Information card for entry 2235237

Structure parameters

• Chemical name: [μ-Bis(di-<i>o</i>-tolylphosphanyl)methane- 1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[tris(2-chloroethyl) phosphite-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)
• Formula: C44 H42 Cl3 O12 P3 Ru3
• Calculated formula: C44 H42 Cl3 O12 P3 Ru3
• SMILES: [Ru]12([Ru]([Ru]1([P](OCCCl)(OCCCl)OCCCl)(C#[O])(C#[O])C#[O])([P](C[P]2(c1c(cccc1)C)c1c(cccc1)C)(c1c(cccc1)C)c1c(cccc1)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: [μ-Bis(di-<i>o</i>-tolylphosphanyl)methane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[tris(2-chloroethyl) phosphite-3κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)
• Authors of publication: bin Shawkataly, Omar; Khan, Imthyaz Ahmed; 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: 6
• Pages of publication: m838 - m839
• a: 10.1705 ± 0.0006 Å
• b: 20.749 ± 0.0012 Å
• c: 12.3584 ± 0.0007 Å
• α: 90°
• β: 109.241 ± 0.001°
• γ: 90°
• Cell volume: 2462.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0161
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes