Information card for entry 7002707

Structure parameters

• Formula: C26 H26 Cl2 F6 N2 O2 Ti
• Calculated formula: C26 H26 Cl2 F6 N2 O2 Ti
• SMILES: [Ti]12(Cl)(Cl)([N](c3ccccc3)=C(C(C)C)C=C(O1)C(F)(F)F)[N](c1ccccc1)=C(C=C(O2)C(F)(F)F)C(C)C
• 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: 16.3779 ± 0.0017 Å
• b: 16.966 ± 0.0017 Å
• c: 21.199 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5890.5 ± 1 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1455
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No