Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7035186
Preview
| Coordinates | 7035186.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H36 Cl2 F4 N2 O2 Ti |
|---|---|
| Calculated formula | C34 H36 Cl2 F4 N2 O2 Ti |
| SMILES | [Ti]12(Cl)(Cl)(OC3=C(C=[N]1c1cc(F)cc(F)c1)CCCC13CCCC1)OC1=C(C=[N]2c2cc(F)cc(F)c2)CCCC21CCCC2 |
| Title of publication | Titanium(iv) catalysts with ancillary imino-spiroketonato ligands: synthesis, structure and olefin polymerization. |
| Authors of publication | Ma, Yuguo; Lobkovsky, Emil B.; Coates, Geoffrey W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 27 |
| Pages of publication | 12265 - 12272 |
| a | 10.533 ± 0.0004 Å |
| b | 19.3123 ± 0.0008 Å |
| c | 16.1038 ± 0.0007 Å |
| α | 90° |
| β | 103.348 ± 0.0008° |
| γ | 90° |
| Cell volume | 3187.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0703 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7035186.cif |
| 143636 | 2015-07-11 | cif/ Updating files of 7035186, 7035187, 7035188, 7035189 Original log message: Adding full bibliography for 7035186--7035189.cif. |
7035186.cif |
| 136935 | 2015-05-19 | cif/ Adding structures of 7035186, 7035187, 7035188, 7035189 via cif-deposit CGI script. |
7035186.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.