Crystallography Open Database

Information card for entry 1558597

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Coordinates	1558597.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Di(2,6-dimethylpyridinium) Tetrachlorocobaltate(II)
Formula	C14 H20 Cl4 Co N2
Calculated formula	C14 Cl4 Co N2
SMILES	c1(C)[nH+]c(ccc1)C.[Co](Cl)(Cl)([Cl-])[Cl-].c1(cccc(C)[nH+]1)C
Title of publication	Pyridine-Type Complexes of Transition-Metal Halides. VI. Preparation and Characterization of 2,6- and 3,5-Dimethylpyridine Complexes of Cobalt(II) Halides; the Crystal Structure of Di(2,6-dimethylpyridinium) Tetrachlorocobaltate(II) and Dichlorotetrakis(3,5-dimethylpyridine)cobalt(II)
Authors of publication	Kansikas, Jarno; Leskela, Markku; Kenessey, Gabor; Werner, Per-Erik; Liptay, Gyorgy
Journal of publication	Acta Chemica Scandinavica
Year of publication	1994
Journal volume	48
Pages of publication	951 - 959
a	16.744 ± 0.003 Å
b	8.832 ± 0.002 Å
c	13.263 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1961.4 ± 0.7 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0457
Goodness-of-fit parameter for all reflections included in the refinement	1.43
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
254336 (current)	2020-07-16	cif/ Adding structures of 1558597 via cif-deposit CGI script.	1558597.cif