Information card for entry 4110321

Structure parameters

• Formula: C28 H41 F3 N O3 P Ru S
• Calculated formula: C28 H41 F3 N O3 P Ru S
• SMILES: [RuH]123456([P](C7=C([N]1(C6)C)Cc1c7cccc1)(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: 12.618 ± 0.0003 Å
• b: 13.539 ± 0.0003 Å
• c: 19.453 ± 0.0004 Å
• α: 90°
• β: 117.927 ± 0.0013°
• γ: 90°
• Cell volume: 2936.24 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No