Information card for entry 4086472

Structure parameters

• Formula: C35 H51 O2 P Ru Si2
• Calculated formula: C35 H51 O2 P Ru Si2
• SMILES: [Ru]12([P](C3CCCC3)(C3CCCC3)C3CCCC3)([Si](C)(C)c3cccc4c3[O]2c2c(C4(C)C)cccc2[Si]1(C)C)C#[O]
• Title of publication: Directedortho-C‒H Silylation Coupled withtrans-Selective Hydrogenation of Arylalkynes Catalyzed by Ruthenium Complexes of a Xanthene-BasedSi,O,Si-Chelate Ligand, “Xantsil”
• Authors of publication: Komuro, Takashi; Kitano, Takeo; Yamahira, Nobukazu; Ohta, Keisuke; Okawara, Satoshi; Mager, Nathalie; Okazaki, Masaaki; Tobita, Hiromi
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 9
• Pages of publication: 1209
• a: 10.0512 ± 0.0007 Å
• b: 18.766 ± 0.0012 Å
• c: 19.7903 ± 0.0014 Å
• α: 106.247 ± 0.0019°
• β: 100.462 ± 0.0016°
• γ: 100.808 ± 0.002°
• Cell volume: 3410.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.097
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No