Information card for entry 2023530

Structure parameters

• Chemical name: Tris(2-methyl-1<i>H</i>-imidazol-3-ium) benzene-1,3,5-tricarboxylate
• Formula: C21 H24 N6 O6
• Calculated formula: C21 H24 N6 O6
• Title of publication: Crystal structure of tris(2-methyl-1H-imidazol-3-ium) benzene-1,3,5-tricarboxylate
• Authors of publication: Łukaszczyk, Weronika; Lohse, Allegra; Leibing, Julia; Yildizbas, Sudem; Rizvanovic, Irwana; Techert, Simone; Velazquez-Garcia, Jose de Jesus
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 7
• a: 8.8634 ± 0.0005 Å
• b: 10.3453 ± 0.0007 Å
• c: 11.6777 ± 0.0007 Å
• α: 74.199 ± 0.004°
• β: 79.749 ± 0.004°
• γ: 87.58 ± 0.004°
• Cell volume: 1013.85 ± 0.11 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No