Information card for entry 2204007

Structure parameters

• Formula: C28 H32 Cl Cu N8 S4
• Calculated formula: C28 H32 Cl Cu N8 S4
• SMILES: [Cu]([S]=C(N)Nc1ccccc1)([S]=C(N)Nc1ccccc1)([S]=C(N)Nc1ccccc1)[S]=C(N)Nc1ccccc1.[Cl-]
• Title of publication: Tetrakis(phenylthiourea-κ<i>S</i>)copper(I) chloride
• Authors of publication: Yu Liu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1057 - m1059
• a: 11.4847 ± 0.0003 Å
• b: 11.4847 ± 0.0003 Å
• c: 12.8612 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1696.37 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes