Information card for entry 7717819

Structure parameters

• Formula: C37 H34 Br2 Cu2 N6 S1.98
• Calculated formula: C37 H34 Br2 Cu2 N6 S1.978
• 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: 10.3032 ± 0.0007 Å
• b: 14.4037 ± 0.001 Å
• c: 15.4154 ± 0.001 Å
• α: 73.897 ± 0.002°
• β: 77.002 ± 0.002°
• γ: 89.1 ± 0.002°
• Cell volume: 2139 ± 0.3 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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: 0.0774
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No