Crystallography Open Database

Information card for entry 4337001

Preview

Coordinates	4337001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl4 Cs2 O2 Pu
Calculated formula	Cl4 Cs2 O2 Pu
SMILES	Cl[Pu](=O)(=O)(Cl)(Cl)Cl.[Cs+].[Cs+]
Title of publication	Structural and Vibrational Properties of U(VI)O2Cl42- and Pu(VI)O2Cl42- Complexes
Authors of publication	David D. Schnaars; Richard E. Wilson
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	14138 - 14147
a	11.785 ± 0.002 Å
b	7.6934 ± 0.0013 Å
c	5.7285 ± 0.001 Å
α	90°
β	97.856 ± 0.002°
γ	90°
Cell volume	514.51 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0191
Residual factor for significantly intense reflections	0.0189
Weighted residual factors for significantly intense reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections included in the refinement	1.323
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
179473 (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 4/33/70.	4337001.cif
103067	2014-02-25	cif/ Adding structures of 4337001 via cif-deposit CGI script.	4337001.cif