Information card for entry 4515224

Structure parameters

• Formula: C8 H10 F6 N4 O4 S2
• Calculated formula: C8 H10 F6 N4 O4 S2
• SMILES: c1(cccc([n+]1C)N)N.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F
• Title of publication: Pyridinium Containing Amide Based Polymeric Ionic Liquids for CO2/CH4 Separation
• Authors of publication: Zulfiqar, Sonia; Mantione, Daniele; El Tall, Omar; Ruipérez, Fernando; Sarwar, Muhammad Ilyas; Rothenberger, Alexander; Mecerreyes, David
• Journal of publication: ACS Sustainable Chemistry & Engineering
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 10241
• a: 11.21892 ± 0.00011 Å
• b: 11.41336 ± 0.00011 Å
• c: 47.0823 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6028.68 ± 0.1 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No