Information card for entry 4306381

Structure parameters

• Formula: C9 H8 F6 N2 O6 S2
• Calculated formula: C9 H8 F6 N2 O6 S2
• SMILES: C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.c1cccc[n+]1CC(=O)O
• 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: 8.0812 ± 0.0003 Å
• b: 8.1092 ± 0.0003 Å
• c: 13.7815 ± 0.0005 Å
• α: 77.576 ± 0.002°
• β: 76.722 ± 0.002°
• γ: 62.659 ± 0.001°
• Cell volume: 774.49 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No