Information card for entry 4306382

Structure parameters

• Formula: C9 H14 F6 N2 O6 S2
• Calculated formula: C9 H14 F6 N2 O6 S2
• SMILES: C(F)(F)(F)S(=O)(=O)N=S(=O)([O-])C(F)(F)F.C1CCC[N+]1(CC(=O)O)C
• Title of publication: Carboxyl-Functionalized Task-Specific Ionic Liquids for Solubilizing Metal Oxides
• Authors of publication: Peter Nockemann; Ben Thijs; Tatjana N. Parac-Vogt; Kristof Van Hecke; Luc Van Meervelt; Bernard Tinant; Ingo Hartenbach; Thomas Schleid; Vu Thi Ngan; Minh Tho Nguyen; Koen Binnemans
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9987 - 9999
• a: 15.6959 ± 0.0016 Å
• b: 7.0808 ± 0.0008 Å
• c: 15.309 ± 0.0013 Å
• α: 90°
• β: 108.721 ± 0.004°
• γ: 90°
• Cell volume: 1611.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No