Information card for entry 4306375

Structure parameters

• Formula: C32 H40 Cu2 F24 N12 O28 S8
• Calculated formula: C32 H40 Cu2 F24 N12 O28 S8
• SMILES: C1(Cn2c[n+](cc2)C)=[O][Cu]234([O]=C(Cn5c[n+](cc5)C)O[Cu]4(O1)([O]=C(Cn1c[n+](cc1)C)O3)([O]=C(Cn1c[n+](cc1)C)O2)[OH2])[OH2].FC(F)(S(=O)(=O)N=S([O-])(=O)C(F)(F)F)F.FC(F)(S(=O)([O-])=NS(=O)(=O)C(F)(F)F)F.O.FC(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F.FC(F)(F)S([O-])(=O)=NS(=O)(=O)C(F)(F)F.O
• 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: 8.2389 ± 0.0005 Å
• b: 14.2055 ± 0.0009 Å
• c: 14.6499 ± 0.001 Å
• α: 81.659 ± 0.004°
• β: 74.037 ± 0.005°
• γ: 75.644 ± 0.004°
• Cell volume: 1591.55 ± 0.18 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: 0.0845
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No