Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8000419
Preview
Coordinates | 8000419.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H14 B3 F12 N2 Rb |
---|---|
Calculated formula | C6 H14 B3 F12 N2 Rb |
Title of publication | Three-Dimensional Metal-Free Molecular Perovskite with a Thermally Induced Switchable Dielectric Response. |
Authors of publication | Chu, Lu-Lu; Zhang, Tie; Zhang, Wan-Ying; Shi, Ping-Ping; Gao, Ji-Xing; Ye, Qiong; Fu, Da-Wei |
Journal of publication | The journal of physical chemistry letters |
Year of publication | 2020 |
Pages of publication | 1668 - 1674 |
a | 14.2492 ± 0.0002 Å |
b | 14.2492 ± 0.0002 Å |
c | 14.2492 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2893.15 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 205 |
Hermann-Mauguin space group symbol | P a -3 |
Hall space group symbol | -P 2ac 2ab 3 |
Residual factor for all reflections | 0.0832 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1153 |
Weighted residual factors for all reflections included in the refinement | 0.1275 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
248717 (current) | 2020-03-04 | cif/ Updating files of 8000416, 8000417, 8000418, 8000419 Original log message: Adding full bibliography for 8000416--8000419.cif. |
8000419.cif |
248187 | 2020-02-15 | cif/ Adding structures of 8000419 via cif-deposit CGI script. |
8000419.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.