Crystallography Open Database

Information card for entry 4330262

Preview

Coordinates	4330262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H18 O17 S2 U
Calculated formula	O17 S2 U
SMILES	[U]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])(OS(=O)(=O)[O-])OS(=O)(=O)[O-].O.O
Title of publication	Uranium(IV) Sulfates: Investigating Structural Periodicity in the Tetravalent Actinides
Authors of publication	David D. Schnaars; Richard E. Wilson
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9481 - 9490
a	7.1755 ± 0.001 Å
b	12.0865 ± 0.0016 Å
c	7.9343 ± 0.0011 Å
α	90°
β	97.853 ± 0.002°
γ	90°
Cell volume	681.66 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
179405 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/02.	4330262.cif
79513	2013-04-05	cif/ Adding structures of 4330262 via cif-deposit CGI script.	4330262.cif