Crystallography Open Database

Information card for entry 4337938

Preview

Coordinates	4337938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 N4 O40 Si V2 W10
Calculated formula	C67 N4 O40 Si V2 W10
Title of publication	Effects of Heteroatoms on Electronic States of Divanadium-Substituted γ-Keggin-type Polyoxometalates.
Authors of publication	Uehara, Kazuhiro; Miyachi, Takuya; Nakajima, Takahito; Mizuno, Noritaka
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	7
Pages of publication	3907
a	24.6549 ± 0.0002 Å
b	25.1382 ± 0.0002 Å
c	17.2005 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	10660.5 ± 0.14 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179482 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/79.	4337938.cif
109925	2014-04-17	cif/ Updating files of 4337933, 4337934, 4337935, 4337936, 4337937, 4337938 Original log message: Adding full bibliography for 4337933--4337938.cif.	4337938.cif
108496	2014-04-02	cif/ Adding structures of 4337933, 4337934, 4337935, 4337936, 4337937, 4337938 via cif-deposit CGI script.	4337938.cif