Crystallography Open Database

Information card for entry 4117671

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Structure parameters

Chemical name	U(V) Ph Ket
Formula	C66 H84 Li N6 U
Calculated formula	C66 H84 Li N6 U
Title of publication	Probing the 5f Orbital Contribution to the Bonding in a U(V) Ketimide Complex
Authors of publication	Lani A. Seaman; Guang Wu; Norman Edelstein; Wayne W. Lukens; Nicola Magnani; Trevor W. Hayton
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	4931 - 4940
a	12.1214 ± 0.0008 Å
b	12.1214 ± 0.0008 Å
c	36.432 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	4635.7 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0524
Weighted residual factors for all reflections included in the refinement	0.0528
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4117671.cif
178947	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/76.	4117671.cif
74792	2013-03-03	cif/ Adding structures of 4117671 via cif-deposit CGI script.	4117671.cif