Information card for entry 7717822

Structure parameters

• Chemical name: SCuI
• Formula: C74 H68 Cu4 I4 N12 S4
• Calculated formula: C74 H68 Cu4 I4 N12 S4
• Title of publication: Probing the nature of intramolecular (sp³)C-H⋯Cu(I) interactions in organo thione copper(I) cages.
• Authors of publication: Ramakant, Girbide Amitkumar; Muduli, Gopendra; Rai, Rakesh Kumar; Prabusankar, Ganesan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 3118 - 3126
• a: 10.2882 ± 0.0014 Å
• b: 14.6183 ± 0.0017 Å
• c: 15.56 ± 0.002 Å
• α: 72.964 ± 0.004°
• β: 78.573 ± 0.005°
• γ: 89.436 ± 0.004°
• Cell volume: 2190.2 ± 0.5 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0583
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No