Information card for entry 7123834

Structure parameters

• Formula: C120 H188 Cl12 K6 Np3 O42
• Calculated formula: C120 H188 Cl12 K6 Np3 O42
• 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: 14.4462 ± 0.0013 Å
• b: 20.1311 ± 0.0017 Å
• c: 25.473 ± 0.002 Å
• α: 90°
• β: 91.278 ± 0.003°
• γ: 90°
• Cell volume: 7406.2 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No