Information card for entry 1565640

Structure parameters

• Formula: C3 H8 Cl N O4
• Calculated formula: C3 H8 Cl N O4
• SMILES: Cl(=O)(=O)(=O)[O-].[NH3+]C1CC1
• Title of publication: Large dielectric switch effects induced by an order-disorder transformation in cyclopropylamine perchlorate crystals.
• Authors of publication: Gao, Zhangran; Wu, Yuying; Jiao, Shulin; Tang, Zheng; Sun, Xiaofan; Li, Dong; Cai, Hong-Ling; Wu, X. S.
• Journal of publication: Nanoscale
• Year of publication: 2022
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 675 - 679
• a: 8.1 ± 0.002 Å
• b: 8.269 ± 0.002 Å
• c: 9.997 ± 0.003 Å
• α: 90°
• β: 99.57 ± 0.03°
• γ: 90°
• Cell volume: 660.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1148
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.2248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9533
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No