Information card for entry 4069477

Structure parameters

• Common name: [SiPPh3]RuCl
• Formula: C60 H48 Cl P3 Ru Si
• Calculated formula: C60 H48 Cl P3 Ru Si
• SMILES: [Ru]123(Cl)[Si](c4c([P]1(c1ccccc1)c1ccccc1)cccc4)(c1ccccc1[P]3(c1ccccc1)c1ccccc1)c1c([P]2(c2ccccc2)c2ccccc2)cccc1.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: 9.999 ± 0.002 Å
• b: 14.193 ± 0.003 Å
• c: 17.379 ± 0.004 Å
• α: 95.13 ± 0.03°
• β: 92.57 ± 0.03°
• γ: 103.18 ± 0.03°
• Cell volume: 2386.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No