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Information card for entry 1550279
Preview
| Coordinates | 1550279.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H32 Cl4 Co2 N4 S2 |
|---|---|
| Calculated formula | C20 H32 Cl4 Co2 N4 S2 |
| Title of publication | Phosphine-Free Pincer Cobalt Catalyst Precursors for the Selective Hydrogenation of Olefins |
| Authors of publication | Puylaert, Pim; Dell'Acqua, Andrea; El Ouahabi, Fatima; Spannenberg, Anke; Roisnel, Thierry; Lefort, Laurent; Hinze, Sandra; Tin, Sergey; de Vries, Johannes G. |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2019 |
| a | 7.6862 ± 0.0003 Å |
| b | 11.1085 ± 0.0004 Å |
| c | 17.7851 ± 0.0006 Å |
| α | 72.8236 ± 0.001° |
| β | 88.0499 ± 0.0011° |
| γ | 70.2746 ± 0.001° |
| Cell volume | 1362.03 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0236 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.0537 |
| Weighted residual factors for all reflections included in the refinement | 0.0554 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212157 (current) | 2018-11-24 | cif/ Adding structures of 1550279, 1550280 via cif-deposit CGI script. |
1550279.cif |
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Users of the data should acknowledge the original authors of the
structural data.