Crystallography Open Database

Information card for entry 4105615

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Coordinates	4105615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 N4 O40 Si V2 W10
Calculated formula	C64 N4 O40 Si V2 W10
Title of publication	Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates
Authors of publication	Kazuhiro Uehara; Noritaka Mizuno
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	1622 - 1625
a	18.7387 ± 0.0002 Å
b	21.4365 ± 0.0003 Å
c	25.4175 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	10210 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178802 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/56.	4105615.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105615.cif
52375	2012-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4105615 via cif-deposit CGI script.	4105615.cif