Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088625
Preview
| Coordinates | 4088625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H9 Cl5 O Ti |
|---|---|
| Calculated formula | C15 H9 Cl5 O Ti |
| SMILES | [Ti]1234(Cl)(Cl)(Oc5c(Cl)cc(Cl)cc5Cl)[c]56cccc[c]46[cH]3[cH]2[cH]15 |
| Title of publication | Efficient Norbornene (NBE) Incorporation in Ethylene/NBE Copolymerization by Half-Titanocene Catalysts Containing Chlorinated Aryloxo Ligands |
| Authors of publication | Zhao, Weizhen; Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 1895 |
| a | 14.302 ± 0.009 Å |
| b | 7.178 ± 0.004 Å |
| c | 16.465 ± 0.01 Å |
| α | 90° |
| β | 106.473 ± 0.007° |
| γ | 90° |
| Cell volume | 1620.9 ± 1.7 Å3 |
| Cell temperature | 273 K |
| Ambient diffraction temperature | 273 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 significantly intense reflections | 0.0435 |
| Weighted residual factors for all reflections included in the refinement | 0.2423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.227 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237720 (current) | 2019-11-24 | cif/ Adding structures of 4088622, 4088623, 4088624, 4088625, 4088626, 4088627 via cif-deposit CGI script. |
4088625.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.