Crystallography Open Database

Information card for entry 4305983

Preview

Coordinates	4305983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H37 I5 N O4 Pu
Calculated formula	C21 H37 I5 N O4 Pu
SMILES	C1CCC[O]1[Pu](I)([n]1ccccc1)(I)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.I[I-]I
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	12.6162 ± 0.0013 Å
b	22.066 ± 0.002 Å
c	11.8472 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3298.1 ± 0.6 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	6
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	0.0589
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	1.606
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
179097 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/59.	4305983.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305983.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305983.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305983.cif