Information card for entry 4065337

Structure parameters

• Formula: C36 H58 N2 Ru2
• Calculated formula: C36 H55 N2 Ru2
• SMILES: [Ru]123456([H][Ru]789%10(C%11[CH]1=[CH]2CCC%11)(C#[N]C(C)(C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(C#[N]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: 11.6809 ± 0.0003 Å
• b: 8.8655 ± 0.0002 Å
• c: 33.7174 ± 0.0007 Å
• α: 90°
• β: 98.391 ± 0.0007°
• γ: 90°
• Cell volume: 3454.3 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.025
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No