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Information card for entry 7125612
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| Coordinates | 7125612.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H110 N8 Ni |
|---|---|
| Calculated formula | C78 H110 N8 Ni |
| Title of publication | Unprecedented redox-driven ligand ejection in nickel(II)-diiminosemiquinonate radical complexes. |
| Authors of publication | Leconte, N.; Ciccione, J.; Gellon, G.; Philouze, C.; Thomas, F. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2014 |
| Journal volume | 50 |
| Journal issue | 15 |
| Pages of publication | 1918 - 1920 |
| a | 13.686 ± 0.003 Å |
| b | 23.219 ± 0.005 Å |
| c | 23.157 ± 0.005 Å |
| α | 90° |
| β | 96.26 ± 0.03° |
| γ | 90° |
| Cell volume | 7315 ± 3 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1415 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244393 (current) | 2019-11-28 | cif/ Adding structures of 7125611, 7125612 via cif-deposit CGI script. |
7125612.cif |
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Users of the data should acknowledge the original authors of the
structural data.