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Information card for entry 7714803
Preview
| Coordinates | 7714803.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H24 Co N6 P S3 |
|---|---|
| Calculated formula | C30 H24 Co N6 P S3 |
| SMILES | [Co]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)(Sc3[n]1cccn3)(Sc1[n]2cccn1)Sc1ncccn1 |
| Title of publication | Synergy of redox-activity and hemilability in thioamidato cobalt(III) complexes for the chemoselective reduction of nitroarenes to anilines: catalytic and mechanistic investigation. |
| Authors of publication | Gioftsidou, Dimitra K.; Kallitsakis, Michael G.; Kavaratzi, Konstantina; Hatzidimitriou, Antonios G.; Terzidis, Michael A.; Lykakis, Ioannis N.; Angaridis, Panagiotis A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 1469 - 1481 |
| a | 10.1905 ± 0.0015 Å |
| b | 11.2851 ± 0.0016 Å |
| c | 14.0183 ± 0.0019 Å |
| α | 97.77 ± 0.04° |
| β | 94.79 ± 0.04° |
| γ | 113.14 ± 0.04° |
| Cell volume | 1452.2 ± 0.6 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 | 0.0683 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for all reflections | 0.0876 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0721 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289493 (current) | 2024-02-04 | cif/ Updating files of 7714799, 7714800, 7714801, 7714802, 7714803, 7714804 Original log message: Adding full bibliography for 7714799--7714804.cif. |
7714803.cif |
| 288493 | 2023-12-22 | cif/ Adding structures of 7714799, 7714800, 7714801, 7714802, 7714803, 7714804 via cif-deposit CGI script. |
7714803.cif |
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Users of the data should acknowledge the original authors of the
structural data.