Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2243822
Preview
| Coordinates | 2243822.cif |
|---|---|
| Structure factors | 2243822.hkl |
| Original IUCr paper | HTML |
| Common name | Superhydride |
|---|---|
| Chemical name | Potassium triethylhydridoborate |
| Formula | C6 H16 B K |
| Calculated formula | C6 H16 B K |
| Title of publication | Crystal structure of potassium triethylhydridoborate (`superhydride') |
| Authors of publication | Fecker, Ann Christin; Freytag, Matthias; Walter, Marc D.; Jones, Peter G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 592 - 595 |
| a | 7.4758 ± 0.0003 Å |
| b | 7.6682 ± 0.0006 Å |
| c | 14.801 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 848.48 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0447 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0641 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265085 (current) | 2021-05-11 | cif/ hkl/ Adding structures of 2243822 via cif-deposit CGI script. |
2243822.cif 2243822.hkl |
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.