Crystallography Open Database

Information card for entry 4336980

Preview

Coordinates	4336980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H56 Cl6 Co2 F12 N12 P2
Calculated formula	C54 H56 Cl6 Co2 F12 N12 P2
SMILES	[Co]123([Cl][Co]45([Cl]1)([N](=Nc1[n]5cccc1)c1c(C)cccc1C)[N](=Nc1[n]4cccc1)c1c(C)cccc1C)([N](=Nc1[n]3cccc1)c1c(cccc1C)C)[N](=Nc1[n]2cccc1)c1c(C)cccc1C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].ClCCl.ClCCl
Title of publication	Redox Noninnocence in Coordinated 2-(Arylazo)pyridines: Steric Control of Ligand-Based Redox Processes in Cobalt Complexes
Authors of publication	Pradip Ghosh; Subhas Samanta; Suman K Roy; Sucheta Joy; Tobias Krämer; John E. McGrady; Sreebrata Goswami
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	14040 - 14049
a	13.244 ± 0.007 Å
b	21.071 ± 0.01 Å
c	23.312 ± 0.012 Å
α	90°
β	93.632 ± 0.015°
γ	90°
Cell volume	6492 ± 6 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1734
Weighted residual factors for all reflections included in the refinement	0.1911
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179472 (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 4/33/69.	4336980.cif
103045	2014-02-25	cif/ Adding structures of 4336980 via cif-deposit CGI script.	4336980.cif