Information card for entry 4078299

Structure parameters

• Formula: C22 H35 N O2 Ru
• Calculated formula: C22 H35 N O2 Ru
• SMILES: [Ru]123456([N]#CC)([CH](=[C]1([CH]2=[CH]3C(=O)OC)C(C)C)C(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: 14.246 ± 0.005 Å
• b: 14.126 ± 0.005 Å
• c: 21.015 ± 0.008 Å
• α: 90°
• β: 93.084 ± 0.005°
• γ: 90°
• Cell volume: 4223 ± 3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.2624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No