Information card for entry 4068702

Structure parameters

• Formula: C46 H66 Ir O P Ru2
• Calculated formula: C46 H65 Ir O P Ru2
• SMILES: [Ir]1234567([Ru]89%10%11%12([Ru]%13%14%15%161([c]1([c]%16([c]%15([c]%14([c]%131C)C)C)C)C)([H]%12)[H]7)([P]2(c1ccccc1)c1ccccc1)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.O1CCCC1
• Title of publication: Heterometallic Trinuclear Polyhydrido Complexes Containing Ruthenium and a Group 9 Metal, [Cp*3Ru2M(μ3-H)(μ-H)3] (M = Ir or Rh; Cp* = η5-C5Me5): Synthesis, Structure, and Site Selectivity in Reactions with Phosphines
• Authors of publication: Shima, Takanori; Sugimura, Yumi; Suzuki, Hiroharu
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 871
• a: 11.841 ± 0.002 Å
• b: 15.5 ± 0.003 Å
• c: 23.891 ± 0.005 Å
• α: 90°
• β: 93.37 ± 0.03°
• γ: 90°
• Cell volume: 4377.3 ± 1.5 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No