Crystallography Open Database

Information card for entry 8100919

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Coordinates	8100919.cif

Structure parameters

Formula	C28 H64 Cd4 N24 O24 S12
Calculated formula	C28 H64 Cd4 N24 O24 S12
SMILES	[Cd]12([S]=C(N)N)([S]=C(N)N)([S]=C(N)N)OC(=O)[C@@H]([C@H](C(=O)[O-])[OH]2)[OH]1.[Cd]12([S]=C(N)N)([S]=C(N)N)([S]=C(N)N)OC(=O)[C@H]([C@@H](C(=O)[O-])[OH]2)[OH]1
Title of publication	Crystal structure of (DL)-trithioureatartrato-O^1^,O^2^,O^3^-cadmium, C~28~H~64~Cd~4~N~24~O~24~S~12~
Authors of publication	Zhou, Mei; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong; Wang, Xin Qiang; Gou, Shi Yi; Meng, Fan Qing
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2001
Journal volume	216
Journal issue	2
Pages of publication	201 - 204
a	17.732 ± 0.002 Å
b	17.9054 ± 0.0016 Å
c	20.6992 ± 0.0019 Å
α	90°
β	94.111 ± 0.009°
γ	90°
Cell volume	6555 ± 1.1 Å³
Cell temperature	568 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8100919.cif
103185	2014-02-27	cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100919.cif
100679	2014-02-06	cif/8/ (antanas@lokys.ibt.lt) Adding paper volume.	8100919.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100919.cif
5310	2011-01-02	cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case.	8100919.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	8100919.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	8100919.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	8100919.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100919.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	8100919.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	8100919.cif