Information card for entry 7236071

Structure parameters

• Formula: C8 H14 F3 N O2
• Calculated formula: C8 H14 F3 N O2
• Title of publication: Thermal energy storage in a supramolecular assembly of [C6H11NH3]+[CF3COO]−(C6H11 = cyclohexyl)
• Authors of publication: Guo, Jiangbin; Tang, Wen; Wu, Binbin; Zhao, Haixia; Long, Lasheng; Zheng, Lansun
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 24
• Pages of publication: 12616
• a: 17.264 ± 0.003 Å
• b: 6.5684 ± 0.0002 Å
• c: 17.7966 ± 0.0019 Å
• α: 90°
• β: 91.4 ± 0.02°
• γ: 90°
• Cell volume: 2017.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No