Information card for entry 4134927

Structure parameters

• Common name: Plutonium(IV) benzoate chain
• Formula: C84 H60 O24 Pu3
• Calculated formula: C84 H60 O24 Pu3
• Title of publication: Advancement of Actinide Metal-Organic Framework Chemistry via Synthesis of Pu-UiO-66.
• Authors of publication: Hastings, Ashley; Ray, Debmalya; Jeong, WooSeok; Gagliardi, Laura; Farha, Omar K.; Hixon, Amy E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 22.596 ± 0.003 Å
• b: 15.3727 ± 0.0018 Å
• c: 25.369 ± 0.003 Å
• α: 90°
• β: 116.2 ± 0.001°
• γ: 90°
• Cell volume: 7906.8 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0765
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No