Information card for entry 7002712

Structure parameters

• Formula: C32 H34 Cl2 F6 N2 O2 Ti
• Calculated formula: C32 H34 Cl2 F6 N2 O2 Ti
• SMILES: c1(ccccc1)[N]1=C(C(F)(F)F)C=C(O[Ti]21(Cl)([N](c1ccccc1)=C(C(F)(F)F)C=C(O2)C1CCCCC1)Cl)C1CCCCC1
• Title of publication: Synthesis and characterization of the titanium complexes bearing two regioisomeric trifluoromethyl-containing enaminoketonato ligands and their behavior in ethylene polymerization
• Authors of publication: Ye, Wei-Ping; Mu, Hong-Liang; Shi, Xin-Cui; Cheng, Yan-Xiang; Li, Yue-Sheng
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9452 - 9465
• a: 6.2203 ± 0.0005 Å
• b: 16.5443 ± 0.0012 Å
• c: 15.5413 ± 0.0011 Å
• α: 90°
• β: 94.585 ± 0.001°
• γ: 90°
• Cell volume: 1594.2 ± 0.2 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 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: 0.0825
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No