Information card for entry 7244313

Structure parameters

• Formula: C43 H82 N2 O16 U2
• Calculated formula: C43 H82 N2 O16 U2
• Title of publication: Plumbing the uncertainties of solvothermal synthesis involving uranyl ion carboxylate complexes
• Authors of publication: Harrowfield, Jack; Atoini, Youssef; Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 30.9868 ± 0.0018 Å
• b: 13.0858 ± 0.0007 Å
• c: 16.4519 ± 0.0009 Å
• α: 90°
• β: 115.924 ± 0.003°
• γ: 90°
• Cell volume: 5999.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No