Crystallography Open Database

Information card for entry 7116859

Preview

Coordinates	7116859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84.47 H84.47 Li0.87 N16.49 O2 U
Calculated formula	C84.392 H84.392 Li0.8696 N16.4784 O2 U
Title of publication	Catalytic one-electron reduction of uranyl(VI) to Group 1 uranyl(V) complexes via Al(III) coordination
Authors of publication	Markus Zegke; Gary S. Nichol; Polly L. Arnold; Jason B. Love
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	5876
a	14.2782 ± 0.0005 Å
b	24.4176 ± 0.0006 Å
c	22.8717 ± 0.0007 Å
α	90°
β	90.634 ± 0.003°
γ	90°
Cell volume	7973.5 ± 0.4 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0762
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
180282 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/68.	7116859.cif
134268	2015-03-23	cif/ Adding structures of 7116856, 7116857, 7116858, 7116859, 7116860, 7116861 via cif-deposit CGI script.	7116859.cif