Crystallography Open Database

Information card for entry 4117669

Preview

Coordinates	4117669.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	U(IV) tBu Ket
Formula	C49 H98 Li N5 O U
Calculated formula	C49 H77 Li N5 O 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	13.8905 ± 0.0004 Å
b	14.6036 ± 0.0004 Å
c	25.8603 ± 0.0007 Å
α	90°
β	92.184 ± 0.001°
γ	90°
Cell volume	5242 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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.	4117669.cif
74790	2013-03-03	cif/ Adding structures of 4117669 via cif-deposit CGI script.	4117669.cif