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Information card for entry 7112064
Preview
| Coordinates | 7112064.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MP0235 |
|---|---|
| Formula | C44 H37 Cl N4 O Ti |
| Calculated formula | C44 H37 Cl N4 O Ti |
| SMILES | c12ccc3C(=c4ccc5=C(c6ccc7=C(c8ccc1n8[Ti](Cl)(n23)(n45)[n]67)c1c(cc(cc1C)C)C)c1ccc(cc1)OC)c1c(cc(cc1C)C)C |
| 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 | 31.206 ± 0.003 Å |
| b | 7.8852 ± 0.0007 Å |
| c | 17.2435 ± 0.0015 Å |
| α | 90° |
| β | 117.308 ± 0.003° |
| γ | 90° |
| Cell volume | 3770.2 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0346 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.501 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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