Crystallography Open Database

Information card for entry 2241953

2241952 << 2241953 >> 2241954

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Structure parameters

Chemical name	Bis(3,5-dimethylpyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>n</i>)cobalt(II)
Formula	C18 H26 Co N4 O2 S2
Calculated formula	C18 H26 Co N4 O2 S2
SMILES	C(=N[Co]([OH]C)([n]1cc(cc(c1)C)C)(N=C=S)([OH]C)[n]1cc(cc(c1)C)C)=S
Title of publication	Crystal structure of bis(3,5-dimethylpyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)
Authors of publication	Suckert, Stefan; Jess, Inke; Näther, Christian
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	12
Pages of publication	1824 - 1826
a	7.7027 ± 0.0005 Å
b	7.8688 ± 0.0005 Å
c	9.197 ± 0.0005 Å
α	87.403 ± 0.005°
β	81.419 ± 0.005°
γ	76.295 ± 0.005°
Cell volume	535.48 ± 0.06 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.043
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
188574 (current)	2016-11-19	cif/ hkl/ Adding structures of 2241953 via cif-deposit CGI script.	2241953.cif 2241953.hkl