Information card for entry 4306376

Structure parameters

• Formula: C36 H52 Cu2 F24 N8 O28 S8
• Calculated formula: C36 H52 Cu2 F24 N8 O28 S8
• SMILES: C1COCC[N+]1(C)CC1=[O][Cu]234([O]=C(C[N+]5(CCOCC5)C)O[Cu]2([O]=C(C[N+]2(CCOCC2)C)O4)([O]=C(C[N+]2(CCOCC2)C)O3)(OS(=NS(=O)(=O)C(F)(F)F)(=O)C(F)(F)F)O1)OS(=NS(=O)(=O)C(F)(F)F)(=O)C(F)(F)F.FC(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.FC(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F
• 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: 14.8237 ± 0.0005 Å
• b: 15.5544 ± 0.0005 Å
• c: 14.8893 ± 0.0005 Å
• α: 90°
• β: 92.131 ± 0.002°
• γ: 90°
• Cell volume: 3430.7 ± 0.2 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: 0.0572
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No