Crystallography Open Database

Information card for entry 7229471

Preview

Coordinates	7229471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 Cl2 Co N5 O
Calculated formula	C17 H21 Cl2 Co N5 O
SMILES	[Co]12([n]3c([nH]c4ccccc34)N(C)[N]1=C(C)c1[n]2cccc1)(Cl)Cl.OCC
Title of publication	Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand
Authors of publication	Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta
Journal of publication	RSC Advances
Year of publication	2017
Journal volume	7
Journal issue	80
Pages of publication	50858
a	11.59108 ± 0.00013 Å
b	15.95415 ± 0.00019 Å
c	20.3432 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3761.98 ± 0.08 Å³
Cell temperature	130 ± 1 K
Ambient diffraction temperature	130 ± 1 K
Number of distinct elements	6
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	0.0499
Weighted residual factors for significantly intense reflections	0.1488
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202515 (current)	2017-11-02	cif/ Adding structures of 7229467, 7229468, 7229469, 7229470, 7229471, 7229472 via cif-deposit CGI script.	7229471.cif