Crystallography Open Database

Information card for entry 4337002

Preview

Coordinates	4337002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H24 Cl4 N2 O2 Pu
Calculated formula	C8 H24 Cl4 N2 O2 Pu
SMILES	[N+](C)(C)(C)C.Cl[Pu](=O)(=O)(Cl)(Cl)Cl.C[N+](C)(C)C
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	9.0962 ± 0.0013 Å
b	9.0962 ± 0.0013 Å
c	11.4129 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	944.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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.	4337002.cif
103068	2014-02-25	cif/ Adding structures of 4337002 via cif-deposit CGI script.	4337002.cif