Information card for entry 2235049

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>-(triphenyl phosphite-3κ<i>P</i>)-<i>triangulo</i>-triruthenium(0) chloroform disolvate
• Formula: C58 H47 Cl6 O12 P3 Ru3
• Calculated formula: C58 H47 Cl6 O12 P3 Ru3
• SMILES: [Ru]12([Ru]([Ru]1([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)(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].ClC(Cl)Cl.ClC(Cl)Cl
• 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>-(triphenyl phosphite-3κ<i>P</i>)-<i>triangulo</i>-triruthenium(0) chloroform disolvate
• 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: m812 - m813
• a: 12.8185 ± 0.0004 Å
• b: 14.9912 ± 0.0004 Å
• c: 16.6456 ± 0.0005 Å
• α: 83.374 ± 0.001°
• β: 81.38 ± 0.001°
• γ: 74.099 ± 0.001°
• Cell volume: 3032.25 ± 0.16 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes