Crystallography Open Database

Information card for entry 4107534

Preview

Coordinates	4107534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H54 Cl2 I2 N2 O2 P2 U
Calculated formula	C54 H52 I2 N2 O2 P2 U
SMILES	c1(ccccc1)P(c1ccccc1)(=[O][U](I)(I)(=Nc1c(cc(cc1C)C)C)(=Nc1c(cc(cc1C)C)C)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
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	10.7202 ± 0.0019 Å
b	11.445 ± 0.002 Å
c	12.29 ± 0.002 Å
α	97.471 ± 0.002°
β	112.773 ± 0.002°
γ	101.48 ± 0.002°
Cell volume	1326.3 ± 0.4 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	0.893
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
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.	4107534.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107534.cif
55220	2012-05-04	cif/ Adding structures of 4107534 via cif-deposit CGI script.	4107534.cif