Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7226055
Preview
| Coordinates | 7226055.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H32 Br4 Cd N2 |
|---|---|
| Calculated formula | C16 H32 Br4 Cd N2 |
| SMILES | Br[Cd](Br)([Br-])[Br-].C1CCC[N+]21CCCC2.C1CCC[N+]21CCCC2 |
| Title of publication | A spiro-type ammonium based switchable dielectric material with two sequential reversible phase transitions above room temperature |
| Authors of publication | Wang, Xiao-Li; Zhou, Lin; Ye, Qiong; Geng, Fu-Juan; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.407 ± 0.012 Å |
| b | 18.17 ± 0.02 Å |
| c | 14.37 ± 0.017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2456 ± 5 Å3 |
| Cell temperature | 348 ± 2 K |
| Ambient diffraction temperature | 348 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.2598 |
| Residual factor for significantly intense reflections | 0.1482 |
| Weighted residual factors for significantly intense reflections | 0.3791 |
| Weighted residual factors for all reflections included in the refinement | 0.4467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.216 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184689 (current) | 2016-07-27 | cif/ Adding structures of 7226054, 7226055, 7226056 via cif-deposit CGI script. |
7226055.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.