Crystallography Open Database

Information card for entry 4331750

Preview

Coordinates	4331750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 N4 O17 S2 U
Calculated formula	C34 H36 N4 O17 S2 U
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	24.4982 ± 0.0003 Å
b	9.9823 ± 0.0002 Å
c	18.6719 ± 0.0003 Å
α	90°
β	122.155 ± 0.0009°
γ	90°
Cell volume	3865.8 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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.	4331750.cif
97859	2014-01-29	cif/ Adding structures of 4331750 via cif-deposit CGI script.	4331750.cif