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Information card for entry 7025600
Preview
Coordinates | 7025600.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H20 Br2 Cl2 F6 N2 O2 Ti |
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Calculated formula | C32 H20 Br2 Cl2 F6 N2 O2 Ti |
SMILES | [Ti]12(Cl)(Cl)(OC(=CC(=[N]1c1ccccc1)C(F)(F)F)c1ccccc1Br)OC(=CC(=[N]2c1ccccc1)C(F)(F)F)c1c(cccc1)Br |
Title of publication | Synthesis and characterization of the titanium complexes bearing two β-enaminoketonato ligands with electron withdrawing groups/modified phenyls and their behaviors for ethylene (co-)polymerization. |
Authors of publication | Ye, Wei-Ping; Shi, Xin-Cui; Li, Bai-Xiang; Liu, Jing-Yu; Li, Yue-Sheng; Cheng, Yan-Xiang; Hu, Ning-Hai |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 38 |
Pages of publication | 9000 - 9007 |
a | 11.2111 ± 0.001 Å |
b | 15.5277 ± 0.0014 Å |
c | 19.3685 ± 0.0017 Å |
α | 90° |
β | 102.674 ± 0.002° |
γ | 90° |
Cell volume | 3289.6 ± 0.5 Å3 |
Cell temperature | 185 ± 2 K |
Ambient diffraction temperature | 185 ± 2 K |
Number of distinct elements | 8 |
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 | 0.129 |
Residual factor for significantly intense reflections | 0.0874 |
Weighted residual factors for significantly intense reflections | 0.2359 |
Weighted residual factors for all reflections included in the refinement | 0.2656 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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