Information card for entry 4078735

Structure parameters

• Formula: C60 H76 B N Ru3
• Calculated formula: C60 H76 B N Ru3
• SMILES: [Ru]123456789([Ru]%10%11%12%13%14%15%16([H]8)([Ru]8%17%18%19%201([H]9)([H]%14)([CH]1[CH]%15=[CH]%16[CH]3=[N]2([CH]8=1)C)[c]1([c]%18([c]%19([c]%20([c]%171C)C)C)C)C)[c]1([c]%13([c]%12([c]%11([c]%101C)C)C)C)C)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.5539 ± 0.0017 Å
• b: 13.726 ± 0.003 Å
• c: 17.284 ± 0.004 Å
• α: 70.873 ± 0.01°
• β: 86.569 ± 0.01°
• γ: 81.514 ± 0.01°
• Cell volume: 2561.2 ± 0.9 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: 0.0273
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No