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Information card for entry 7112044
Preview
| Coordinates | 7112044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Complex 3 |
|---|---|
| Formula | C54 H92 O2 Si4 Ti2 |
| Calculated formula | C54 H92 O2 Si4 Ti2 |
| Title of publication | Reductive deoxygenation of CO2 by a bimetallic titanium bis(pentalene) complex |
| Authors of publication | Alexander F. R. Kilpatrick; F. Geoffrey N. Cloke |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 2769 |
| a | 12.894 ± 0.003 Å |
| b | 22.342 ± 0.005 Å |
| c | 19.113 ± 0.004 Å |
| α | 90° |
| β | 92.18 ± 0.03° |
| γ | 90° |
| Cell volume | 5502 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1018 |
| Residual factor for significantly intense reflections | 0.0766 |
| Weighted residual factors for significantly intense reflections | 0.2107 |
| Weighted residual factors for all reflections included in the refinement | 0.2279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.