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Information card for entry 7237825
Preview
| Coordinates | 7237825.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H18 B Cl2 F4 N3 |
|---|---|
| Calculated formula | C6 H18 B Cl2 F3.9998 N3 |
| Title of publication | A high temperature optic-electric duple switching organic ionic compound: 1,4,7-triazoniacyclononane tetrafluoroborate dichloride |
| Authors of publication | Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Liao, Wei-Qiang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 18 |
| Pages of publication | 5348 |
| a | 8.1276 ± 0.0007 Å |
| b | 8.1276 ± 0.0007 Å |
| c | 10.5327 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 602.55 ± 0.1 Å3 |
| Cell temperature | 413 ± 2 K |
| Ambient diffraction temperature | 413 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.1203 |
| Residual factor for significantly intense reflections | 0.1161 |
| Weighted residual factors for significantly intense reflections | 0.3897 |
| Weighted residual factors for all reflections included in the refinement | 0.3973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.959 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238643 (current) | 2019-11-24 | cif/ Adding structures of 7237824, 7237825 via cif-deposit CGI script. |
7237825.cif |
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Users of the data should acknowledge the original authors of the
structural data.