Crystallography Open Database

Information card for entry 7029532

Preview

Coordinates	7029532.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SVMo final
Formula	C96 H216 Mo22 N6 O81.5 S2 V2
Calculated formula	C96 H216 Mo22 N6 O81.5 S2 V2
Title of publication	Structurally characterised vanadium(v)-substituted Keggin-type heteropolysulfates [SVM11O40](3-) (M = Mo, W): voltammetric and spectroscopic studies related to the V(v)/V(iv) redox couple.
Authors of publication	Ueda, Tadaharu; Nambu, Jun-Ichi; Lu, Jinzhen; Guo, Si-Xuan; Li, Qi; Boas, John F.; Martin, Lisandra L.; Bond, Alan M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	14
Pages of publication	5462 - 5473
a	49.3884 ± 0.0012 Å
b	14.0771 ± 0.0004 Å
c	26.1812 ± 0.0007 Å
α	90°
β	114.793 ± 0.003°
γ	90°
Cell volume	16524.6 ± 0.9 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1769
Weighted residual factors for all reflections included in the refinement	0.1861
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7029532.cif
108341	2014-03-30	cif/ Adding structures of 7029532, 7029533 via cif-deposit CGI script.	7029532.cif