Information card for entry 1552256

Structure parameters

• Formula: C238.88 H234 F48 N19.29 Na4 O87.2 S2
• Calculated formula: C238.876 H234 F48 N19.288 Na4 O87.2 S2
• Title of publication: Ion-pair induced supramolecular assembly formation for selective extraction and sensing of potassium sulfate
• Authors of publication: Jagleniec, Damian; Dobrzycki, Lukasz; Karbarz, Marcin; Romanski, Jan
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 38.656 ± 0.004 Å
• b: 18.5689 ± 0.0019 Å
• c: 22.026 ± 0.002 Å
• α: 90°
• β: 115.432 ± 0.003°
• γ: 90°
• Cell volume: 14278 ± 2 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1639
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2267
• Weighted residual factors for all reflections included in the refinement: 0.2684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.437
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No