Crystallography Open Database

Information card for entry 2243515

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Structure parameters

Chemical name	Bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)
Formula	C12 H24 Co N6 S4
Calculated formula	C12 H24 Co N6 S4
SMILES	[Co](N=C=S)(N=C=S)([S]=C(N(C)C)N(C)C)[S]=C(N(C)C)N(C)C
Title of publication	Crystal structure of bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)
Authors of publication	Jochim, Aleksej; Radulovic, Rastko; Jess, Inke; Näther, Christian
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	8
Pages of publication	1373 - 1377
a	13.3288 ± 0.0013 Å
b	11.214 ± 0.0008 Å
c	13.8579 ± 0.0013 Å
α	90°
β	97.667 ± 0.008°
γ	90°
Cell volume	2052.8 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
254728 (current)	2020-08-01	cif/ hkl/ Adding structures of 2243515 via cif-deposit CGI script.	2243515.cif 2243515.hkl