Crystallography Open Database

Information card for entry 4331757

Preview

Coordinates	4331757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H40 N4 O24 S3 U2
Calculated formula	C41 H34 N4 O24 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	10.743 ± 0.004 Å
b	32.178 ± 0.002 Å
c	14.3508 ± 0.001 Å
α	90°
β	100.324 ± 0.004°
γ	90°
Cell volume	4880.6 ± 1.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1701
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1656
Weighted residual factors for all reflections included in the refinement	0.1916
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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
179420 (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 4/33/17.	4331757.cif
97862	2014-01-29	cif/ Adding structures of 4331757 via cif-deposit CGI script.	4331757.cif