Crystallography Open Database

Information card for entry 8103249

Preview

Coordinates	8103249.cif

Structure parameters

Formula	C20 H14 Cu N10 O14 S4
Calculated formula	C20 H14 Cu N10 O14 S4
Title of publication	Crystal structure of catena-{2,2'-[ethylene-1,2-dithio]-bis(5-methyl-1,3,4-thiadiazole)}bis(2,4,6-trinitro- phenolate)copper(II), Cu(C8H10N4S4)(C6H2N3O7)2
Authors of publication	Pu-Zhou Hu; Xiang-Dong Han
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	459
a	8.9671 ± 0.0012 Å
b	9.2622 ± 0.0012 Å
c	10.6485 ± 0.0014 Å
α	66.876 ± 0.001°
β	85.434 ± 0.002°
γ	70.606 ± 0.001°
Cell volume	765.89 ± 0.17 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	8103249.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.	8103249.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103249.cif
32591	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103249 via cif-deposit CGI script.	8103249.cif