Information card for entry 1512067

Structure parameters

• Formula: C21 H24 Ru
• Calculated formula: C21 H24 Ru
• SMILES: [Ru]12345678([cH]9[c]%105[c]4([cH]3[cH]2[cH]19)cccc%10)[CH]1=[C]6(C)[C@H]2C[CH]7=[C]8(C)[C@@H](C1)C2.[Ru]12345678([cH]9[c]%105[c]4([cH]3[cH]2[cH]19)cccc%10)[CH]1=[C]6(C)[C@@H]2C[CH]7=[C]8(C)[C@H](C1)C2
• Title of publication: Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex
• Authors of publication: Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 2486
• a: 7.5875 ± 0.0015 Å
• b: 15.884 ± 0.003 Å
• c: 13.803 ± 0.003 Å
• α: 90°
• β: 97.204 ± 0.003°
• γ: 90°
• Cell volume: 1650.4 ± 0.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• 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: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.778
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No