Crystallography Open Database

Information card for entry 4107533

Preview

Coordinates	4107533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 I2 N2 O2 P2 U
Calculated formula	C46 H34 I2 N2 O2 P2 U
Title of publication	Imido Exchange in Bis(imido) Uranium(VI) Complexes with Aryl Isocyanates
Authors of publication	Liam P. Spencer; Ping Yang; Brian L. Scott; Enrique R. Batista; James M. Boncella
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	2930 - 2931
a	11.6501 ± 0.0015 Å
b	21.343 ± 0.003 Å
c	18.28 ± 0.002 Å
α	90°
β	99.423 ± 0.002°
γ	90°
Cell volume	4484 ± 1 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	7
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	0.0864
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.336
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
178821 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/75.	4107533.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107533.cif
55219	2012-05-04	cif/ Adding structures of 4107533 via cif-deposit CGI script.	4107533.cif