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Information card for entry 7236071
Preview
| Coordinates | 7236071.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236071.cif |
| 233896 | 2019-11-23 | cif/ Adding structures of 7236070, 7236071 via cif-deposit CGI script. |
7236071.cif |
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Users of the data should acknowledge the original authors of the
structural data.