Information card for entry 7713519

Structure parameters

• Formula: C15 H25 Cl F3 N O9 S
• Calculated formula: C14.999 H25 Cl F3 N O9 S
• Title of publication: 2-Chloroethylamine·Trifluoromethanesulfonate Combined with 18-Crown-6: a Ferroelectric with Excellent Dielectric Switching Properties
• Authors of publication: Song, Ning; Ying, Ting-Ting; Tan, Yu-Hui; Tang, Yun Zhi; Liao, Juan; Wang, Li Juan; Wang, Fang Xin; Wan, Ming-Yang
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.8615 ± 0.0011 Å
• b: 11.5618 ± 0.0018 Å
• c: 23.392 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2396.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.118
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.2304
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No