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Information card for entry 7120818
Preview
| Coordinates | 7120818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4_Mo |
|---|---|
| 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 | 20.8577 ± 0.0016 Å |
| b | 13.6285 ± 0.0009 Å |
| c | 22.1312 ± 0.0018 Å |
| α | 90° |
| β | 101.284 ± 0.009° |
| γ | 90° |
| Cell volume | 6169.4 ± 0.8 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 | 0.2081 |
| Residual factor for significantly intense reflections | 0.0911 |
| Weighted residual factors for significantly intense reflections | 0.144 |
| Weighted residual factors for all reflections included in the refinement | 0.192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7120818.cif |
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Users of the data should acknowledge the original authors of the
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