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Information card for entry 4065031
Preview
| Coordinates | 4065031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H22 Cl2 F6 N2 O2 Ti |
|---|---|
| Calculated formula | C24 H22 Cl2 F6 N2 O2 Ti |
| SMILES | CC1=CC(=[O][Ti]2([O]=C(C(F)(F)F)C=C(N2c2ccc(cc2)C)C)(N1c1ccc(cc1)C)(Cl)Cl)C(F)(F)F |
| Title of publication | Efficient Synthesis of Hydroxylated Polyethylene via Copolymerization of Ethylene with 5-Norbornene-2-methanol using Bis(β-enaminoketonato)titanium Catalysts |
| Authors of publication | Hong, Miao; Wang, Yong-Xia; Mu, Hong-Liang; Li, Yue-Sheng |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 17 |
| Pages of publication | 4678 |
| a | 7.8598 ± 0.0011 Å |
| b | 28.614 ± 0.004 Å |
| c | 11.7294 ± 0.0015 Å |
| α | 90° |
| β | 92.807 ± 0.002° |
| γ | 90° |
| Cell volume | 2634.8 ± 0.6 Å3 |
| Cell temperature | 185 ± 2 K |
| Ambient diffraction temperature | 185 ± 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 | 0.1315 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178503 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/50. |
4065031.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065031.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065031.cif |
| 33138 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065031, 4065032, 4065033 via cif-deposit CGI script. |
4065031.cif |
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