Crystallography Open Database

Information card for entry 8106109

Preview

Coordinates	8106109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Co2 N6 O3 S3
Calculated formula	C24 H24 Co2 N6 O3 S3
SMILES	[Co]12345([Co]6([n]7c(CC[O]56)cccc7)(N=C=S)(N=C=S)([O]3CCc3[n]1cccc3)[O]4CCc1[n]2cccc1)N=C=S
Title of publication	Crystal structure of tris(μ2-2-(pyridin-2-yl)ethan-1-olato-κ3 N,O:O)-trithiocyanato-κN-dicobalt(III), C24H24Co2N6O3S3
Authors of publication	Yanfei, Wang; Nana, Liu; Qingyun, Liu; Liguo, Yang; Aimin, Wei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	233 - 234
a	10.5658 ± 0.0009 Å
b	11.1693 ± 0.0011 Å
c	11.7054 ± 0.0014 Å
α	79.2 ± 0.001°
β	84.714 ± 0.001°
γ	89.519 ± 0.002°
Cell volume	1351.1 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0818
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1
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
279313 (current)	2022-11-16	cif/ Adding structures of 8106109 via cif-deposit CGI script.	8106109.cif