Crystallography Open Database

Information card for entry 7210417

Preview

Coordinates	7210417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 Cu2 N6 O23 U2
Calculated formula	C34 H30 Cu2 N6 O23 U2
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	8.2402 ± 0.0004 Å
b	18.2164 ± 0.0014 Å
c	14.1658 ± 0.0011 Å
α	90°
β	91.122 ± 0.004°
γ	90°
Cell volume	2126 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7210417.cif
87619	2013-08-27	cif/ Adding structures of 7210411, 7210412, 7210413, 7210414, 7210415, 7210416, 7210417, 7210418 via cif-deposit CGI script.	7210417.cif