Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7249393
Preview
| Coordinates | 7249393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H31 B N9 Na |
|---|---|
| Calculated formula | C33 H31 B N9 Na |
| Title of publication | Optimised syntheses and purifications of 3-aryl/heterocyclic dihydrobis- and hydrotris-(pyrazolyl)borate ligands as their alkali salts |
| Authors of publication | Thomas, Jarrod R.; Mifsud, Jonathan T.; Sulway, Scott A. |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 42 |
| Pages of publication | 30713 - 30718 |
| a | 14.9362 ± 0.0003 Å |
| b | 14.9362 ± 0.0003 Å |
| c | 8.0716 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1559.45 ± 0.07 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 147 |
| Hermann-Mauguin space group symbol | P -3 |
| Hall space group symbol | -P 3 |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294917 (current) | 2024-09-27 | cif/ Adding structures of 7249393, 7249394, 7249395, 7249396, 7249397, 7249398 via cif-deposit CGI script. |
7249393.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.