Crystallography Open Database

Information card for entry 7212780

Preview

Coordinates	7212780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H18 K2 Na7 O50 Ru S3 V2 W7
Calculated formula	C6 H18 K2 Na5.5 O50 Ru S3 V2 W7
SMILES	[K+].[K+].O.[Na+].O.[V](=O)([O-])([O-])[O-].[Na+].O.[Na+].O.O.O.[Na+].O.O.O.[Na+].[Na+].O.O.O.O.O.O.C[S](=O)(C)[Ru]12([S](=O)(C)C)([S](=O)(C)C)[O]=[V]34O[W]56(O[W]78(=O)(=O)O[W]9(O7)(=O)(=O)[O]7[W](O3)(O9)(=O)(=O)O[W]39(O[W]%107([O]58)(=O)[O]43[W](O6)(=O)(=[O]2)(O9)O%10)(=O)=[O]1)(=O)=O
Title of publication	A novel heptatungstovanadate fragment stabilized by organo-ruthenium group: [HVW7O28Ru(dmso)3]6−
Authors of publication	Bi, Li-Hua; Wang, Bin; Hou, Guang-Feng; Li, Bao; Wu, Li-Xin
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	11
Pages of publication	3511
a	15.015 ± 0.003 Å
b	23.777 ± 0.005 Å
c	16.319 ± 0.003 Å
α	90°
β	92.23 ± 0.03°
γ	90°
Cell volume	5822 ± 2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1084
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
180458 (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 7/21/27.	7212780.cif
93275	2014-01-12	cif/ Adding structures of 7212780 via cif-deposit CGI script.	7212780.cif