Information card for entry 4306380

Structure parameters

• Formula: C8 H9 F6 N3 O6 S2
• Calculated formula: C8 H9 F6 N3 O6 S2
• SMILES: C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.c1c[n+](cn1CC(=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: 9.399 ± 0.0007 Å
• b: 10.4524 ± 0.0007 Å
• c: 17.0877 ± 0.0013 Å
• α: 96.992 ± 0.004°
• β: 92.566 ± 0.005°
• γ: 108.232 ± 0.004°
• Cell volume: 1576.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0615
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1643
• 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