Crystallography Open Database

Information card for entry 4336979

Preview

Coordinates	4336979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 Cl5 Co N6
Calculated formula	C22 H14 Cl5 Co N6
SMILES	[Co]12(Cl)([N](=Nc3[n]2cccc3)c2c(Cl)cccc2Cl)[N](=Nc2[n]1cccc2)c1c(Cl)cccc1Cl
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	14.09 ± 0.005 Å
b	14.745 ± 0.005 Å
c	23.495 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	4881 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	4336979.cif
103044	2014-02-25	cif/ Adding structures of 4336979 via cif-deposit CGI script.	4336979.cif