Information card for entry 4065339

Structure parameters

• Formula: C29 H40 O3 Ru2
• Calculated formula: C29 H40 O3 Ru2
• SMILES: [Ru]123456([Ru]789%10(C%111CCCCC%11)(C2=O)(C#[O])[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(C#[O])[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: 9.793 ± 0.0015 Å
• b: 9.8397 ± 0.0018 Å
• c: 15.993 ± 0.002 Å
• α: 100.994 ± 0.005°
• β: 100.953 ± 0.005°
• γ: 112.116 ± 0.005°
• Cell volume: 1342.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No