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Information card for entry 1572434
Preview
| Coordinates | 1572434.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H38 Co N2 O P2 |
|---|---|
| Calculated formula | C42 H38 Co N2 O P2 |
| SMILES | C1CCCO1.[Co]123[N](c4c(cccc4)[P]3(c3ccccc3)c3ccccc3)=CC=[N]1c1c(cccc1)[P]2(c1ccccc1)c1ccccc1 |
| Title of publication | Hydrogen atom abstraction as a synthetic route to a square planar Co<sup>II</sup> complex with a redox-active tetradentate PNNP ligand. |
| Authors of publication | Miller, Justin D.; Walsh, Mitchell M.; Lee, Kyounghoon; Moore, Curtis E.; Thomas, Christine M. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 37 |
| Pages of publication | 15311 - 15320 |
| a | 15.4283 ± 0.0009 Å |
| b | 9.7434 ± 0.0005 Å |
| c | 12.9567 ± 0.0008 Å |
| α | 90° |
| β | 120.359 ± 0.002° |
| γ | 90° |
| Cell volume | 1680.63 ± 0.17 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0294 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0622 |
| Weighted residual factors for all reflections included in the refinement | 0.0632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295170 (current) | 2024-10-06 | cif/ Updating files of 1572433, 1572434, 1572435, 1572436, 1572437, 1572438, 1572439 Original log message: Adding full bibliography for 1572433--1572439.cif. |
1572434.cif |
| 294300 | 2024-08-31 | cif/ Adding structures of 1572433, 1572434, 1572435, 1572436, 1572437, 1572438, 1572439 via cif-deposit CGI script. |
1572434.cif |
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Users of the data should acknowledge the original authors of the
structural data.