Crystallography Open Database

Information card for entry 4336981

Preview

Coordinates	4336981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 Co N6
Calculated formula	C27 H29 Co N6
SMILES	[Co]12([N](c3c(cccc3C)C)=Nc3[n]1cccc3)([n]1c(N=[N]2c2c(C)cccc2C)cccc1)C
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	8.02 ± 0.0006 Å
b	16.8828 ± 0.0013 Å
c	37.398 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5063.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P b c 21
Hall space group symbol	P 2c -2b
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1308
Goodness-of-fit parameter for all reflections included in the refinement	0.846
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.	4336981.cif
103046	2014-02-25	cif/ Adding structures of 4336981 via cif-deposit CGI script.	4336981.cif