Information card for entry 2242494

Structure parameters

• Chemical name: Undecacarbonyl[(4-methylsulfanylphenyl)diphenylphosphane]triruthenium(0)
• Formula: C30 H17 O11 P Ru3 S
• Calculated formula: C30 H17 O11 P Ru3 S
• SMILES: [Ru]1([Ru]([Ru]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])([P](c1ccc(SC)cc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Undecacarbonyl[(4-methylsulfanylphenyl)diphenylphosphane]triruthenium(0): crystal structure and Hirshfeld surface analysis
• Authors of publication: bin Shawkataly, Omar; Abdelnasir, Hafiz Malik Hussien; Sirat, Siti Syaida; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 791 - 795
• a: 9.6922 ± 0.0001 Å
• b: 12.7459 ± 0.0002 Å
• c: 13.603 ± 0.0002 Å
• α: 103.301 ± 0.001°
• β: 102.938 ± 0.001°
• γ: 91.771 ± 0.001°
• Cell volume: 1587.83 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0666
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes