Information card for entry 4085725

Structure parameters

• Formula: C22 H30 Cl2 O4 P2 Ru
• Calculated formula: C22 H30 Cl2 O4 P2 Ru
• SMILES: c1(ccccc1)[P@](C(C)(C)C)(O)[Ru](C#[O])(C#[O])([P@@](c1ccccc1)(C(C)(C)C)O)(Cl)Cl
• Title of publication: Ruthenium Carbonyl Complexes Bearing Secondary Phosphine Oxides and Phosphinous Acids: Synthesis, Characterization, and Application in Catalysis
• Authors of publication: Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1864
• a: 10.5614 ± 0.0002 Å
• b: 13.1538 ± 0.0002 Å
• c: 18.8915 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2624.46 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No