Information card for entry 2243679

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 ų
• 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 Fobs: Yes