Information card for entry 2239773

Structure parameters

• Chemical name: (Benzyldiphenylphosphane-1κ<i>P</i>)[μ-bis(diphenylphosphanyl)methane-2:3κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-triruthenium(0)
• Formula: C53 H39 O9 P3 Ru3
• Calculated formula: C53 H39 O9 P3 Ru3
• SMILES: [Ru]1([Ru]2([Ru]1([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([P](Cc1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: (Benzyldiphenylphosphane-1κ<i>P</i>)[μ-bis(diphenylphosphanyl)methane-2:3κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-triruthenium(0)
• Authors of publication: bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Rosli, Mohd Mustaqim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: m293 - m294
• a: 13.4308 ± 0.0002 Å
• b: 35.3969 ± 0.0006 Å
• c: 20.6967 ± 0.0003 Å
• α: 90°
• β: 97.62 ± 0.001°
• γ: 90°
• Cell volume: 9752.5 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes