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Information card for entry 7223427
Preview
| Coordinates | 7223427.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H29 Cl6 N5 Ti2 |
|---|---|
| Calculated formula | C23 H29 Cl6 N5 Ti2 |
| SMILES | [Ti]12345(Cl)(Cl)([N](c6ccccc6)=C(N(C)C)N1C(=N[Ti]1678(Cl)(Cl)[cH]9[cH]1[cH]6[cH]7[cH]89)N(C)C)[cH]1[cH]3[cH]5[cH]2[cH]41.ClCCl |
| Title of publication | Organoamido zirconium(IV) and titanium(IV) complexes and their catalysis towards ethylene polymerization |
| Authors of publication | Zhou, Meisu; Yang, Qiaokun; Tong, Hongbo |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 11.095 ± 0.005 Å |
| b | 19.886 ± 0.009 Å |
| c | 13.656 ± 0.006 Å |
| α | 90° |
| β | 98.13 ± 0.03° |
| γ | 90° |
| Cell volume | 2983 ± 2 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0858 |
| Residual factor for significantly intense reflections | 0.0736 |
| Weighted residual factors for significantly intense reflections | 0.1495 |
| Weighted residual factors for all reflections included in the refinement | 0.1553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.208 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170915 (current) | 2015-12-09 | cif/ Adding structures of 7223427, 7223428, 7223429 via cif-deposit CGI script. |
7223427.cif |
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Users of the data should acknowledge the original authors of the
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