Crystallography Open Database

Information card for entry 4331760

Preview

Coordinates	4331760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H41 N2 O21.5 S3 U2
Calculated formula	C29 H38 N2 O21.5 S3 U2
Title of publication	Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate
Authors of publication	Pierre Thuéry
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	435 - 447
a	14.8569 ± 0.0007 Å
b	16.3899 ± 0.0007 Å
c	20.0779 ± 0.0008 Å
α	88.442 ± 0.003°
β	70.273 ± 0.002°
γ	66.815 ± 0.002°
Cell volume	4198.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	4331760.cif
97864	2014-01-29	cif/ Adding structures of 4331760 via cif-deposit CGI script.	4331760.cif