Crystallography Open Database

Information card for entry 2243679

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Structure parameters

Chemical name	Bis(tetramethylthiourea-κ<i>S</i>)bis(thiocyanato-κ<i>N</i>)nickel(II)
Formula	C12 H24 N6 Ni S4
Calculated formula	C12 H24 N6 Ni S4
SMILES	[Ni](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>)nickel(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	12
Pages of publication	1841 - 1845
a	10.7245 ± 0.0003 Å
b	6.205 ± 0.0003 Å
c	15.1579 ± 0.0005 Å
α	90°
β	103.14 ± 0.003°
γ	90°
Cell volume	982.28 ± 0.06 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
259161 (current)	2020-11-18	cif/ hkl/ Adding structures of 2243679 via cif-deposit CGI script.	2243679.cif 2243679.hkl