Crystallography Open Database

Information card for entry 7210413

Preview

Coordinates	7210413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 N6 Ni O25 U2
Calculated formula	C46 H42 N6 Ni O25 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	8.2664 ± 0.0002 Å
b	24.604 ± 0.0009 Å
c	25.7372 ± 0.001 Å
α	90°
β	91.575 ± 0.002°
γ	90°
Cell volume	5232.6 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0507
Weighted residual factors for all reflections included in the refinement	0.0543
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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.	7210413.cif
87619	2013-08-27	cif/ Adding structures of 7210411, 7210412, 7210413, 7210414, 7210415, 7210416, 7210417, 7210418 via cif-deposit CGI script.	7210413.cif