Crystallography Open Database

Information card for entry 1529389

Preview

Coordinates	1529389.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H60 Ce Li4 N12
Calculated formula	C68 H60 Ce Li4 N12
Title of publication	Control of cerium oxidation state through metal complex secondary structures
Authors of publication	Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	12
Pages of publication	6925
a	11.4483 ± 0.0007 Å
b	43.06 ± 0.002 Å
c	24.522 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	12088.5 ± 1.2 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.0639
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1529389.cif
170973	2015-12-09	cif/ Updating files of 1529389, 1529390, 1529391 Original log message: Adding full bibliography for 1529389--1529391.cif.	1529389.cif
153345	2015-08-12	cif/ Adding structures of 1529389, 1529390, 1529391 via cif-deposit CGI script.	1529389.cif