Information card for entry 4085714

Structure parameters

• Formula: C47 H44 Cl O P3 Ru Si
• Calculated formula: C47 H44 Cl O P3 Ru Si
• SMILES: [Ru](Cl)(/P=C/[Si](c1ccc(cc1)C)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• 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: 19.6947 ± 0.0006 Å
• b: 12.0013 ± 0.0002 Å
• c: 19.7876 ± 0.0005 Å
• α: 90°
• β: 116.762 ± 0.004°
• γ: 90°
• Cell volume: 4176.1 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• 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: 0.0416
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No