Information card for entry 7248837

Structure parameters

• Formula: C20 H20 N2 O8 U
• Calculated formula: C20 H20 N2 O8 U
• Title of publication: 4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes
• Authors of publication: ATOINI, Youssef; Harrowfield, Jack; Thuéry, Pierre
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 11.5459 ± 0.0008 Å
• b: 7.6285 ± 0.0005 Å
• c: 23.9919 ± 0.0018 Å
• α: 90°
• β: 93.933 ± 0.003°
• γ: 90°
• Cell volume: 2108.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.443
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No