Crystallography Open Database

Information card for entry 7214699

Preview

Coordinates	7214699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cl2 Cu2 N2
Calculated formula	C12 H8 Cl2 Cu2 N2
Title of publication	New compounds based on polyoxometalates and metal halide clusters
Authors of publication	Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	24
Pages of publication	8589
a	3.7358 ± 0.0007 Å
b	38.823 ± 0.008 Å
c	16.826 ± 0.004 Å
α	90°
β	95.27 ± 0.03°
γ	90°
Cell volume	2430 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1266
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
180477 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/46.	7214699.cif
110947	2014-04-20	cif/ Adding structures of 7214692, 7214693, 7214694, 7214695, 7214696, 7214697, 7214698, 7214699 via cif-deposit CGI script.	7214699.cif