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Information card for entry 1570363
Preview
| Coordinates | 1570363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Cobaltbromide_Pyridine3_methylpyrazole |
|---|---|
| Formula | C10 H11 Br2 Co N3 |
| Calculated formula | C10 H11 Br2 Co N3 |
| SMILES | Br[Co]1(Br)[n]2c(Cn3[n]1c(C)cc3)cccc2 |
| Title of publication | A general and expedient amination of alcohols catalysed by a single-site (NN)Co(ii)-bidentate complex under solventless conditions |
| Authors of publication | Kumar, Rohit; Srivastava, Ankit Kumar; Nagarasu, Palaniyappan; Madhu, Vedichi; Balaraman, Ekambaram |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 1 |
| Pages of publication | 98 - 109 |
| a | 7.948 ± 0.002 Å |
| b | 8.256 ± 0.002 Å |
| c | 10.775 ± 0.003 Å |
| α | 75.188 ± 0.008° |
| β | 78.772 ± 0.008° |
| γ | 73.732 ± 0.008° |
| Cell volume | 650.4 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0249 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.0588 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289311 (current) | 2024-02-04 | cif/ Updating files of 1570363 Original log message: Adding full bibliography for 1570363.cif. |
1570363.cif |
| 287742 | 2023-11-23 | cif/ Adding structures of 1570363 via cif-deposit CGI script. |
1570363.cif |
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Users of the data should acknowledge the original authors of the
structural data.