Information card for entry 7716532

Structure parameters

• Formula: C34 H35 Cl2 Cu3 N6 O6 S3
• Calculated formula: C34 H35 Cl2 Cu3 N6 O6 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: 12.8659 ± 0.0008 Å
• b: 14.552 ± 0.001 Å
• c: 14.7553 ± 0.0008 Å
• α: 102.293 ± 0.002°
• β: 107.274 ± 0.002°
• γ: 114.886 ± 0.002°
• Cell volume: 2203.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No