Information card for entry 4301463

Structure parameters

• Formula: C72 H60 Cl2 O14 P4 U
• Calculated formula: C72 H60 Cl2 O14 P4 U
• SMILES: c1ccccc1P(c1ccccc1)(=[O][U](=O)(=O)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Complex Formation of Uranyl Ion with Triphenylphosphine Oxide and Its Ligand Exchange Reaction in 1-Butyl-3-methylimidazolium Nonafluorobutanesulfonate Ionic Liquid
• Authors of publication: Koichiro Takao; Takafumi Takahashi; Yasuhisa Ikeda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1744 - 1752
• a: 9.748 ± 0.005 Å
• b: 24.977 ± 0.012 Å
• c: 13.99 ± 0.009 Å
• α: 90°
• β: 99.64 ± 0.05°
• γ: 90°
• Cell volume: 3358 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No