Crystallography Open Database

Information card for entry 4328496

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Structure parameters

Formula	C98 H130 K2 N6 U2
Calculated formula	C98 H130 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	12.716 ± 0.002 Å
b	20.127 ± 0.003 Å
c	21.269 ± 0.004 Å
α	80.677 ± 0.003°
β	74.006 ± 0.004°
γ	81.011 ± 0.005°
Cell volume	5127.8 ± 1.5 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4328496.cif
179387	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.	4328496.cif
77474	2013-03-28	cif/ Adding structures of 4328496 via cif-deposit CGI script.	4328496.cif