Crystallography Open Database

Information card for entry 4308126

Preview

Coordinates	4308126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca2 H18 O17 U
Calculated formula	Ca2 O17 U
SMILES	O=[U]123(OO1)(OO3)(=O)OO2.O.O.O.[Ca+2].O.O.O.O.O.[Ca+2].O
Title of publication	Expanding the Crystal Chemistry of Uranyl Peroxides: Synthesis and Structures of Di- and Triperoxodioxouranium(VI) Complexes
Authors of publication	Karrie-Ann Kubatko; Tori Z. Forbes; Amanda L. Klingensmith; Peter C. Burns
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	3657 - 3662
a	9.576 ± 0.003 Å
b	12.172 ± 0.003 Å
c	12.314 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1435.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.167
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	0.46
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4308126.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308126.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308126.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308126.cif