Information card for entry 4305982

Structure parameters

• Formula: C16 H32 I3 O4 Pu
• Calculated formula: C16 H32 I3 O4 Pu
• SMILES: [Pu](I)(I)(I)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Low-Valent Molecular Plutonium Halide Complexes
• Authors of publication: Andrew J. Gaunt; Sean D. Reilly; Alejandro E. Enriquez; Trevor W. Hayton; James M. Boncella; Brian L. Scott; Mary P. Neu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8412 - 8419
• a: 8.6621 ± 0.0009 Å
• b: 17.2509 ± 0.0018 Å
• c: 16.5314 ± 0.0017 Å
• α: 90°
• β: 92.819 ± 0.001°
• γ: 90°
• Cell volume: 2467.3 ± 0.4 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 5
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No