Information card for entry 7112454

Structure parameters

• Formula: C19 H37 F12 N2 O18 P3 S4 U
• Calculated formula: C19 H37 F12 N2 O18 P3 S4 U
• SMILES: [U](=O)(=O)(OC(=O)C[P+](C)(C)C)(OC(=O)C[P+](C)(C)C)(OC(=O)C[P+](C)(C)C)([OH2])[OH2].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
• Title of publication: Directed nucleation of monomeric and dimeric uranium(VI) complexes with a room temperature carboxyl-functionalized phosphonium ionic liquid.
• Authors of publication: Chen, Xiao-Yan; Goff, George S.; Quiroz-Guzman, Mauricio; Fagnant, Jr, Daniel P; Brennecke, Joan F.; Scott, Brian L.; Runde, Wolfgang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 19
• Pages of publication: 1903 - 1905
• a: 8.3319 ± 0.0007 Å
• b: 21.0439 ± 0.0019 Å
• c: 24.947 ± 0.002 Å
• α: 100.891 ± 0.001°
• β: 90.379 ± 0.001°
• γ: 96.996 ± 0.001°
• Cell volume: 4261.4 ± 0.6 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108894
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No