Information card for entry 7129584

Structure parameters

• Formula: C55 H44 B F20 O P S Si2
• Calculated formula: C55 H44 B F20 O P S Si2
• SMILES: S1[P+](C[Si](O[Si]1(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1)(C(C)(C)C)C(C)(C)C.Fc1c(c(F)c(F)c(F)c1F)[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
• Title of publication: Hidden Silylium-Type Reactivity of a Siloxane-Based Phosphonium–Hydroborate Ion Pair
• Authors of publication: Fontana, Nicolò; Espinosa-Jalapa, Noel Angel; Seidl, Michael; Bauer, Jonathan O.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.9141 ± 0.0002 Å
• b: 14.3805 ± 0.0002 Å
• c: 19.1892 ± 0.0003 Å
• α: 101.299 ± 0.001°
• β: 90.321 ± 0.001°
• γ: 93.846 ± 0.001°
• Cell volume: 2676.24 ± 0.08 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No