Crystallography Open Database

Information card for entry 4326620

Preview

Coordinates	4326620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br4 Cs2 O2 U
Calculated formula	Br4 Cs2 O2 U
SMILES	[U](Br)(=O)(=O)(Br)(Br)Br.[Cs+].[Cs+]
Title of publication	Structural Studies Coupling X-ray Diffraction and High-Energy X-ray Scattering in the UO22±HBraq System
Authors of publication	Richard E. Wilson; S. Skanthakumar; C. L. Cahill; L. Soderholm
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10748 - 10754
a	6.3504 ± 0.001 Å
b	9.7421 ± 0.0016 Å
c	9.9266 ± 0.0016 Å
α	90°
β	104.51 ± 0.002°
γ	90°
Cell volume	594.53 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
179369 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/66.	4326620.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326620.cif
49394	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326620 via cif-deposit CGI script.	4326620.cif