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Information card for entry 4518810
Preview
| Coordinates | 4518810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H13 Cl5 N4 Zn |
|---|---|
| Calculated formula | C19 H13 Cl5 N4 Zn |
| Title of publication | Zinc Stabilized Azo-anion Radical in Dehydrogenative Synthesis of N-Heterocycles. An Exclusively Ligand Centered Redox Controlled Approach |
| Authors of publication | Das, Siuli; Mondal, Rakesh; Chakraborty, Gargi; Guin, Amit Kumar; Das, Abhishek; Paul, Nanda D. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 12 |
| Pages of publication | 7498 - 7512 |
| a | 9.167 ± 0.003 Å |
| b | 9.525 ± 0.003 Å |
| c | 11.969 ± 0.004 Å |
| α | 79.705 ± 0.008° |
| β | 87.577 ± 0.008° |
| γ | 80.445 ± 0.008° |
| Cell volume | 1013.9 ± 0.6 Å3 |
| Cell temperature | 129 ± 2 K |
| Ambient diffraction temperature | 129 ± 2 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 | 0.0373 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0873 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266962 (current) | 2021-07-04 | cif/ Updating files of 4518810 Original log message: Adding full bibliography for 4518810.cif. |
4518810.cif |
| 266366 | 2021-06-11 | cif/ Adding structures of 4518810 via cif-deposit CGI script. |
4518810.cif |
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Users of the data should acknowledge the original authors of the
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