Information card for entry 1552258

Structure parameters

• Formula: C58.59 H61.07 F12 K2 N6.71 O22.3
• Calculated formula: C58.593 H61.068 F12.003 K2 N6.706 O22.295
• 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: 11.6762 ± 0.0005 Å
• b: 14.1244 ± 0.0007 Å
• c: 20.872 ± 0.001 Å
• α: 100.775 ± 0.0016°
• β: 91.7229 ± 0.0017°
• γ: 99.9343 ± 0.0017°
• Cell volume: 3323.9 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.0441
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No