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Information card for entry 7249394
Preview
| Coordinates | 7249394.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H25 B N9 Na S3 |
|---|---|
| Calculated formula | C27 H25 B N9 Na S3 |
| 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 | 17.1463 ± 0.0005 Å |
| b | 17.1463 ± 0.0005 Å |
| c | 17.0555 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4342.5 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.0399 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7249394.cif |
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Users of the data should acknowledge the original authors of the
structural data.