Information card for entry 1559061

Structure parameters

• Chemical name: BrC30Cl2SSb
• Formula: C31 H26 Br Cl2 S Sb
• Calculated formula: C31 H26 Br Cl2 S Sb
• SMILES: [Sb](Br)(c1c(Sc2ccccc2)cccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• 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: 9.1739 ± 0.0016 Å
• b: 11.503 ± 0.002 Å
• c: 14.471 ± 0.003 Å
• α: 91.549 ± 0.004°
• β: 92.383 ± 0.004°
• γ: 113.406 ± 0.004°
• Cell volume: 1398.6 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 109.98 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: 0.0403
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No