Information card for entry 1516415

Structure parameters

• Formula: C7 H14 F6 N2 O5 S2
• Calculated formula: C7 H14 F6 N2 O5 S2
• SMILES: N(=S([O-])(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.[N+](C)(C)(C)CCO
• Title of publication: Temperature-driven mixing-demixing behavior of binary mixtures of the ionic liquid choline bis(trifluoromethylsulfonyl)imide and water.
• Authors of publication: Nockemann, Peter; Binnemans, Koen; Thijs, Ben; Parac-Vogt, Tatjana N; Merz, Klaus; Mudring, Anja-Verena; Menon, Preethy Chirukandath; Rajesh, Ravindran Nair; Cordoyiannis, George; Thoen, Jan; Leys, Jan; Glorieux, Christ
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2009
• Journal volume: 113
• Journal issue: 5
• Pages of publication: 1429 - 1437
• a: 9.657 ± 0.005 Å
• b: 11.141 ± 0.009 Å
• c: 14.651 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1576 ± 2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1943
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2137
• Weighted residual factors for all reflections included in the refinement: 0.2869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No