Information card for entry 4305980

Structure parameters

• Formula: C16 H32 Br3 O4 Pu
• Calculated formula: C16 H32 Br3 O4 Pu
• SMILES: [Pu](Br)(Br)(Br)([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: 8.1698 ± 0.0012 Å
• b: 9.3859 ± 0.0014 Å
• c: 15.414 ± 0.002 Å
• α: 78.526 ± 0.002°
• β: 86.813 ± 0.002°
• γ: 74.934 ± 0.002°
• Cell volume: 1118.5 ± 0.3 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No