Crystallography Open Database

Information card for entry 7229468

Preview

Coordinates	7229468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 Br2 Cu N5 O
Calculated formula	C16 H19 Br2 Cu N5 O
SMILES	[Cu]12([n]3c([nH]c4ccccc34)N(C)[N]1=C(C)c1[n]2cccc1)(Br)Br.CO
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	9.6841 ± 0.0012 Å
b	10.0927 ± 0.0009 Å
c	10.4709 ± 0.0009 Å
α	91.231 ± 0.007°
β	92.328 ± 0.008°
γ	117.823 ± 0.011°
Cell volume	903.4 ± 0.18 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
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
202515 (current)	2017-11-02	cif/ Adding structures of 7229467, 7229468, 7229469, 7229470, 7229471, 7229472 via cif-deposit CGI script.	7229468.cif