Crystallography Open Database

Information card for entry 4305981

Preview

Coordinates	4305981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br3 H12 O6 Pu
Calculated formula	Br3 H12 O6 Pu
SMILES	[OH2][Pu]([OH2])(Br)([OH2])([OH2])([OH2])([OH2])Br.[Br-]
Title of publication	Low-Valent Molecular Plutonium Halide Complexes
Authors of publication	Andrew J. Gaunt; Sean D. Reilly; Alejandro E. Enriquez; Trevor W. Hayton; James M. Boncella; Brian L. Scott; Mary P. Neu
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8412 - 8419
a	8.2148 ± 0.001 Å
b	6.7824 ± 0.0008 Å
c	10.0325 ± 0.0012 Å
α	90°
β	93.776 ± 0.001°
γ	90°
Cell volume	557.76 ± 0.12 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0197
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0467
Weighted residual factors for all reflections included in the refinement	0.0473
Goodness-of-fit parameter for all reflections included in the refinement	1.206
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.	4305981.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305981.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305981.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305981.cif