Crystallography Open Database

Information card for entry 7230005

Preview

Coordinates	7230005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Co4 H52 K10 O94 V2 W18
Calculated formula	Co4 H4 K10 O94 V2 W18
Title of publication	Cobalt-to-vanadium charge transfer in polyoxometalate water oxidation catalysts revealed by 2p3d resonant inelastic X-ray scattering.
Authors of publication	Liu, Boyang; Glass, Elliot N.; Wang, Ru-Pan; Cui, Yi-Tao; Harada, Yoshihisa; Huang, Di-Jing; Schuppler, Stefan; Hill, Craig L.; de Groot, Frank M. F.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2018
Journal volume	20
Journal issue	6
Pages of publication	4554 - 4562
a	12.3089 ± 0.0003 Å
b	21.3544 ± 0.0005 Å
c	15.6623 ± 0.0004 Å
α	90°
β	92.315 ± 0.001°
γ	90°
Cell volume	4113.46 ± 0.17 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.0604
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
230923 (current)	2019-11-17	cif/ Updating files of 7230005, 7230006 Original log message: Adding full bibliography for 7230005--7230006.cif.	7230005.cif
205528	2018-01-24	cif/ Adding structures of 7230005 via cif-deposit CGI script.	7230005.cif