Information card for entry 7133845

Structure parameters

• Formula: C108 H139 Cu2 N8 S8
• Calculated formula: C108 H139 Cu2 N8 S8
• Title of publication: Isolation and Characterization of a Blue Coloured Three Coordinate Cu(I)-Radical Complex with a S3 Donor Set
• Authors of publication: Das, Sujit; Suthar, Sonam; Francis, Maria; Ghosh, Saurav; Mondal, Sangita; Kumar, Sunil; Mondal, Kartik Chandra
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 15.3152 ± 0.0008 Å
• b: 40.9418 ± 0.0019 Å
• c: 20.7779 ± 0.001 Å
• α: 90°
• β: 98.274 ± 0.002°
• γ: 90°
• Cell volume: 12892.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No