Information card for entry 4069472

Structure parameters

• Common name: [SiPPh3]Ru(H)(SiPh2)
• Formula: C78 H65 P3 Ru Si2
• Calculated formula: C78 H65 P3 Ru Si2
• SMILES: [RuH]123([Si](c4ccccc4[P]1(c1ccccc1)c1ccccc1)(c1ccccc1[P]2(c1ccccc1)c1ccccc1)c1ccccc1[P]3(c1ccccc1)c1ccccc1)=[Si](c1ccccc1)c1ccccc1.c1ccccc1.c1ccccc1
• 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: 12.597 ± 0.003 Å
• b: 23.27 ± 0.005 Å
• c: 21.596 ± 0.004 Å
• α: 90°
• β: 103.492 ± 0.003°
• γ: 90°
• Cell volume: 6156 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No