Information card for entry 4319800

Structure parameters

• Formula: C3 H18 F9 O18 Pu S3
• Calculated formula: C3 H18 F9 O18 Pu S3
• SMILES: C(F)(S(=O)(=O)[O-])(F)F.O.[OH2][Pu]([OH2])([OH2])([OH2])([OH2])[OH2].FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].O.O
• Title of publication: High-Yield Synthesis and Single-Crystal X-ray Structure of a Plutonium(III) Aquo Complex: [Pu(H2O)9][CF3SO3]3
• Authors of publication: John H. Matonic; Brian L. Scott; Mary P. Neu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2638 - 2639
• a: 13.9283 ± 0.0006 Å
• b: 13.9283 ± 0.0006 Å
• c: 7.3816 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1240.16 ± 0.1 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for all reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0452
• Goodness-of-fit parameter for all reflections: 1.217
• Goodness-of-fit parameter for significantly intense reflections: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No