Crystallography Open Database

Information card for entry 4336978

Preview

Coordinates	4336978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 Cl6 Co N6
Calculated formula	C22 H14 Cl6 Co N6
SMILES	c1(c(cccc1Cl)Cl)/N=N/c1cccc[n]1[Co]([n]1ccccc1/N=N/c1c(cccc1Cl)Cl)(Cl)Cl
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	13.346 ± 0.005 Å
b	13.8 ± 0.005 Å
c	14.367 ± 0.005 Å
α	90 ± 0.005°
β	105.227 ± 0.005°
γ	90 ± 0.005°
Cell volume	2553.1 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	4336978.cif
103043	2014-02-25	cif/ Adding structures of 4336978 via cif-deposit CGI script.	4336978.cif