Information card for entry 4070757

Structure parameters

• Formula: C42 H61 F6 O P Ru3
• Calculated formula: C42 H61 F6 O P Ru3
• SMILES: [Ru]123456789([H][Ru]8%10%11%12%13%14%15%16([CH]82[CH]2%15[Ru]%15%17%18%19%2018([H]9)([CH]2%16[C]3%10%15COC)[c]1([c]%20([c]%17([c]%18([c]%191C)C)C)C)C)[c]1([c]%14([c]%13([c]%12([c]%111C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].c1ccccc1
• Title of publication: Introduction of a Methoxy Group into a Hydrocarbyl Ligand Derived from a Linear Alkane on a Triruthenium Cluster via Chemical Oxidation
• Authors of publication: Takao, Toshiro; Moriya, Makoto; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 18
• a: 15.0409 ± 0.0005 Å
• b: 12.3066 ± 0.0005 Å
• c: 23.1384 ± 0.0008 Å
• α: 90°
• β: 98.757 ± 0.0012°
• γ: 90°
• Cell volume: 4233 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No