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Information card for entry 4135045
Preview
| Coordinates | 4135045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H34 N5 Ni |
|---|---|
| Calculated formula | C28 H34 N5 Ni |
| Title of publication | Generation and Oxidative Reactivity of a Ni(II) Superoxo Complex via Ligand-Based Redox Non-Innocence. |
| Authors of publication | McNeece, Andrew J.; Jesse, Kate; Xie, Jiaze; Filatov, Alexander S.; Anderson, John S. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 51.354 ± 0.006 Å |
| b | 5.7125 ± 0.0007 Å |
| c | 17.328 ± 0.002 Å |
| α | 90° |
| β | 93.198 ± 0.004° |
| γ | 90° |
| Cell volume | 5075.4 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0851 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.1602 |
| Weighted residual factors for all reflections included in the refinement | 0.1703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252547 (current) | 2020-06-03 | cif/ Adding structures of 4135045 via cif-deposit CGI script. |
4135045.cif |
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