Crystallography Open Database

Information card for entry 1558598

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Coordinates	1558598.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Dichlorotetrakis(3,5-dimethylpyridine)cobalt(II)
Formula	C28 H36 Cl2 Co N4
Calculated formula	C28 Cl2 Co N4
SMILES	c1c(cc(c[n]1[Co](Cl)(Cl)([n]1cc(cc(c1)C)C)([n]1cc(cc(c1)C)C)[n]1cc(cc(c1)C)C)C)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	11.662 ± 0.003 Å
b	11.664 ± 0.003 Å
c	10.608 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1443 ± 0.7 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	48
Hermann-Mauguin space group symbol	P n n n :2
Hall space group symbol	-P 2ab 2bc
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	4.36
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
254337 (current)	2020-07-16	cif/ Adding structures of 1558598 via cif-deposit CGI script.	1558598.cif