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Information card for entry 4070595
Preview
| Coordinates | 4070595.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H28 Cl2 F12 N2 O2 Ti |
|---|---|
| Calculated formula | C30 H28 Cl2 F12 N2 O2 Ti |
| SMILES | c1(c(cccc1)C(F)(F)F)[N]1[Ti]2(Cl)([N](c3c(cccc3)C(F)(F)F)=C(C(F)(F)F)C=C(O2)C(C)(C)C)(OC(=CC=1C(F)(F)F)C(C)(C)C)Cl |
| Title of publication | Synthesis and Characterization of Titanium Complexes Bearing Two β-Enaminoketonato Ligands with Electron-Withdrawing Groups and Their Behavior in Ethylene Polymerization |
| Authors of publication | Ye, Wei-Ping; Zhan, Jie; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3642 |
| a | 9.6966 ± 0.0009 Å |
| b | 8.6009 ± 0.0008 Å |
| c | 20.8763 ± 0.0019 Å |
| α | 90° |
| β | 102.983 ± 0.001° |
| γ | 90° |
| Cell volume | 1696.6 ± 0.3 Å3 |
| Cell temperature | 187 ± 2 K |
| Ambient diffraction temperature | 187 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0606 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.1102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178594 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/05. |
4070595.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070595.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070595.cif |
| 42579 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070590, 4070591, 4070592, 4070593, 4070594, 4070595 via cif-deposit CGI script. |
4070595.cif |
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Users of the data should acknowledge the original authors of the
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