Information card for entry 8106724

Structure parameters

• Formula: C11 H16 N2 O7
• Calculated formula: C11 H16 N2 O7
• Title of publication: Crystal structure of trimethyammonium 2,6-dicarboxyisonicotinate monohydrate, C11H16N2O7
• Authors of publication: Zeng, Huahui; Shen, Qianjin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 929 - 930
• a: 13.753 ± 0.003 Å
• b: 6.9471 ± 0.0015 Å
• c: 13.797 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1318.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.671
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No