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Information card for entry 7112063
Preview
| Coordinates | 7112063.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | alw072 |
|---|---|
| Formula | C48 H48 N4 O Si Ti Zr0 |
| Calculated formula | C48 H48 N4 O Si Ti |
| SMILES | c12=C(c3c(cc(C)cc3C)C)c3ccc4c5ccc6C(c7c(cc(cc7C)C)C)=c7ccc8=C(c9ccc(cc9)OC)c(cc1)[n]2[Ti](C[Si](C)(C)C)(n34)(n78)n56 |
| Title of publication | Synthesis, structure and reactivity of group 4 corrole complexes |
| Authors of publication | Rosa Padilla; Heather L. Buckley; Ashleigh L. Ward; John Arnold |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 2922 |
| a | 25.746 ± 0.0012 Å |
| b | 14.2366 ± 0.0007 Å |
| c | 26.5033 ± 0.0013 Å |
| α | 90° |
| β | 106.672 ± 0.003° |
| γ | 90° |
| Cell volume | 9306 ± 0.8 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0679 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1362 |
| Weighted residual factors for all reflections included in the refinement | 0.1443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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