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Information card for entry 7721057
Preview
| Coordinates | 7721057.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H56 Cl Cu N2 O |
|---|---|
| Calculated formula | C41 H56 Cl Cu N2 O |
| Title of publication | Persistent radical effect-mediated Cu-O bond homolysis: EPR spectroscopic evidence in NHC-copper phenolate systems. |
| Authors of publication | Huan, Zhen; Yang, Jin-Dong; Cheng, Jin-Pei |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2026 |
| a | 20.4253 ± 0.0005 Å |
| b | 9.4945 ± 0.0002 Å |
| c | 40.0921 ± 0.001 Å |
| α | 90° |
| β | 92.269 ± 0.002° |
| γ | 90° |
| Cell volume | 7768.9 ± 0.3 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1329 |
| Weighted residual factors for all reflections included in the refinement | 0.1376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.