Information card for entry 7716536

Structure parameters

• Formula: C3.27 H3.1 Cl0.49 Cu0.24 N0.24 S0.24
• Calculated formula: C3.26531 H3.10204 Cl0.489796 Cu0.244898 N0.244898 S0.244898
• 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: 13.1496 ± 0.0002 Å
• b: 15.5846 ± 0.0002 Å
• c: 43.1275 ± 0.0005 Å
• α: 90°
• β: 98.134 ± 0.001°
• γ: 90°
• Cell volume: 8749.3 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No