0262 | Averbuch-Pouchot, M.-T.; Durif, A. | Structure of nonasilver sodium <i>cyclo</i>-octaphosphate dinitrate tetrahydrate: Ag~9~NaP~8~O~24~(NO~3~)~2~.4H~2~O | Acta Crystallographica Section C | 1,992 | 48 | 7 | 1173 | 1176 | 10.1107/S0108270191014543 | 0.5608 | Ag | null | null | null | null | null | null | null | null | null | null | null | null | 1,007,200 | null | has coordinates | Averbuch-Pouchot, M.-T.; Durif, A.
Structure of nonasilver sodium <i>cyclo</i>-octaphosphate dinitrate tetrahydrate: Ag~9~NaP~8~O~24~(NO~3~)~2~.4H~2~O
Acta Crystallographica Section C
48(7)
(1992)
1173-1176 | 287,519 | 2023-11-10 | 19:29:21 | #------------------------------------------------------------------------------
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2,000,735 | 5.598 | 0.002 | 15.292 | 0.009 | 5.532 | 0.002 | 90 | null | 90 | null | 90 | null | 473.6 | 0.4 | null | null | null | null | null | null | null | null | 3 | A b a 2 | A 2 -2ab | null | - Bi2 O5.5 V - | - Bi2 O6 V - | - Bi8 O24 V4 - | 4 | null | DU0318 | Touboul, M.; Lokaj, J.; Tessier, L.; Kettman, V.; Vrabel, V. | Structure of dibismuth vanadate Bi~2~VO~5.5~ | Acta Crystallographica Section C | 1,992 | 48 | 7 | 1176 | 1179 | 10.1107/S010827019101421X | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Touboul, M.; Lokaj, J.; Tessier, L.; Kettman, V.; Vrabel, V.
Structure of dibismuth vanadate Bi~2~VO~5.5~
Acta Crystallographica Section C
48(7)
(1992)
1176-1179 | 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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2,000,736 | 6.51 | 0.001 | 6.51 | 0.001 | 6.51 | 0.001 | 89.47 | 0.02 | 89.47 | 0.02 | 89.47 | 0.02 | 275.86 | 0.07 | null | null | null | null | null | null | null | null | 3 | R -3 :R | -P 3* | 148 | - Mo6 S8 Sn0.854 - | - Mo6 S8 Sn0.854 - | - Mo6 S8 Sn0.854 - | 1 | 0.166667 | CR0368 | Le Lay, L.; Powell, D. R.; Willis, T. C. | Structure of Sn~0.854~Mo~6~S~8~ | Acta Crystallographica, Section C: Crystal Structure Communications | 1,992 | 48 | 7 | 1179 | 1182 | 10.1107/S0108270191014609 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Le Lay, L.; Powell, D. R.; Willis, T. C.
Structure of Sn~0.854~Mo~6~S~8~
Acta Crystallographica, Section C: Crystal Structure Communications
48(7)
(1992)
1179-1182 | 302,839 | 2025-10-08 | 17:22:55 | #------------------------------------------------------------------------------
#$Date: 2025-10-08 20:22:48 +0300 (Wed, 08 Oct 2025) $
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2,000,737 | 7.139 | 0.006 | 19.008 | 0.009 | 8.469 | 0.009 | 90 | null | 90 | null | 90 | null | 1,149.2 | 1.6 | null | null | null | null | null | null | null | null | 4 | P c 21 b | P -2bc -2c | null | - H La O6 Se2 - | - La O6 Se2 - | - La8 O48 Se16 - | 8 | 2 | CR0356 | Morris, R.; Harrison, W. T. A.; Stucky, G. D.; Cheetham, A. K. | The synthesis and crystal structure of LaHSe~2~O~6~, a layered anhydrous selenite | Acta Crystallographica Section C | 1,992 | 48 | 7 | 1182 | 1185 | 10.1107/S0108270191014300 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Morris, R.; Harrison, W. T. A.; Stucky, G. D.; Cheetham, A. K.
The synthesis and crystal structure of LaHSe~2~O~6~, a layered anhydrous selenite
Acta Crystallographica Section C
48(7)
(1992)
1182-1185 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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7,205,789 | 5.579 | 0.003 | 12.653 | 0.006 | 16.384 | 0.009 | 90 | null | 95.977 | 0.01 | 90 | null | 1,150.3 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C7 H9 N O8 P2 Zn2 - | - C7 H9 N O8 P2 Zn2 - | - C28 H36 N4 O32 P8 Zn8 - | 4 | 1 | Fu, Ruibiao; Hu, Shengmin; Wu, Xintao | Syntheses, crystal structures, thermal stabilities, magnetism and luminescence of two 3D metal phosphonates | CrystEngComm | 2,011 | 13 | 7 | 2331 | 10.1039/c0ce00791a | 0.71073 | MoKα | 0.0714 | 0.0553 | null | null | 0.1031 | 0.1113 | null | null | null | null | null | 1.089 | null | null | has coordinates | Fu, Ruibiao; Hu, Shengmin; Wu, Xintao
Syntheses, crystal structures, thermal stabilities, magnetism and luminescence of two 3D metal phosphonates
CrystEngComm
13(7)
(2011)
2331 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
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2,000,738 | 9.536 | 0.002 | 11.095 | 0.004 | 9.291 | 0.002 | 106.58 | 0.02 | 100.42 | 0.02 | 113.01 | 0.02 | 818.2 | 0.5 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - Al Br3 H18 O18 - | - Al Br3 H18 O18 - | - Al2 Br6 H36 O36 - | 2 | 1 | CR0351 | Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E. | The structure of hexaaquaaluminium(III) bromate trihydrate, [Al(H~2~O)~6~](BrO~3~)~3~.3H~2~O | Acta Crystallographica Section C | 1,992 | 48 | 7 | 1185 | 1188 | 10.1107/S0108270191014804 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Blackburn, A. C.; Gallucci, J. C.; Gerkin, R. E.
The structure of hexaaquaaluminium(III) bromate trihydrate, [Al(H~2~O)~6~](BrO~3~)~3~.3H~2~O
Acta Crystallographica Section C
48(7)
(1992)
1185-1188 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,739 | 9.227 | 0.003 | 10.599 | 0.003 | 11.089 | 0.002 | 74.01 | 0.02 | 67.36 | 0.02 | 77.02 | 0.02 | 953.5 | 0.5 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C12 H54 Cl6 O22 Th2 - | - C12 H54 Cl6 O22 Th2 - | - C12 H54 Cl6 O22 Th2 - | 1 | 0.5 | CD0073 | Rogers, R. D.; Bond, A. H. | Structure of [ThCl(OH)(OH~2~)~6~]~2~Cl~4~.18-crown-6.2H~2~O | Acta Crystallographica Section C | 1,992 | 48 | 7 | 1199 | 1201 | 10.1107/S0108270191014142 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Rogers, R. D.; Bond, A. H.
Structure of [ThCl(OH)(OH~2~)~6~]~2~Cl~4~.18-crown-6.2H~2~O
Acta Crystallographica Section C
48(7)
(1992)
1199-1201 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,000,740 | 10.447 | 0.0006 | 13.947 | 0.002 | 11.296 | 0.003 | 90 | null | 106.1 | 0.01 | 90 | null | 1,581.3 | 0.5 | null | null | null | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C10 H14 Cl2 K N2 O8 Ru - | - C10 H15 Cl2 K N2 O9 Ru - | - C40 H60 Cl8 K4 N8 O36 Ru4 - | 4 | 1 | HA0077 | Taqui Khan, M. M.; Bhadbhade, M. M.; Venkatasubramanian, K.; Siddiqui, M. R. H. | Structure of potassium dichloro(ethylenediaminetetraacetato)ruthenate(III) | Acta Crystallographica Section C | 1,992 | 48 | 7 | 1202 | 1204 | 10.1107/S0108270191013999 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Taqui Khan, M. M.; Bhadbhade, M. M.; Venkatasubramanian, K.; Siddiqui, M. R. H.
Structure of potassium dichloro(ethylenediaminetetraacetato)ruthenate(III)
Acta Crystallographica Section C
48(7)
(1992)
1202-1204 | 278,324 | 2022-10-03 | 14:41:52 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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2,000,741 | 9.11 | 0.004 | 22.472 | 0.009 | 21.01 | 0.01 | 90 | null | 95.28 | 0.04 | 90 | null | 4,283 | 3 | null | null | null | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C29 H20 Cl2 Co7 N O21 Si - | - C29 H20 Cl2 Co7 N O21 Si - | - C116 H80 Cl8 Co28 N4 O84 Si4 - | 4 | 1 | LI0098 | Barris, G. C.; Mackay, K. M.; Nicholson, B. K. | Structure of tetraethylammonium nonacarbonyl-μ~3~-{[dichloro(undecacarbonylcobaltio)silyl]oxymethylidyne}-tricobaltate, [Et~4~N][Cl~2~SiCo~7~(CO)~21~] | Acta Crystallographica Section C | 1,992 | 48 | 7 | 1204 | 1207 | 10.1107/S0108270191013641 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Barris, G. C.; Mackay, K. M.; Nicholson, B. K.
Structure of tetraethylammonium nonacarbonyl-μ~3~-{[dichloro(undecacarbonylcobaltio)silyl]oxymethylidyne}-tricobaltate, [Et~4~N][Cl~2~SiCo~7~(CO)~21~]
Acta Crystallographica Section C
48(7)
(1992)
1204-1207 | 208,377 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $
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7,205,788 | 7.2392 | 0.0011 | 7.256 | 0.002 | 12.9183 | 0.0016 | 73.904 | 0.017 | 77.067 | 0.011 | 70.673 | 0.018 | 608.7 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C15 H7 N O3 S - | - C15 H7 N O3 S - | - C30 H14 N2 O6 S2 - | 2 | 1 | Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa | Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity | CrystEngComm | 2,011 | 13 | 7 | 2604 | 10.1039/c0ce00783h | 0.71069 | MoKα | 0.1438 | 0.064 | null | null | 0.1265 | 0.15 | null | null | null | null | null | 0.92 | null | null | has coordinates | Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa
Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity
CrystEngComm
13(7)
(2011)
2604 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,000,742 | 5.379 | 0.004 | 11.074 | 0.009 | 19.582 | 0.017 | 90 | null | 90 | null | 90 | null | 1,166.4 | 1.6 | null | null | null | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | null | - C6 H18 N2 O6 V2 - | - C6 H18 N2 O6 V2 - | - C24 H72 N8 O24 V8 - | 4 | 0.5 | AB0238 | Tyršelová, J.; Pavelčík, F. | Structure of 1,6-hexanediammonium metavanadate | Acta Crystallographica Section C | 1,992 | 48 | 7 | 1207 | 1209 | 10.1107/S0108270191014269 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Tyršelová, J.; Pavelčík, F.
Structure of 1,6-hexanediammonium metavanadate
Acta Crystallographica Section C
48(7)
(1992)
1207-1209 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,000,743 | 11.258 | 0.003 | 13.586 | 0.003 | 13.969 | 0.003 | 108.77 | 0.02 | 101.69 | 0.02 | 112.07 | 0.01 | 1,742.6 | 0.9 | null | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C35 H21 Au F15 O P - | - C35 H21 Au F15 O P - | - C70 H42 Au2 F30 O2 P2 - | 2 | 1 | HA0089 | Jones, P. G. | [(Methyldiphenylphosphonio)methanide]tris(pentafluorophenyl)gold(III) acetone solvate | Acta Crystallographica Section C | 1,992 | 48 | 7 | 1209 | 1211 | 10.1107/S0108270191013914 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jones, P. G.
[(Methyldiphenylphosphonio)methanide]tris(pentafluorophenyl)gold(III) acetone solvate
Acta Crystallographica Section C
48(7)
(1992)
1209-1211 | 208,360 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $
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2,000,744 | 8.53 | 0.002 | 11.928 | 0.001 | 12.118 | 0.003 | 90 | null | 103.67 | 0.02 | 90 | null | 1,198 | 0.4 | null | null | null | null | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | - C10 H38 Cl2 Co N2 O12 - | - C10 H38 Cl2 Co N2 O12 - | - C20 H76 Cl4 Co2 N4 O24 - | 2 | 0.5 | AS0565 | Chen, X.-M.; Mak, T. C. W. | Structure of <i>trans</i>-tetraaquabis(trimethylammonioacetato)cobalt(II) dichloride tetrahydrate | Acta Crystallographica Section C | 1,992 | 48 | 7 | 1211 | 1214 | 10.1107/S0108270191014373 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Chen, X.-M.; Mak, T. C. W.
Structure of <i>trans</i>-tetraaquabis(trimethylammonioacetato)cobalt(II) dichloride tetrahydrate
Acta Crystallographica Section C
48(7)
(1992)
1211-1214 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,745 | 8.014 | 0.004 | 13.66 | 0.007 | 18.023 | 0.007 | 90 | null | 90 | null | 90 | null | 1,973 | 1.6 | null | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C17 H26 Co N4 S2 - | - C17 H26 Co N4 S2 - | - C68 H104 Co4 N16 S8 - | 4 | 1 | HA0093 | Jupp, K. M.; Raithby, P. R. | Structure of dithiocyanato[({-})-spartein]cobalt(II) | Acta Crystallographica Section C | 1,992 | 48 | 7 | 1214 | 1216 | 10.1107/S0108270191014439 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jupp, K. M.; Raithby, P. R.
Structure of dithiocyanato[({-})-spartein]cobalt(II)
Acta Crystallographica Section C
48(7)
(1992)
1214-1216 | 301,791 | 2025-08-18 | 23:14:59 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,000,746 | 8.794 | 0.003 | 20.333 | 0.007 | 4.247 | 0.002 | 90 | null | 90 | null | 90 | null | 759.4 | 0.5 | null | null | null | null | null | null | null | null | 5 | P m n n | -P 2n 2 | 58 | - C10 H4 Ag N2 S8 - | - C10 H4 Ag N2 S8 - | - C20 H8 Ag2 N4 S16 - | 2 | 0.25 | ST0531 | Morosin, B.; Nigrey, P. J. | Structure of bis(methylenedithio)tetrathiafulvalene dicyanoargentate(I) | Acta Crystallographica Section C | 1,992 | 48 | 7 | 1216 | 1218 | 10.1107/S0108270191014282 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Morosin, B.; Nigrey, P. J.
Structure of bis(methylenedithio)tetrathiafulvalene dicyanoargentate(I)
Acta Crystallographica Section C
48(7)
(1992)
1216-1218 | 206,034 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-02-01 18:39:22 +0200 (Thu, 01 Feb 2018) $
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7,205,787 | 7.665 | 0.003 | 19.245 | 0.007 | 8.027 | 0.002 | 90 | null | 99.656 | 0.014 | 90 | null | 1,167.3 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C13 H8 N2 O3 S - | - C13 H8 N2 O3 S - | - C52 H32 N8 O12 S4 - | 4 | 1 | Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa | Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity | CrystEngComm | 2,011 | 13 | 7 | 2604 | 10.1039/c0ce00783h | 0.71073 | MoKα | 0.063 | 0.0377 | null | null | 0.0821 | 0.0926 | null | null | null | null | null | 1.015 | null | null | has coordinates | Jacob, C.; da Piedade, Fátima M.; Robalo, M. Paula; Duarte, M. Teresa
Evaluation of intermolecular interactions in thioxanthone derivatives: substituent effect on crystal diversity
CrystEngComm
13(7)
(2011)
2604 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301863 $
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2,000,747 | 7.538 | 0.001 | 7.416 | 0.003 | 30.803 | 0.004 | 90 | null | 90 | null | 90 | null | 1,722 | 1 | null | null | null | null | null | null | null | null | 5 | A e m a | -A 2ab 2ab | 64 | - C8 H24 Cd Cl4 N2 - | - C8 Cd Cl4 N2 - | - C32 Cd4 Cl16 N8 - | 4 | 0.25 | MU0240 | Doudin, B.; Chapuis, G. | Structure of bis(<i>n</i>-butylammonium) tetrachlorocadmate(II) | Acta Crystallographica Section C | 1,992 | 48 | 7 | 1218 | 1220 | 10.1107/S010827019101452X | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Doudin, B.; Chapuis, G.
Structure of bis(<i>n</i>-butylammonium) tetrachlorocadmate(II)
Acta Crystallographica Section C
48(7)
(1992)
1218-1220 | 208,233 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-09 17:56:00 +0300 (Sat, 09 Jun 2018) $
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