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Information card for entry 7233944
Preview
| Coordinates | 7233944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H12 Cl F2 N O4 |
|---|---|
| Calculated formula | C7 H13 Cl F2 N O4 |
| Title of publication | Exceptional dielectric performance induced by the stepwise reversible phase transitions of an organic crystal: betainium chlorodifluoroacetate |
| Authors of publication | Zhihua Sun; Shuquan Zhang; Chengmin Ji; Tianliang Chen; Junhua Luo |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 10337 - 10342 |
| a | 5.8905 ± 0.0003 Å |
| b | 7.5414 ± 0.0005 Å |
| c | 12.7949 ± 0.0007 Å |
| α | 90° |
| β | 95.151 ± 0.005° |
| γ | 90° |
| Cell volume | 566.09 ± 0.06 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.1026 |
| Residual factor for significantly intense reflections | 0.0862 |
| Weighted residual factors for significantly intense reflections | 0.1699 |
| Weighted residual factors for all reflections included in the refinement | 0.1799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218526 (current) | 2019-09-19 | cif/ Adding structures of 7233944 via cif-deposit CGI script. |
7233944.cif |
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Users of the data should acknowledge the original authors of the
structural data.