Crystallography Open Database

Information card for entry 4331586

Preview

Coordinates	4331586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H76 Cl2 Co2 Fe N16 O17
Calculated formula	C30 H58 Cl2 Co2 Fe N16 O16.99
Title of publication	Dinuclear Cyano-Bridged CoIII−FeIIComplexes as Precursors for Molecular Mixed-Valence Complexes of Higher Nuclearity
Authors of publication	Bernhardt, Paul V.; Bozoglián, Fernando; González, Gabriel; Martínez, Manuel; Macpherson, Brendan P.; Sienra, Beatriz
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	1
Pages of publication	74 - 82
a	15.273 ± 0.002 Å
b	11.297 ± 0.001 Å
c	30.747 ± 0.006 Å
α	90°
β	90.14 ± 0.02°
γ	90°
Cell volume	5305 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.2342
Residual factor for significantly intense reflections	0.1102
Weighted residual factors for significantly intense reflections	0.3212
Weighted residual factors for all reflections included in the refinement	0.3854
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
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
179418 (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 4/33/15.	4331586.cif
97720	2014-01-29	cif/ Adding structures of 4331585, 4331586, 4331587 via cif-deposit CGI script.	4331586.cif