Information card for entry 2240203

Structure parameters

• Chemical name: Bis[1,3,4,5-tetramethyl-1<i>H</i>-imidazole-2(3<i>H</i>)-thione-κ<i>S</i>]chloridocopper(I)
• Formula: C14 H24 Cl Cu N4 S2
• Calculated formula: C14 H24 Cl Cu N4 S2
• SMILES: [Cu](Cl)([S]=C1N(C)C(C)=C(N1C)C)[S]=C1N(C)C(C)=C(N1C)C
• Title of publication: Crystal structure of bis[1,3,4,5-tetramethyl-1<i>H</i>-imidazole-2(3<i>H</i>)-thione-κ<i>S</i>]chloridocopper(I)
• Authors of publication: Flörke, Ulrich; Ahmida, Aziza; Egold, Hans; Henkel, Gerald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: m397 - m398
• a: 9.4738 ± 0.0014 Å
• b: 13.662 ± 0.002 Å
• c: 14.119 ± 0.002 Å
• α: 90°
• β: 98.314 ± 0.003°
• γ: 90°
• Cell volume: 1808.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes