Crystallography Open Database

Information card for entry 7214696

Preview

Coordinates	7214696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H102 B Cu8 I3 N24 O43 W12
Calculated formula	C144 H96 B Cu8 I3 N24 O43 W12
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	15.621 ± 0.004 Å
b	17.01 ± 0.004 Å
c	18.068 ± 0.005 Å
α	63.185 ± 0.004°
β	67.472 ± 0.004°
γ	76.774 ± 0.004°
Cell volume	3948.6 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1988
Residual factor for significantly intense reflections	0.0884
Weighted residual factors for significantly intense reflections	0.1929
Weighted residual factors for all reflections included in the refinement	0.2553
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	7214696.cif
110947	2014-04-20	cif/ Adding structures of 7214692, 7214693, 7214694, 7214695, 7214696, 7214697, 7214698, 7214699 via cif-deposit CGI script.	7214696.cif