Crystallography Open Database

Information card for entry 1529391

Preview

Coordinates	1529391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H75 Ce K5 N15
Calculated formula	C83 H75 Ce K5 N15
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	15.2003 ± 0.0012 Å
b	15.4668 ± 0.0012 Å
c	18.0353 ± 0.0015 Å
α	93.849 ± 0.005°
β	101.333 ± 0.005°
γ	107.292 ± 0.005°
Cell volume	3933.7 ± 0.6 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0879
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.157
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	1529391.cif
170973	2015-12-09	cif/ Updating files of 1529389, 1529390, 1529391 Original log message: Adding full bibliography for 1529389--1529391.cif.	1529391.cif
153345	2015-08-12	cif/ Adding structures of 1529389, 1529390, 1529391 via cif-deposit CGI script.	1529391.cif