Information card for entry 2019887

Structure parameters

• Chemical name: 2-Carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1)
• Formula: C12 H11 Cl N2 O8
• Calculated formula: C12 H11 Cl N2 O8
• Title of publication: Reversible phase transition of 2-carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1)
• Authors of publication: Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Yun-Hua; Sun, Jing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• a: 20.904 ± 0.004 Å
• b: 11.953 ± 0.002 Å
• c: 12.018 ± 0.002 Å
• α: 90°
• β: 108.18 ± 0.03°
• γ: 90°
• Cell volume: 2853 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes