Crystallography Open Database

Information card for entry 4506790

Preview

Coordinates	4506790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 N2 O6 U
Calculated formula	C14 H8 N2 O6 U
Title of publication	Six-Fold Coordinated Uranyl Cations in Extended Coordination Polymers
Authors of publication	Mihalcea, Ionut; Henry, Natacha; Bousquet, Till; Volkringer, Christophe; Loiseau, Thierry
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	9
Pages of publication	4641
a	5.1366 ± 0.001 Å
b	5.6106 ± 0.0011 Å
c	12.944 ± 0.002 Å
α	95.95 ± 0.01°
β	90.627 ± 0.01°
γ	107.037 ± 0.011°
Cell volume	354.41 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0187
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0445
Weighted residual factors for all reflections included in the refinement	0.0445
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
179603 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/67.	4506790.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506790.cif
71815	2013-01-21	cif/ Adding structures of 4506790 via cif-deposit CGI script.	4506790.cif