Information card for entry 4074078

Structure parameters

• Formula: C61 H61 Cl O1.5 P3 Ru Si
• Calculated formula: C61 H61 Cl O1.5 P3 Ru Si
• SMILES: [Ru]12(Cl)([P](c3c([Si]2(C)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)cccc3)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC.O(CC)CC
• Title of publication: Synthesis and Reactivity of Platinum Group Metal Complexes Featuring the New Pincer-like Bis(phosphino)silyl Ligand [κ3-(2-Ph2PC6H4)2SiMe]−([PSiP]): Application in the Ruthenium-Mediated Transfer Hydrogenation of Ketones
• Authors of publication: MacInnis, Morgan C.; MacLean, Darren F.; Lundgren, Rylan J.; McDonald, Robert; Turculet, Laura
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 26
• Pages of publication: 6522
• a: 11.2541 ± 0.0009 Å
• b: 13.4722 ± 0.0011 Å
• c: 17.6235 ± 0.0014 Å
• α: 85.01 ± 0.0011°
• β: 85.5172 ± 0.0011°
• γ: 85.887 ± 0.0011°
• Cell volume: 2648.1 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0475
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No