Information card for entry 4110324

Structure parameters

• Formula: C34 H49 F3 N O3 P Ru S Si
• Calculated formula: C34 H49 F3 N O3 P Ru S Si
• SMILES: [RuH2]12345([P](C6=C([N+]([SiH]1c1ccccc1)(C)C)Cc1c6cccc1)(C(C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Silylene Extrusion from Organosilanes via Double Geminal Si-H Bond Activation by a Cp*Ru(κ2-P,N)+ Complex: Observation of a Key Stoichiometric Step in the Glaser-Tilley Alkene Hydrosilylation Mechanism
• Authors of publication: Matthew A. Rankin; Darren F. MacLean; Gabriele Schatte; Robert McDonald; Mark Stradiotto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 15855 - 15864
• a: 9.4515 ± 0.0003 Å
• b: 12.7981 ± 0.0003 Å
• c: 29.7747 ± 0.001 Å
• α: 90°
• β: 97.4604 ± 0.0014°
• γ: 90°
• Cell volume: 3571.1 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.074
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0982
• 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: No
• Has Fobs: No