Crystallography Open Database

Information card for entry 7116860

Preview

Coordinates	7116860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H62 B0 N12 Na O2 U
Calculated formula	C62 H62 N12 Na 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	14.427 ± 0.005 Å
b	24.602 ± 0.005 Å
c	23.182 ± 0.005 Å
α	90 ± 0.005°
β	90.881 ± 0.005°
γ	90 ± 0.005°
Cell volume	8227 ± 4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0908
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
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.	7116860.cif
134268	2015-03-23	cif/ Adding structures of 7116856, 7116857, 7116858, 7116859, 7116860, 7116861 via cif-deposit CGI script.	7116860.cif