Information card for entry 1505758

Structure parameters

• Formula: C52 H88 Dy2 F36 N14 O44 S12
• Calculated formula: C52 H88 Dy2 F36 N14 O44 S12
• SMILES: [Dy]123([O]=C(O[Dy](OC(=O)C[N+](C)(C)C)(OC(=O)C[N+](C)(C)C)([O]=C(O3)C[N+](C)(C)C)([OH2])([OH2])([O]=C(O2)C[N+](C)(C)C)OC(=[O]1)C[N+](C)(C)C)C[N+](C)(C)C)(OC(=O)C[N+](C)(C)C)(OC(=O)C[N+](C)(C)C)([OH2])[OH2].S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F
• 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: 14.5423 ± 0.0004 Å
• b: 14.5866 ± 0.0003 Å
• c: 15.0399 ± 0.0004 Å
• α: 82.522 ± 0.002°
• β: 65.901 ± 0.001°
• γ: 71.849 ± 0.001°
• Cell volume: 2767.31 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No