Information card for entry 4069475

Structure parameters

• Common name: [SiPPh3]RuPPh2
• Formula: C70.5 H62.5 Cl O P4 Ru Si
• Calculated formula: C70.5 H62.5 Cl O P4 Ru Si
• SMILES: [Ru]123([Si](c4ccccc4[P]1(c1ccccc1)c1ccccc1)(c1ccccc1[P]2(c1ccccc1)c1ccccc1)c1ccccc1[P]3(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.CCOCC.ClCCl
• 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: 16.2531 ± 0.0017 Å
• b: 17.6119 ± 0.0018 Å
• c: 40.998 ± 0.004 Å
• α: 90°
• β: 96.838 ± 0.002°
• γ: 90°
• Cell volume: 11652 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No