Information card for entry 4074476

Structure parameters

• Formula: C35 H53 F6 P Ru3
• Calculated formula: C35 H53 F6 P Ru3
• SMILES: [Ru]123456789([Ru]%10%11%12%13%14%15%16([H]8)([CH]82[C]2%15([Ru]%15%17%18%19%2018([H]9)([CH]%162[CH]3%10%17)[c]1([c]%15([c]%20([c]%18([c]%191C)C)C)C)C)C)[c]1([c]%11([c]%12([c]%13([c]%141C)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-]
• Title of publication: Oxidation-Induced Rearrangement from anido- to acloso-Ruthenacyclopentadiene
• Authors of publication: Takao, Toshiro; Inagaki, Akiko; Imamura, Tsubomi; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 5511
• a: 15.18 ± 0.005 Å
• b: 15.044 ± 0.008 Å
• c: 17.907 ± 0.006 Å
• α: 90°
• β: 94.82 ± 0.03°
• γ: 90°
• Cell volume: 4075 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No