Information card for entry 7115794

Structure parameters

• Formula: C45 H48 B F20 P Si
• Calculated formula: C45 H48 B F20 P Si
• SMILES: [P+]([Si](C(C)C)(C(C)C)C(C)C)(C(C)(C)C)(C(C)(C)C)C(C)(C)C.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Bypassing a highly unstable frustrated Lewis pair: dihydrogen cleavage by a thermally robust silylium-phosphine adduct
• Authors of publication: Thomas J. Herrington; Bryan J. Ward; Laurence R. Doyle; Joe McDermott; Andrew J. P. White; Patricia A. Hunt; Andrew E. Ashley
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12753
• a: 11.6772 ± 0.0005 Å
• b: 12.5736 ± 0.0004 Å
• c: 17.0286 ± 0.0006 Å
• α: 79.442 ± 0.003°
• β: 75.102 ± 0.003°
• γ: 77.292 ± 0.003°
• Cell volume: 2335.61 ± 0.15 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0418
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No