Information card for entry 7231662

Structure parameters

• Formula: C7 H14 Cl N O5
• Calculated formula: C7 H14 Cl N O5
• Title of publication: [C7H14NO][ClO4]: order‒disorder structural change induced sudden switchable dielectric behaviour at room temperature
• Authors of publication: Fan, Guang-Meng; Gao, Ji-Xing; Shi, Chao; Yu, Hui; Ye, Le; Jiang, Jia-Ying; Shuai, Cijun; Zhang, Yi; Ye, Heng-Yun
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 44
• Pages of publication: 7058
• a: 11.7255 ± 0.0006 Å
• b: 8.2616 ± 0.0006 Å
• c: 10.4236 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1009.75 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.3086
• Weighted residual factors for all reflections included in the refinement: 0.3265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No