Information card for entry 7719720

Structure parameters

• Formula: C4 H10 Np O8
• Calculated formula: C4 H10 Np O8
• Title of publication: Crystallography, DFT study and nature of the bonding in the series of AnO₂²⁺ acetates (An = U, Np, Pu).
• Authors of publication: Krot, Anna D.; Grigoriev, Mikhail S.; Pankin, Ilia A.; Guda, Alexander A.; Fedoseev, Alexander M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 45
• Pages of publication: 16848 - 16856
• a: 6.8194 ± 0.0004 Å
• b: 9.4879 ± 0.0006 Å
• c: 14.782 ± 0.0009 Å
• α: 90°
• β: 92.768 ± 0.002°
• γ: 90°
• Cell volume: 955.31 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No