Crystallography Open Database

Information card for entry 2242375

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Structure parameters

Chemical name	Hexakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[trichlorido(quinoline-κ<i>N</i>)cobaltate(II)]
Formula	C30 H50 Cl6 Co3 N2 O6 S6
Calculated formula	C30 H50 Cl6 Co3 N2 O6 S6
SMILES	[Co](Cl)(Cl)(Cl)[n]1cccc2c1cccc2.[Co]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[Co](Cl)(Cl)(Cl)[n]1cccc2ccccc12
Title of publication	Crystal structure of hexakis(dimethyl sulfoxide-κ<i>O</i>)cobalt(II) bis[trichlorido(quinoline-κ<i>N</i>)cobaltate(II)]
Authors of publication	Brescia, Tyler K.; Mulosmani, Kaltrina; Gulati, Shivani; Athanasopoulos, Demosthenes; Upmacis, Rita K.
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	3
Pages of publication	309 - 312
a	8.3182 ± 0.0013 Å
b	9.613 ± 0.0015 Å
c	15.595 ± 0.002 Å
α	81.767 ± 0.002°
β	82.776 ± 0.002°
γ	87.183 ± 0.002°
Cell volume	1223.8 ± 0.3 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0824
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
206298 (current)	2018-02-08	cif/ hkl/ Adding structures of 2242375 via cif-deposit CGI script.	2242375.cif 2242375.hkl