Information card for entry 7008621

Structure parameters

• Chemical name: Tris(triphenylphosphine)(acetonitrile)copper(I) pentafluorosilicate acetonitrile solvate
• Formula: C58 H51 Cu F5 N2 P3 Si
• Calculated formula: C58 H51 Cu F5 N2 P3 Si
• SMILES: [Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N]#CC.[Si](F)(F)(F)(F)[F-].N#CC
• Title of publication: Structural and solid state 31P NMR studies of the four-coordinate copper(I) complexes [Cu(PPh3)3X] and [Cu(PPh3)3(CH3CN)]X.
• Authors of publication: Hanna, John V.; Boyd, Sue E.; Healy, Peter C.; Bowmaker, Graham A.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 15
• Pages of publication: 2547 - 2556
• a: 10.485 ± 0.002 Å
• b: 13.189 ± 0.002 Å
• c: 19.451 ± 0.004 Å
• α: 104.136 ± 0.004°
• β: 104.592 ± 0.004°
• γ: 93.839 ± 0.005°
• Cell volume: 2500.5 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No