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Information card for entry 4302872
Preview
| Coordinates | 4302872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H51 Cl2 N O2 S Ti |
|---|---|
| Calculated formula | C34 H51 Cl2 N O2 S Ti |
| SMILES | [Ti]123([S](c4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)[C@@H]1[C@@H]([NH]3c3c(O2)c(cc(c3)C(C)(C)C)C(C)(C)C)CCCC1)(Cl)Cl.[Ti]123([S](c4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)[C@H]1[C@H]([NH]3c3c(O2)c(cc(c3)C(C)(C)C)C(C)(C)C)CCCC1)(Cl)Cl |
| Title of publication | Synthesis, Structure, and Olefin Polymerization Activity of Titanium Complexes Bearing Asymmetric Tetradentate [OSNO]-Type Bis(phenolato) Ligands |
| Authors of publication | Geert-Jan M. Meppelder; Hong-Tao Fan; Thomas P. Spaniol; Jun Okuda |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 7378 - 7388 |
| a | 16.406 ± 0.002 Å |
| b | 14.6793 ± 0.0018 Å |
| c | 15.8086 ± 0.0019 Å |
| α | 90° |
| β | 107.39 ± 0.005° |
| γ | 90° |
| Cell volume | 3633.1 ± 0.8 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.1223 |
| Residual factor for significantly intense reflections | 0.0737 |
| Weighted residual factors for significantly intense reflections | 0.1604 |
| Weighted residual factors for all reflections included in the refinement | 0.1945 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179066 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/28. |
4302872.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4302872.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4302872.cif |
| 1125 | 2010-04-25 | cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition. |
4302872.cif |
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