Information card for entry 8102182

Structure parameters

• Chemical name: bis(3-hydroxypyridinium) 1,4-benzenedicarboxylate
• Formula: C18 H16 N2 O6
• Calculated formula: C18 H16 N2 O6
• Title of publication: Crystal structure of bis(3-hydroxypyridinium) 1,4-benzenedicarboxylate, [C5NH5(OH)]2[C6H4(COO)2]
• Authors of publication: Jing-Cai Yao; Jian-Hua Qin; Qing-Bo Sun; Li Qu; Yan-Ge Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 11
• a: 4.9775 ± 0.0009 Å
• b: 15.705 ± 0.003 Å
• c: 10.6234 ± 0.0018 Å
• α: 90°
• β: 100.201 ± 0.002°
• γ: 90°
• Cell volume: 817.3 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0522
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No