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Information card for entry 7129773
Preview
| Coordinates | 7129773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H28 N2 S4 Zn |
|---|---|
| Calculated formula | C29 H28 N2 S4 Zn |
| SMILES | [Zn]12([S](C)c3ccccc3N1Cc1ccccc1SC)Sc1ccccc1[N]2=Cc1ccccc1SC |
| Title of publication | SNS ligand-assisted catalyst activation in Zn-catalysed carbonyl hydroboration |
| Authors of publication | Ataie, Saeed; Hogeterp, Seth; Ovens, Jeffrey S.; Baker, R. Tom |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 10.7382 ± 0.0009 Å |
| b | 11.2465 ± 0.0011 Å |
| c | 12.8901 ± 0.0012 Å |
| α | 68.17 ± 0.003° |
| β | 68.707 ± 0.003° |
| γ | 87.56 ± 0.003° |
| Cell volume | 1338.7 ± 0.2 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 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 | 0.0785 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.0748 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273209 (current) | 2022-03-03 | cif/ Adding structures of 7129771, 7129772, 7129773, 7129774, 7129775 via cif-deposit CGI script. |
7129773.cif |
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Users of the data should acknowledge the original authors of the
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