Information card for entry 7713939

Structure parameters

• Formula: C63 H69 B Cu F4 P3 S3 Si3
• Calculated formula: C63 H69 B Cu F4 P3 S3 Si3
• SMILES: [Cu]([S]=P(c1c([Si](C)(C)C)cccc1)(c1ccccc1)c1ccccc1)([S]=P(c1c([Si](C)(C)C)cccc1)(c1ccccc1)c1ccccc1)[S]=P(c1c([Si](C)(C)C)cccc1)(c1ccccc1)c1ccccc1.[F-][B](F)(F)F
• Title of publication: New Cationic Coinage Metal Complexes Featuring Silyl Group Functionalized Phosphine; Syntheses, Structures and Catalytic Studies in Alkyne-Azide Cycloaddition Reactions
• Authors of publication: Sahoo, Amiya Kumar; Sahoo, Ashish Kumar; Das, Bhagyashree Ms; Panda, Subhra Jyoti; Purohit, Chandra Shekhar; Doddi, Adinarayana
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.6433 ± 0.0001 Å
• b: 15.6433 ± 0.0001 Å
• c: 16.0019 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3391.24 ± 0.04 ų
• Cell temperature: 297.1 ± 0.3 K
• Ambient diffraction temperature: 297.1 ± 0.3 K
• Number of distinct elements: 8
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No