Information card for entry 2234803

Structure parameters

• Chemical name: [μ-1,6-Bis(diphenyphosphanyl)hexane-1:2κ^2^<i>P</i>:<i>P</i>']decacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-<i>triangulo</i>-triruthenium(0)
• Formula: C40 H32 O10 P2 Ru3
• Calculated formula: C40 H32 O10 P2 Ru3
• SMILES: [Ru]1([Ru]2([Ru]1([P](CCCCCC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: [μ-1,6-Bis(diphenyphosphanyl)hexane-1:2κ^2^<i>P</i>:<i>P</i>']decacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-<i>triangulo</i>-triruthenium(0)
• Authors of publication: bin Shawkataly, Omar; Sirat, Siti Syaida; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m629 - m630
• a: 13.4836 ± 0.0006 Å
• b: 21.27 ± 0.001 Å
• c: 16.1025 ± 0.0006 Å
• α: 90°
• β: 122.295 ± 0.003°
• γ: 90°
• Cell volume: 3903.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0226
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes