Crystallography Open Database

Information card for entry 4328491

Preview

Coordinates	4328491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H128 I K2 N6 U2
Calculated formula	C91 H128 I K2 N6 U2
Title of publication	μ-η6,η6-Arene-Bridged Diuranium Hexakisketimide Complexes Isolable in Two States of Charge
Authors of publication	Paula L. Diaconescu; Christopher C. Cummins
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2902 - 2916
a	14.965 ± 0.004 Å
b	12.845 ± 0.003 Å
c	27.007 ± 0.007 Å
α	90°
β	96.342 ± 0.004°
γ	90°
Cell volume	5160 ± 2 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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	0.04
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328491.cif
77469	2013-03-28	cif/ Adding structures of 4328491 via cif-deposit CGI script.	4328491.cif