Information card for entry 7232357

Structure parameters

• Formula: C6 H10 Cl2 N2 O8
• Calculated formula: C6 H10 Cl2 N2 O8
• Title of publication: Molecular ferroelectric pyridin-2-ylmethanaminium perchlorate with phase transition induced by disorder of perchlorate
• Authors of publication: Gan, Xuecheng; Tang, Zheng; Zhang, Wenjun; Xu, Cong; Sun, Xiaofan; Gao, Zhangran; Wu, Yizhang; Cai, Hong-Ling; Wu, X. S.
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 5470
• a: 11.868 ± 0.007 Å
• b: 15.208 ± 0.009 Å
• c: 13.24 ± 0.008 Å
• α: 90°
• β: 92.47 ± 0.009°
• γ: 90°
• Cell volume: 2387 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0902
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No