Information card for entry 4069471

Structure parameters

• Common name: [SiPPh2PPh]Ru
• Formula: C58 H51 O P3 Ru Si
• Calculated formula: C58 H51 O P3 Ru Si
• SMILES: [Ru]1234[Si](c5ccccc5[P]2(c2ccccc2)c2ccccc2)(c2ccccc2[P]3(c2ccccc2)c2ccccc2)c2ccccc2[P]1(c1ccccc1)c1c4cccc1.O(CC)CC
• Title of publication: E-H Bond Activation Reactions (E = H, C, Si, Ge) at Ruthenium: Terminal Phosphides, Silylenes, and Germylenes
• Authors of publication: Takaoka, Ayumi; Mendiratta, Arjun; Peters, Jonas C.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3744
• a: 18.5667 ± 0.0012 Å
• b: 15.5069 ± 0.001 Å
• c: 16.9961 ± 0.0011 Å
• α: 90°
• β: 106.741 ± 0.001°
• γ: 90°
• Cell volume: 4686 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No