Information card for entry 2237672

Structure parameters

• Chemical name: Dichloridobis(1,3-diisopropyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium-2-thiolate-κ<i>S</i>)copper(II)
• Formula: C22 H40 Cl2 Cu N4 S2
• Calculated formula: C22 H40 Cl2 Cu N4 S2
• SMILES: C1(N(C(C)C)C(C)=C(C)N1C(C)C)=[S][Cu](Cl)([S]=C1N(C(C)C)C(C)=C(C)N1C(C)C)Cl
• Title of publication: Dichloridobis(1,3-diisopropyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium-2-thiolate-κ<i>S</i>)copper(II)
• Authors of publication: Flörke, Ulrich; Ahmida, Aziza; Schröder, Jörg; Egold, Hans; Henkel, Gerald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m211
• a: 14.0663 ± 0.0012 Å
• b: 13.1359 ± 0.0011 Å
• c: 14.9278 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2758.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes