Information card for entry 7717821

Structure parameters

• Formula: C37 H34 Br2 Cu2 N6 S2
• Calculated formula: C37 H34 Br2 Cu2 N6 S2
• 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: 10.2301 ± 0.001 Å
• b: 14.3455 ± 0.0016 Å
• c: 15.4107 ± 0.0018 Å
• α: 73.904 ± 0.004°
• β: 77.156 ± 0.004°
• γ: 88.719 ± 0.004°
• Cell volume: 2116.7 ± 0.4 ų
• Cell temperature: 121 K
• Ambient diffraction temperature: 121 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: 0.0915
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No