Crystallography Open Database

Information card for entry 7214695

Preview

Coordinates	7214695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H104 Br4 Cu9 N24 O44 P W12
Calculated formula	C144 H96 Br4 Cu9 N24 O44 P 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	15.2219 ± 0.0015 Å
b	16.0271 ± 0.0016 Å
c	18.164 ± 0.0019 Å
α	74.681 ± 0.002°
β	74.614 ± 0.002°
γ	66.136 ± 0.001°
Cell volume	3844.9 ± 0.7 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	0.1013
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1583
Weighted residual factors for all reflections included in the refinement	0.1807
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.	7214695.cif
110947	2014-04-20	cif/ Adding structures of 7214692, 7214693, 7214694, 7214695, 7214696, 7214697, 7214698, 7214699 via cif-deposit CGI script.	7214695.cif