Information card for entry 4064386

Structure parameters

• Formula: C32 H23 O8 P Ru3
• Calculated formula: C32 H23 O8 P Ru3
• SMILES: [Ru]123([Ru]4([H][Ru]561(C#[O])(C#[O])(C[C]16=[C]25C([P]4(c2ccccc2)c2ccccc2)c2c(ccc(c12)C)C)[H]3)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Trinuclear and Tetranuclear Ruthenium Carbonyl Clusters Derived from Indenylphosphines: Cleavage of C−H and C−P Bonds
• Authors of publication: Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2308
• a: 11.529 ± 0.002 Å
• b: 18.246 ± 0.004 Å
• c: 14.917 ± 0.003 Å
• α: 90°
• β: 101.79 ± 0.03°
• γ: 90°
• Cell volume: 3071.7 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0264
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No