Information card for entry 7248839

Structure parameters

• Formula: C19 H18.5 N1.5 O10 U
• Calculated formula: C19 H18.5 N1.5 O10 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: 13.397 ± 0.0004 Å
• b: 13.1905 ± 0.0004 Å
• c: 23.2768 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4113.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No