Crystallography Open Database

Information card for entry 4515790

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Coordinates	4515790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H120 Co2 N7 O34 V W9
Calculated formula	C56 H120 Co2 N7 O34 V W9
Title of publication	Speciation and Dynamics in the [Co4V2W18O68]10‒/Co(II)aq/CoOx Catalytic Water Oxidation System
Authors of publication	Sullivan, Kevin P.; Wieliczko, Marika; Kim, Mooeung; Yin, Qiushi; Collins-Wildman, Daniel L.; Mehta, Anil K.; Bacsa, John; Lu, Xinlin; Geletii, Yurii V.; Hill, Craig L.
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	12
Pages of publication	11952
a	14.4162 ± 0.0002 Å
b	32.8597 ± 0.0006 Å
c	20.2434 ± 0.0004 Å
α	90°
β	109.886 ± 0.002°
γ	90°
Cell volume	9017.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1281
Residual factor for significantly intense reflections	0.1151
Weighted residual factors for significantly intense reflections	0.2831
Weighted residual factors for all reflections included in the refinement	0.2904
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation probe	x-ray
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
225906 (current)	2019-11-10	cif/ Adding structures of 4515790 via cif-deposit CGI script.	4515790.cif