Information card for entry 7700046

Structure parameters

• Formula: C24 H52 Cl4 Na2 Np O16
• Calculated formula: C24 H52 Cl4 Na2 Np O16
• SMILES: C1C[O]2CC[O](CC[O]3CC[O]4CC[O]5CC[O]16)[Na]23456.C1C[O]2CC[O](CC[O]3CC[O]4CC[O]5CC[O]16)[Na]23456.Cl[Np](Cl)(Cl)(Cl)([O-])[O-].O.O
• Title of publication: Actinyl-cation interactions: experimental and theoretical assessment of [Np(vi)O₂Cl₄]^2- and [U(vi)O₂Cl₄]^2- systems.
• Authors of publication: Bjorklund, Jennifer L.; Pyrch, Mikaela M.; Basile, Madeline C.; Mason, Sara E.; Forbes, Tori Z.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 8861 - 8871
• a: 14.117 ± 0.003 Å
• b: 9.517 ± 0.002 Å
• c: 14.336 ± 0.003 Å
• α: 90°
• β: 101.388 ± 0.008°
• γ: 90°
• Cell volume: 1888.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0284
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No