Crystallography Open Database

Information card for entry 4510664

Preview

Coordinates	4510664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H5 O17 U3
Calculated formula	C13 H5 O17 U3
Title of publication	Mixed Formate-Dicarboxylate Coordination Polymers with Tetravalent Uranium: Occurrence of Tetranuclear {U4O4} and Hexanuclear {U6O4(OH)4} Motifs
Authors of publication	Falaise, Clément; Volkringer, Christophe; Loiseau, Thierry
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	7
Pages of publication	3225
a	10.6636 ± 0.0003 Å
b	13.3253 ± 0.0003 Å
c	20.0859 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2854.12 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.252
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.	4510664.cif
113116	2014-05-08	cif/ Adding structures of 4510664 via cif-deposit CGI script.	4510664.cif