Information card for entry 1505757

Structure parameters

• Formula: C52 H88 Cu3 F36 N14 O44 S12
• Calculated formula: C52 H88 Cu3 F36 N14 O44 S12
• SMILES: [Cu](OC(=O)C[N+](C)(C)C)(OC(=O)C[N+](C)(C)C)(OC(=O)C[N+](C)(C)C)OC(=O)C[N+](C)(C)C.[Cu]1234([Cu]([O]=C(O3)C[N+](C)(C)C)(OC(=[O]4)C[N+](C)(C)C)([OH2])([O]=C(O1)C[N+](C)(C)C)OC(=[O]2)C[N+](C)(C)C)[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.O.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: 15.2183 ± 0.0002 Å
• b: 26.1383 ± 0.0003 Å
• c: 15.6211 ± 0.0002 Å
• α: 90°
• β: 117.554 ± 0.001°
• γ: 90°
• Cell volume: 5508.97 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No