Information card for entry 4306377

Structure parameters

• Formula: C36 H52 Cu2 F24 N8 O26 S8
• Calculated formula: C36 H52 Cu2 F24 N8 O26 S8
• SMILES: C1CCC[N+]1(CC1=[O][Cu]234([O]=C(O[Cu]4(O1)([O]=C(C[N+]1(CCCC1)C)O2)([O]=C(O3)C[N+]1(CCCC1)C)[OH2])C[N+]1(CCCC1)C)[OH2])C.FC(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.FC(F)(S(=O)([O-])=NS(=O)(=O)C(F)(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: 10.363 ± 0.002 Å
• b: 11.112 ± 0.002 Å
• c: 16.118 ± 0.003 Å
• α: 75.95 ± 0.03°
• β: 78.11 ± 0.03°
• γ: 89.73 ± 0.03°
• Cell volume: 1759.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0614
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No