Crystallography Open Database

Information card for entry 8102267

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Coordinates	8102267.cif

Structure parameters

Formula	C24 H24 Cl2 Cu N16 O8 S16
Calculated formula	C24 H24 Cl2 Cu N16 O8 S16
Title of publication	Crystal structure of 2,2'-(1,2-diethanediyl-bis(thio)-bis-(1,3,4-thiadiazole) copper(II) diperchlorate, [Cu(C6H6N4S4)4][ClO4]2
Authors of publication	Jian-Ge Wang; Jian-Hua Qin; Pu-Zhou Hu; Bang-Tun Zhao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	3
Pages of publication	225
a	10.4488 ± 0.0017 Å
b	10.4744 ± 0.0017 Å
c	12.705 ± 0.002 Å
α	68.694 ± 0.002°
β	76.439 ± 0.002°
γ	74.924 ± 0.002°
Cell volume	1235.6 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	8102267.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.	8102267.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102267.cif
13006	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102267 via cif-deposit CGI script.	8102267.cif