Information card for entry 4068701

Structure parameters

• Formula: C36 H64 Ir P Ru2
• Calculated formula: C36 H64 Ir P Ru2
• SMILES: [Ir]123456([H][Ru]789%10%11([P](CC)(CC)CC)[c]%12([c]9([c]%10([c]7([c]8%12C)C)C)C)C)([c]7([c]1([c]2([c]3([c]47C)C)C)C)C)[Ru]1234([H]5)([H]6)([H]%11)[c]5([c]3([c]4([c]1([c]25C)C)C)C)C
• 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: 11.085 ± 0.002 Å
• b: 18.882 ± 0.004 Å
• c: 18.078 ± 0.004 Å
• α: 90°
• β: 94.49 ± 0.03°
• γ: 90°
• Cell volume: 3772.2 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0924
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No