Information card for entry 7248835

Structure parameters

• Formula: C15 H19 N O8 U
• Calculated formula: C15 H19 N 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: 8.4357 ± 0.0004 Å
• b: 10.8597 ± 0.0005 Å
• c: 10.93 ± 0.0005 Å
• α: 107.615 ± 0.002°
• β: 98.577 ± 0.002°
• γ: 110.983 ± 0.0019°
• Cell volume: 852.93 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0144
• Residual factor for significantly intense reflections: 0.0139
• Weighted residual factors for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0343
• 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: No
• Has Fobs: No