Information card for entry 2008210

Structure parameters

• Chemical name: 2,4,6-Trymethylpyridinium 3,5-dinitro-benzoate
• Formula: C15 H15 N3 O6
• Calculated formula: C15 H15 N3 O6
• Title of publication: Three 2,4,6-trimethylpyridine–benzoic acid complexes at 150K
• Authors of publication: Foces-Foces, C.; Llamas-Saiz, A.L.; Lorente, P; Golubev, N.S.; Limbach, H.-H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 377 - 381
• a: 7.5078 ± 0.0004 Å
• b: 7.319 ± 0.0004 Å
• c: 27.632 ± 0.008 Å
• α: 90°
• β: 92.06 ± 0.009°
• γ: 90°
• Cell volume: 1517.4 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.048
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for all reflections: 0.964
• Goodness-of-fit parameter for significantly intense reflections: 0.977
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes