Information card for entry 2104713

Structure parameters

• Formula: C6 H6 Cl N O6
• Calculated formula: C6 H6 Cl N O6
• Title of publication: Reversible phase transition of pyridinium-3-carboxylic acid perchlorate
• Authors of publication: Ye, Heng-Yun; Chen, Li-Zhuang; Xiong, Ren-Gen
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: 387 - 395
• a: 7.404 ± 0.006 Å
• b: 16.793 ± 0.011 Å
• c: 7.751 ± 0.006 Å
• α: 90°
• β: 112.817 ± 0.01°
• γ: 90°
• Cell volume: 888.3 ± 1.2 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 5
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No