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Information card for entry 7226054
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| Coordinates | 7226054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H32 Br4 Cd N2 |
|---|---|
| Calculated formula | C16 H32 Br4 Cd N2 |
| SMILES | [N+]12(CCCC1)CCCC2.[Cd](Br)(Br)([Br-])[Br-].[N+]12(CCCC1)CCCC2 |
| 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 | 9.2978 ± 0.0019 Å |
| b | 18.028 ± 0.004 Å |
| c | 14.049 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2354.9 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1835 |
| Residual factor for significantly intense reflections | 0.0742 |
| Weighted residual factors for significantly intense reflections | 0.1493 |
| Weighted residual factors for all reflections included in the refinement | 0.1883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| 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. |
7226054.cif |
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