Information card for entry 4078730

Structure parameters

• Formula: C38 H57 N O2 Ru3
• Calculated formula: C38 H57 N O2 Ru3
• SMILES: [Ru]123456789([Ru]%10%11%12%13%14%15%16([H]8)([Ru]8%17%18%191([H]9)([H]%13)([H]%14)([C]13=[N]2%15C=CC(=C1)C(=O)OCC)[c]1([c]8([c]%17([c]%18([c]%191C)C)C)C)C)[c]1([c]%16([c]%10([c]%11([c]%121C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C
• Title of publication: Synthesis of Triruthenium Complexes Containing a Triply Bridging Pyridyl Ligand and Its Transformations to Face-Capping Pyridine and Perpendicularly Coordinated Pyridyl Ligands
• Authors of publication: Takao, Toshiro; Kawashima, Takashi; Kanda, Hideyuki; Okamura, Rei; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 13
• Pages of publication: 4817
• a: 8.8245 ± 0.0007 Å
• b: 11.0624 ± 0.0008 Å
• c: 20.5986 ± 0.0016 Å
• α: 78.9596 ± 0.0019°
• β: 77.611 ± 0.002°
• γ: 72.0478 ± 0.0019°
• Cell volume: 1851.3 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No