Crystallography Open Database

Information card for entry 7116857

Preview

Coordinates	7116857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H88 Al N9 O3 U
Calculated formula	C74 H88 Al N9 O3 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	12.5004 ± 0.0002 Å
b	40.0423 ± 0.0006 Å
c	14.2199 ± 0.0002 Å
α	90°
β	105.173 ± 0.002°
γ	90°
Cell volume	6869.57 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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.	7116857.cif
134268	2015-03-23	cif/ Adding structures of 7116856, 7116857, 7116858, 7116859, 7116860, 7116861 via cif-deposit CGI script.	7116857.cif