Information card for entry 7716535

Structure parameters

• Formula: C42 H36 Cu3 F18 N3 S3
• Calculated formula: C42 H36 Cu3 F18 N3 S3
• Title of publication: Steric and electronic influence on Cu-Cu short contacts in β-thioketiminato tricopper(I) clusters.
• Authors of publication: Penki, Venkata Sai Sashankh; Chu, Yu-Ting; Chen, Hsing-Yin; Sudewi, Sri; Li, Chien-Hung; Huang, Genin Gary; Hsu, Sodio C. N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 31
• Pages of publication: 13160 - 13173
• a: 21.3849 ± 0.001 Å
• b: 9.3117 ± 0.0004 Å
• c: 25.5615 ± 0.0012 Å
• α: 90°
• β: 108.784 ± 0.002°
• γ: 90°
• Cell volume: 4819 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0931
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No