Information card for entry 7713938

Structure parameters

• Formula: C44 H49 B Cu F4 N P2 Si2
• Calculated formula: C44 H49 B Cu F4 N P2 Si2
• SMILES: [Cu]([P](c1c([Si](C)(C)C)cccc1)(c1ccccc1)c1ccccc1)([P](c1c([Si](C)(C)C)cccc1)(c1ccccc1)c1ccccc1)[N]#CC.[B](F)(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: 13.1356 ± 0.0001 Å
• b: 13.5082 ± 0.0001 Å
• c: 13.7944 ± 0.0001 Å
• α: 93.905 ± 0.001°
• β: 105.253 ± 0.001°
• γ: 106.903 ± 0.001°
• Cell volume: 2231.52 ± 0.03 ų
• Cell temperature: 293 ± 7 K
• Ambient diffraction temperature: 293 ± 7 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No