Information card for entry 4064388

Structure parameters

• Formula: C31 H19 O9 P Ru3
• Calculated formula: C31 H19 O9 P Ru3
• SMILES: [Ru]12([H][Ru]3([Ru]41(C#[O])(C#[O])(C#[O])[C]1([P]3(c3ccccc3)c3ccccc3)c3ccccc3C([C]24=1)C)(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: 17.663 ± 0.007 Å
• b: 16.873 ± 0.006 Å
• c: 20.306 ± 0.007 Å
• α: 90°
• β: 95.605 ± 0.005°
• γ: 90°
• Cell volume: 6023 ± 4 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No