Crystallography Open Database

Information card for entry 4117668

Preview

Coordinates	4117668.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	U(IV) Ph Ket
Formula	C63 H86 Li N5 O2 U
Calculated formula	C63 H77 Li N5 O2 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	13.2886 ± 0.0013 Å
b	13.9258 ± 0.0014 Å
c	18.2372 ± 0.0017 Å
α	76.405 ± 0.005°
β	77.74 ± 0.005°
γ	65.596 ± 0.004°
Cell volume	2961.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
178947 (current)	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.	4117668.cif
74789	2013-03-03	cif/ Adding structures of 4117668 via cif-deposit CGI script.	4117668.cif