Information card for entry 2229112

Structure parameters

• Chemical name: Undecacarbonyl-1κ^3^<i>C</i>,2κ^4^<i>C</i>,3κ^4^<i>C</i>- (triethyl phosphite-1κ<i>P</i>)-<i>triangulo</i>-triruthenium(0)
• Formula: C17 H15 O14 P Ru3
• Calculated formula: C17 H15 O14 P Ru3
• SMILES: [Ru]1([Ru]([Ru]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])([P](OCC)(OCC)OCC)(C#[O])(C#[O])C#[O]
• Title of publication: Undecacarbonyl-1κ^3^<i>C</i>,2κ^4^<i>C</i>,3κ^4^<i>C</i>-(triethyl phosphite-1κ<i>P</i>)-<i>triangulo</i>-triruthenium(0)
• Authors of publication: bin Shawkataly, Omar; Alam, Mohd. Gulfam; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m220
• a: 12.8866 ± 0.0003 Å
• b: 9.0955 ± 0.0002 Å
• c: 21.7772 ± 0.0005 Å
• α: 90°
• β: 99.589 ± 0.001°
• γ: 90°
• Cell volume: 2516.84 ± 0.1 ų
• Cell temperature: 100 ± 0.1 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: 0.0513
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0854
• 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