Crystallography Open Database

Information card for entry 7210414

Preview

Coordinates	7210414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Cu N2 O14 U
Calculated formula	C18 H18 Cu N2 O14 U
Title of publication	Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors
Authors of publication	Thuéry, Pierre
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	33
Pages of publication	6533
a	12.8461 ± 0.0006 Å
b	13.7347 ± 0.0007 Å
c	13.6634 ± 0.0005 Å
α	90°
β	115.429 ± 0.003°
γ	90°
Cell volume	2177.18 ± 0.18 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	0.062
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
180435 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/04.	7210414.cif
87619	2013-08-27	cif/ Adding structures of 7210411, 7210412, 7210413, 7210414, 7210415, 7210416, 7210417, 7210418 via cif-deposit CGI script.	7210414.cif