Crystallography Open Database

Information card for entry 4331770

Preview

Coordinates	4331770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Cu2 N4 O28 S4 U2
Calculated formula	C36 H30 Cu2 N4 O28 S4 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	9.0904 ± 0.0005 Å
b	11.3426 ± 0.0007 Å
c	13.3583 ± 0.0007 Å
α	73.018 ± 0.003°
β	78.884 ± 0.003°
γ	67.506 ± 0.002°
Cell volume	1211.95 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	4331770.cif
97874	2014-01-29	cif/ Adding structures of 4331770 via cif-deposit CGI script.	4331770.cif