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Information card for entry 7714084
Preview
| Coordinates | 7714084.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H23 Co I2 N2 |
|---|---|
| Calculated formula | C19 H23 Co I2 N2 |
| SMILES | I[Co]12345([n]6c7c(cccc7[NH2]1)ccc6)[c]1([c]4([c]3([c]5([c]21C)C)C)C)C.[I-] |
| Title of publication | Hydrogenation and Dehydrogenation of N-Heterocycles Under Cp*Co(III)-Catalysis |
| Authors of publication | Dahiya, Pardeep; Garg, Nidhi; Poli, Rinaldo; Sundararaju, Basker |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 14.4152 ± 0.0003 Å |
| b | 9.136 ± 0.0002 Å |
| c | 15.1178 ± 0.0003 Å |
| α | 90° |
| β | 92.25 ± 0.001° |
| γ | 90° |
| Cell volume | 1989.44 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0184 |
| Residual factor for significantly intense reflections | 0.0162 |
| Weighted residual factors for significantly intense reflections | 0.0379 |
| Weighted residual factors for all reflections included in the refinement | 0.0392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0508 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286629 (current) | 2023-10-03 | cif/ Adding structures of 7714082, 7714083, 7714084 via cif-deposit CGI script. |
7714084.cif |
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Users of the data should acknowledge the original authors of the
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