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Information card for entry 4514645
Preview
| Coordinates | 4514645.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H53 Co N2 |
|---|---|
| Calculated formula | C45 H53 Co N2 |
| Title of publication | Cobalt-Catalyzed Hydrogenations via Olefin Cobaltate and Hydride Intermediates |
| Authors of publication | Sandl, Sebastian; Maier, Thomas M.; van Leest, Nicolaas P.; Kröncke, Susanne; Chakraborty, Uttam; Demeshko, Serhiy; Koszinowski, Konrad; de Bruin, Bas; Meyer, Franc; Bodensteiner, Michael; Herrmann, Carmen; Wolf, Robert; Jacobi von Wangelin, Axel |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 7596 |
| a | 12.3103 ± 0.0003 Å |
| b | 12.6855 ± 0.0003 Å |
| c | 13.5302 ± 0.0004 Å |
| α | 69.519 ± 0.002° |
| β | 77.844 ± 0.002° |
| γ | 79.251 ± 0.002° |
| Cell volume | 1920.22 ± 0.09 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0335 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.0825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4514645.cif |
| 219827 | 2019-10-28 | cif/ Adding structures of 4514644, 4514645, 4514646, 4514647, 4514648, 4514649 via cif-deposit CGI script. |
4514645.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.