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Information card for entry 7120819
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| Coordinates | 7120819.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4_Cu |
|---|---|
| Formula | C59 H106 N2 Si4 Ti2 |
| Calculated formula | C59 H106 N2 Si4 Ti2 |
| Title of publication | C-H and H-H Activation at a Di-titanium Centre |
| Authors of publication | Tsoureas, Nikolaos; Green, Jennifer; Cloke, Frederick Geoffrey |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 20.8365 ± 0.0008 Å |
| b | 13.6281 ± 0.0008 Å |
| c | 22.1659 ± 0.0012 Å |
| α | 90° |
| β | 101.286 ± 0.004° |
| γ | 90° |
| Cell volume | 6172.6 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.088 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1442 |
| Weighted residual factors for all reflections included in the refinement | 0.1644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202334 (current) | 2017-10-26 | cif/ Adding structures of 7120817, 7120818, 7120819 via cif-deposit CGI script. |
7120819.cif |
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Users of the data should acknowledge the original authors of the
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