Crystallography Open Database

Information card for entry 7116856

Preview

Coordinates	7116856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H97 Al N10 O2 U
Calculated formula	C93 H97 Al N10 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	21.6483 ± 0.0002 Å
b	15.4318 ± 0.0002 Å
c	24.4807 ± 0.0002 Å
α	90°
β	98.594 ± 0.001°
γ	90°
Cell volume	8086.5 ± 0.15 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7116856.cif
134268	2015-03-23	cif/ Adding structures of 7116856, 7116857, 7116858, 7116859, 7116860, 7116861 via cif-deposit CGI script.	7116856.cif