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Information card for entry 1572437
Preview
| Coordinates | 1572437.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H60 Co K N2 O6 P2 |
|---|---|
| Calculated formula | C56 H60 Co K N2 O6 P2 |
| 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 | 11.1913 ± 0.0004 Å |
| b | 13.9843 ± 0.0006 Å |
| c | 17.7609 ± 0.0008 Å |
| α | 76.602 ± 0.001° |
| β | 83.396 ± 0.001° |
| γ | 67.358 ± 0.001° |
| Cell volume | 2494.54 ± 0.18 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0626 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0897 |
| Weighted residual factors for all reflections included in the refinement | 0.1011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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 | Yes |
| 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. |
1572437.cif |
| 294300 | 2024-08-31 | cif/ Adding structures of 1572433, 1572434, 1572435, 1572436, 1572437, 1572438, 1572439 via cif-deposit CGI script. |
1572437.cif |
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Users of the data should acknowledge the original authors of the
structural data.