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Information card for entry 4135119
Preview
| Coordinates | 4135119.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H33 Co N5 O6 |
|---|---|
| Calculated formula | C27 H33 Co N5 O6 |
| SMILES | [Co]12(ON(=O)=O)(ON(=O)=O)[n]3c(cccc3C(N2c2c(cccc2C)C)(C)C)C(N1c1c(cccc1C)C)(C)C |
| Title of publication | Crystal Structure and C-H Bond Cleaving Reactivity of a Mononuclear Co<sup>IV</sup>-dinitrate Complex. |
| Authors of publication | Kwon, Yubin M.; Lee, Yuri; Evenson, Garrett E.; Jackson, Timothy A.; Wang, Dong |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 7.9985 ± 0.0005 Å |
| b | 19.2252 ± 0.0011 Å |
| c | 17.3541 ± 0.0009 Å |
| α | 90° |
| β | 99.346 ± 0.002° |
| γ | 90° |
| Cell volume | 2633.2 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0654 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0798 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254439 (current) | 2020-07-22 | cif/ Adding structures of 4135119 via cif-deposit CGI script. |
4135119.cif |
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Users of the data should acknowledge the original authors of the
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