Information card for entry 4315293

Structure parameters

• Formula: C38 H66 F24 N10 O34 S8 U2
• Calculated formula: C38 H66 F24 N10 O34 S8 U2
• SMILES: C(=O)(C[N+](C)(C)C)O[U]1(OC(=[O][U](OC(=O)C[N+](C)(C)C)(OC(=O)C[N+](C)(C)C)([O]=C(C[N+](C)(C)C)O1)(=O)(=O)[OH2])C[N+](C)(C)C)(OC(=O)C[N+](C)(C)C)(=O)(=O)[OH2].C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)([O-])=NS(=O)(=O)C(F)(F)F
• Title of publication: Uranyl Complexes of Carboxyl-Functionalized Ionic Liquids
• Authors of publication: Peter Nockemann; Rik Van Deun; Ben Thijs; Diederik Huys; Evert Vanecht; Kristof Van Hecke; Luc Van Meervelt; Koen Binnemans
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3351 - 3360
• a: 11.276 ± 0.003 Å
• b: 10.216 ± 0.003 Å
• c: 33.954 ± 0.01 Å
• α: 90°
• β: 90.324 ± 0.01°
• γ: 90°
• Cell volume: 3911.3 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No