Crystallography Open Database

Information card for entry 8102254

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Coordinates	8102254.cif

Structure parameters

Formula	C4 H4 Cu N6 O6 S2
Calculated formula	C4 H4 Cu N6 O6 S2
Title of publication	Crystal structure of catena-(1,3,4-thiadiazole)copper(II)-(m-nitrato) nitrate, [Cu(C2H2N2S)2(NO3)][NO3]
Authors of publication	Pu-Zhou Hu; Jian-Hua Qin; Jian-Ge Wang; Bang-Tun Zhao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	2
Pages of publication	129
a	7.1346 ± 0.0017 Å
b	10.649 ± 0.003 Å
c	7.34 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	557.7 ± 0.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	51
Hermann-Mauguin space group symbol	P m m a
Hall space group symbol	-P 2a 2a
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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.	8102254.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.	8102254.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102254.cif
12993	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102254 via cif-deposit CGI script.	8102254.cif