Information card for entry 7716534

Structure parameters

• Formula: C27 H29 Cu F6 N2 S
• Calculated formula: C27 H29 Cu F6 N2 S
• 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: 10.3295 ± 0.0005 Å
• b: 11.7668 ± 0.0006 Å
• c: 13.5546 ± 0.0007 Å
• α: 105.523 ± 0.002°
• β: 104.438 ± 0.001°
• γ: 108.163 ± 0.001°
• Cell volume: 1405.15 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No