Information card for entry 4071692

Structure parameters

• Formula: C32 H29 O P Ru
• Calculated formula: C32 H29 O P Ru
• SMILES: [Ru]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)(C[CH]1=[CH]2c1c(O)cccc1)[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Acid-Promoted Hydrogen Migration in (2-Allylphenoxo)ruthenium(II) To Form an η3-Allyl Complex
• Authors of publication: Hirano, Masafumi; Kuga, Toshinori; Kitamura, Mariko; Kanaya, Susumu; Komine, Nobuyuki; Komiya, Sanshiro
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3635
• a: 16.843 ± 0.004 Å
• b: 19.073 ± 0.005 Å
• c: 15.619 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5018 ± 2 ų
• Cell temperature: 200.2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No