Information card for entry 4085712

Structure parameters

• Formula: C49 H60 Cl O3 P3 Ru Si
• Calculated formula: C49 H60 Cl O3 P3 Ru Si
• SMILES: [Ru](Cl)(/P=C/[Si](C)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].O(CC)CC.O(CC)CC
• Title of publication: Ruthenaphosphaalkenyls: Synthesis, Structures, and Their Conversion to η2-Phosphaalkene Complexes
• Authors of publication: Greenacre, Victoria K.; Trathen, Nicola; Crossley, Ian R.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2533
• a: 9.7961 ± 0.0005 Å
• b: 34.258 ± 0.0017 Å
• c: 14.8457 ± 0.0007 Å
• α: 90°
• β: 95.201 ± 0.005°
• γ: 90°
• Cell volume: 4961.6 ± 0.4 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2484
• Weighted residual factors for all reflections included in the refinement: 0.2864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No