Information card for entry 1559065

Structure parameters

• Chemical name: J_Me_BF4
• Formula: C64 H58 B3 Cl4 F13 S2 Sb2
• Calculated formula: C64 H58 B3 Cl4 F13 S2 Sb2
• Title of publication: Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport
• Authors of publication: Park, Gyeongjin; Gabbaï, François P.
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 15.494 ± 0.002 Å
• b: 10.9891 ± 0.0016 Å
• c: 19.761 ± 0.003 Å
• α: 90°
• β: 110.566 ± 0.007°
• γ: 90°
• Cell volume: 3150.2 ± 0.8 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 109.98 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No