Information card for entry 4065341

Structure parameters

• Formula: C27 H42 Ru2
• Calculated formula: C27 H42 Ru2
• SMILES: [Ru]12345678([Ru]9%10%11%12%13([CH]%14[CH]2=[CH]1CCC[CH]%12=%14)([H]7)([H]8)[c]1([c]%11([c]%10([c]9([c]%131C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Synthesis and Property of Diruthenium Complexes Containing Bridging Cyclic Diene Ligands and the Reaction of Diruthenium Tetrahydrido Complex with Benzene Forming a μ-η2:η2-Cyclohexadiene Complex via Partial Hydrogenation on a Ru2Center
• Authors of publication: Takao, Toshiro; Obayashi, Nozomi; Zhao, Bo; Akiyoshi, Kazunori; Omori, Hideki; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 18
• Pages of publication: 5057
• a: 8.0533 ± 0.0008 Å
• b: 36.216 ± 0.003 Å
• c: 9.1233 ± 0.001 Å
• α: 90°
• β: 109.657 ± 0.003°
• γ: 90°
• Cell volume: 2505.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No