Information card for entry 4071757

Structure parameters

• Formula: C28 H38 O2 Ru2
• Calculated formula: C28 H37 O2 Ru2
• SMILES: [Ru]1234567([Ru]89%10%11%12%13([CH]%14C(=O)[CH]2=[CH]1C(=O)[CH]8=%14)([CH]3=[CH2]9)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C
• Title of publication: Preparation and Properties of Diruthenium Hydrido Complexes Having a Bridging Benzoquinone Ligand: Formation of an Alcohol Adduct of a μ-η2:η2-Benzoquinone Complex through Hydrogen Bonding
• Authors of publication: Takao, Toshiro; Akiyoshi, Kazunori; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 4199
• a: 17.6283 ± 0.0005 Å
• b: 14.9024 ± 0.0004 Å
• c: 20.4564 ± 0.0007 Å
• α: 90°
• β: 113.042 ± 0.0011°
• γ: 90°
• Cell volume: 4945.2 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No