Crystallography Open Database

Information card for entry 8102413

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Coordinates	8102413.cif

Structure parameters

Formula	C56 H88 Cd4 N32 O28 S12
Calculated formula	C56 H88 Cd4 N32 O28 S12
Title of publication	Crystal structure of catena-poly[diaqua-bis(4-formylpyridinethiosemicarbazone-N,S)cadmium(II)] sulfate hydrate, [Cd(H2O)2(C7H8N3S)2][SO4] · H2O
Authors of publication	Jian-Ying Zhao; Guo-Dong Tang; Rong-Qing Li; Zai-Chao Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	2
Pages of publication	205
a	13.6879 ± 0.0006 Å
b	18.6173 ± 0.0008 Å
c	18.247 ± 0.0007 Å
α	90°
β	90.392 ± 0.001°
γ	90°
Cell volume	4649.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.1591
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102413.cif
176728	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.	8102413.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102413.cif
13152	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102413 via cif-deposit CGI script.	8102413.cif