Crystallography Open Database

Information card for entry 4334880

Preview

Coordinates	4334880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H84 Ce O7
Calculated formula	C58 H84 Ce O7
Title of publication	Synthesis, Electrochemistry, and Reactivity of Cerium(III/IV) Methylene-Bis-Phenolate Complexes
Authors of publication	Brian D. Mahoney; Nicholas A. Piro; Patrick J. Carroll; Eric J. Schelter
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5970 - 5977
a	11.2921 ± 0.0003 Å
b	18.1915 ± 0.0004 Å
c	14.2311 ± 0.0004 Å
α	90°
β	113.226 ± 0.001°
γ	90°
Cell volume	2686.44 ± 0.12 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
179451 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/48.	4334880.cif
100764	2014-02-07	cif/ Adding structures of 4334880 via cif-deposit CGI script.	4334880.cif