Information card for entry 4066812

Structure parameters

• Formula: C16 H29 O2 P Ru
• Calculated formula: C16 H29 O2 P Ru
• SMILES: [Ru]123456([P](C)(C)C)([O]=[C]3(OC)[C]2(=[CH2]1)C)[CH]1=[CH]4CC[CH]5=[CH]6CC1
• Title of publication: Catalytic Tail-to-Tail Selective Dimerization of Methyl Methacrylate Promoted by a Ruthenium(0) Complex
• Authors of publication: Hirano, Masafumi; Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3690
• a: 9.095 ± 0.003 Å
• b: 14.037 ± 0.004 Å
• c: 13.74 ± 0.004 Å
• α: 90°
• β: 102.164 ± 0.004°
• γ: 90°
• Cell volume: 1714.8 ± 0.9 ų
• Cell temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No