Crystallography Open Database

Information card for entry 4105617

Preview

Coordinates	4105617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 Cl4 N4 O40 Si V2 W10
Calculated formula	C68 Cl4 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	35.6802 ± 0.0004 Å
b	35.6802 ± 0.0004 Å
c	16.9427 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	21569.4 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 K
Number of distinct elements	7
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.1683
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
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.	4105617.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105617.cif
52377	2012-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4105617 via cif-deposit CGI script.	4105617.cif