Information card for entry 4089175

Structure parameters

• Formula: C42 H44 Cl5 O P3 Ru Si
• Calculated formula: C42 H44 Cl5 O P3 Ru Si
• SMILES: [Ru](Cl)(Cl)([PH](Cl)C[Si](C)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].ClCCl
• Title of publication: Hydrochlorination of Ruthenaphosphaalkenyls: Unexpectedly Facile Access to Alkylchlorohydrophosphane Complexes
• Authors of publication: Greenacre, Victoria K.; Day, Iain J.; Crossley, Ian R.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 2
• Pages of publication: 435
• a: 12.5318 ± 0.0008 Å
• b: 13.0932 ± 0.0011 Å
• c: 15.9653 ± 0.001 Å
• α: 99.39 ± 0.006°
• β: 101.138 ± 0.005°
• γ: 116.048 ± 0.007°
• Cell volume: 2215.9 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No