Information card for entry 1559063

Structure parameters

• Formula: C33 H30 Br S Sb
• Calculated formula: C33 H30 Br S Sb
• SMILES: [Sb](Br)(c1ccccc1Sc1ccccc1)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(C)cc1
• 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: 16.7041 ± 0.0012 Å
• b: 10.2829 ± 0.0007 Å
• c: 17.9121 ± 0.0013 Å
• α: 90°
• β: 107.86 ± 0.002°
• γ: 90°
• Cell volume: 2928.4 ± 0.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No