Information card for entry 7248836

Structure parameters

• Formula: C20 H28 N2 O9 U
• Calculated formula: C20 H28 N2 O9 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: 8.9441 ± 0.0004 Å
• b: 15.7697 ± 0.0008 Å
• c: 18.0045 ± 0.001 Å
• α: 90°
• β: 102.834 ± 0.002°
• γ: 90°
• Cell volume: 2476 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No