Information card for entry 7123835

Structure parameters

• Formula: C40 H56 Cl4 Na2 Np O14
• Calculated formula: C40 H56 Cl4 Na2 Np O14
• Title of publication: Exploring Crown-Ether Functionalization on the Stabilization of Hexavalent Neptunium.
• Authors of publication: Pyrch, Mikaela; Williams, James; Forbes, Tori
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.991 Å
• b: 27.039 Å
• c: 10.637 Å
• α: 90°
• β: 92.82°
• γ: 90°
• Cell volume: 2582.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No