Information card for entry 4078297

Structure parameters

• Formula: C35 H42 N O P Ru
• Calculated formula: C35 H42 N O P Ru
• SMILES: [Ru]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)([CH](CC)=[CH]1[CH]2=[CH]3C(=O)N(C)C)[CH]1=[CH]4CC[CH]5=[CH]6CC1
• Title of publication: Stoichiometric and Catalytic Cross Dimerization between Conjugated Dienes and Conjugated Carbonyls by a Ruthenium(0) Complex: Straightforward Access to Unsaturated Carbonyl Compounds by an Oxidative Coupling Mechanism
• Authors of publication: Hirano, Masafumi; Arai, Yasutomo; Hamamura, Yuka; Komine, Nobuyuki; Komiya, Sanshiro
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 10
• Pages of publication: 4006
• a: 10.199 ± 0.002 Å
• b: 10.922 ± 0.003 Å
• c: 13.664 ± 0.004 Å
• α: 82.687 ± 0.006°
• β: 87.793 ± 0.008°
• γ: 76.674 ± 0.008°
• Cell volume: 1469 ± 0.7 ų
• Cell temperature: 200 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 significantly intense reflections: 0.0302
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No