Information card for entry 7053168

Structure parameters

• Formula: C18 H28 Ru
• Calculated formula: C18 H28 Ru
• SMILES: [Ru]12345678(C[C]1(=[C]2(CC[CH]3=[CH]4C5)C)C)[CH]1=[CH]6CC[CH]7=[CH]8CC1
• Title of publication: Cross-dimerisation between different cisoid- and transoid-1,3-dienes at a ruthenium(0) centre
• Authors of publication: Hirano, Masafumi; Inoue, Haruka; Okamoto, Takuya; Ueda, Takao; Komine, Nobuyuki; Komiya, Sanshiro; Wang, Xian-qi; Bennett, Martin A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 11
• Pages of publication: 3433
• a: 8.852 ± 0.006 Å
• b: 14.382 ± 0.009 Å
• c: 24.096 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3068 ± 3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No