Information card for entry 1505755

Structure parameters

• Formula: C7 H12 F6 N2 O6 S2
• Calculated formula: C7 H12 F6 N2 O6 S2
• SMILES: C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.C(=O)(C[N+](C)(C)C)O
• Title of publication: Task-specific ionic liquid for solubilizing metal oxides.
• Authors of publication: Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2006
• Journal volume: 110
• Journal issue: 42
• Pages of publication: 20978 - 20992
• a: 23.4721 ± 0.0008 Å
• b: 10.2027 ± 0.0004 Å
• c: 25.5957 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6129.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No