Information card for entry 4078692

Structure parameters

• Formula: C20 H30 O2 Ru
• Calculated formula: C20 H30 O2 Ru
• SMILES: [Ru]12345678(C[C]1(=[C]2(C[C]4(C3)=[CH]5C(=O)OCC)C)C)[CH]1=[CH]6CC[CH]7=[CH]8CC1
• Title of publication: Stoichiometric Carbon‒Carbon Bond Forming Reaction of 1,3-Diene with 1,2-Diene in a Ruthenium(0) Complex
• Authors of publication: Hirano, Masafumi; Okamoto, Takuya; Komine, Nobuyuki; Komiya, Sanshiro
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4639
• a: 7.24 ± 0.0018 Å
• b: 9.098 ± 0.003 Å
• c: 14.711 ± 0.005 Å
• α: 88.652 ± 0.011°
• β: 80.572 ± 0.01°
• γ: 67.346 ± 0.007°
• Cell volume: 881.3 ± 0.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.686
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No