Crystallography Open Database

Information card for entry 4116534

Preview

Coordinates	4116534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H94 N14 O91 P2 U2 W18
Calculated formula	O105 P2 U2 W18
Title of publication	Cation-Directed Structure Changes in Polyoxometalate Chemistry. Equilibria between Isomers of Bis(9-tungstophosphatodioxouranate(VI)) Complexes
Authors of publication	Kee-Chan Kim; Michael T. Pope
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	8512 - 8517
a	12.601 ± 0.0017 Å
b	20.175 ± 0.003 Å
c	35.124 ± 0.008 Å
α	90°
β	99.056 ± 0.019°
γ	90°
Cell volume	8818 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0839
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178936 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/65.	4116534.cif
72659	2013-01-25	cif/ Adding structures of 4116534 via cif-deposit CGI script.	4116534.cif