Information card for entry 4078732

Structure parameters

• Formula: C38 H57 N O2 Ru3
• Calculated formula: C38 H32 N O2 Ru3
• SMILES: [Ru]12345([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[CH]1[C]2(=[CH]([Ru]23467[c]2([c]3([c]4([c]7([c]62C)C)C)C)C)[CH]2=[N]([Ru]23467[c]2([c]4([c]7([c]6([c]32C)C)C)C)C)[C]5=1)C(=O)OCC
• 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: 8.742 ± 0.002 Å
• b: 11.06 ± 0.003 Å
• c: 19.935 ± 0.005 Å
• α: 78.759 ± 0.01°
• β: 80.239 ± 0.009°
• γ: 73.723 ± 0.009°
• Cell volume: 1801.1 ± 0.8 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: 0.1063
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.2032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No