Information card for entry 2240897

Structure parameters

• Chemical name: Dichloridobis(1,3,4,5-tetramethyl-1<i>H</i>-imidazol-2-ium-2-thiolate-κ<i>S</i>)nickel(II)
• Formula: C14 H24 Cl2 N4 Ni S2
• Calculated formula: C14 H24 Cl2 N4 Ni S2
• SMILES: C1(N(C)C(C)=C(C)N1C)=[S][Ni](Cl)([S]=C1N(C)C(C)=C(C)N1C)Cl
• Title of publication: Crystal structure of dichloridobis(1,3,4,5-tetramethyl-1<i>H</i>-imidazol-2-ium-2-thiolate-κ<i>S</i>)nickel(II)
• Authors of publication: Ahmida, Aziza; Flörke, Ulrich; Egold, Hans; Henkel, Gerald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: m147
• a: 14.8539 ± 0.0017 Å
• b: 8.5969 ± 0.001 Å
• c: 16.4434 ± 0.0019 Å
• α: 90°
• β: 112.104 ± 0.002°
• γ: 90°
• Cell volume: 1945.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes