Crystallography Open Database

Information card for entry 1566068

Preview

Coordinates	1566068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Cl2 Co N8 S2
Calculated formula	C20 H20 Cl2 Co N8 S2
SMILES	[Co](Cl)(Cl)([n]1c(n(C2=NCCS2)c2c1cccc2)N)[n]1c(n(C2=NCCS2)c2c1cccc2)N
Title of publication	Cobalt(II) complexes derived from a 2-aminobenzimidazole-thiazoline ligand: Synthesis, characterization, crystal structures and antimicrobial activity studies
Authors of publication	Moreno-Alvero, M.; Luna-Giles, F.; Barros-García, F.J.; Viñuelas-Zahínos, E.; Fernández-Calderón, M.C.
Journal of publication	Polyhedron
Year of publication	2021
Journal volume	207
Pages of publication	115390
a	9.1904 ± 0.0003 Å
b	11.3464 ± 0.0004 Å
c	12.1781 ± 0.0004 Å
α	83.817 ± 0.002°
β	68.057 ± 0.001°
γ	81.985 ± 0.002°
Cell volume	1164.26 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0376
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
272158 (current)	2022-01-20	cif/ Adding structures of 1566066, 1566067, 1566068 via cif-deposit CGI script.	1566068.cif