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Information card for entry 7708614
Preview
| Coordinates | 7708614.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H66 B Cu N4 O3 |
|---|---|
| Calculated formula | C46 H66 B Cu N4 O3 |
| Title of publication | A Stable Ring-Expanded NHC-Supported Copper Boryl and its Reactivity towards Heterocumulenes |
| Authors of publication | Horsley Downie, Thomas Mardale; Charman, Rex S. C.; Hall, Jonathan W.; Mahon, Mary F.; Lowe, John P.; Liptrot, David Jonathan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 16.4325 ± 0.0002 Å |
| b | 21.3202 ± 0.0004 Å |
| c | 25.9216 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9081.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0996 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| 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 |
|---|---|---|---|
| 270120 (current) | 2021-10-29 | cif/ Adding structures of 7708610, 7708611, 7708612, 7708613, 7708614, 7708615, 7708616 via cif-deposit CGI script. |
7708614.cif |
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Users of the data should acknowledge the original authors of the
structural data.