Information card for entry 4064383

Structure parameters

• Formula: C32 H21 O9 P Ru3
• Calculated formula: C32 H21 O9 P Ru3
• SMILES: [Ru]123([Ru]45([Ru]1(C#[O])(C#[O])(C#[O])([C]13=[C]2([P]4(c2ccccc2)c2ccccc2)c2c(C1)c(ccc2C)C)[H]5)(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: 10.6366 ± 0.0017 Å
• b: 12.3945 ± 0.0018 Å
• c: 24.119 ± 0.004 Å
• α: 95.952 ± 0.003°
• β: 98.672 ± 0.002°
• γ: 90.097 ± 0.004°
• Cell volume: 3126 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No