Information card for entry 7019409

Structure parameters

• Formula: C17 H13 Cl3 F3 N O2 Ti
• Calculated formula: C17 H13 Cl3 F3 N O2 Ti
• SMILES: [Ti]12(Cl)(Cl)(Cl)OC(=CC(=[N]2c2c([O]1C)cccc2)C(F)(F)F)c1ccccc1
• Title of publication: Synthesis and characterization of novel titanium complexes bearing [ONX]-type β-enaminoketonato ligands and their application to ethylene (co)polymerization.
• Authors of publication: Tao, Ping; Tang, Xiao-Yan; Li, Bai-Xiang; Liu, Jing-Yu; Li, Yue-Sheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 7390 - 7398
• a: 13.921 ± 0.001 Å
• b: 8.7218 ± 0.0006 Å
• c: 16.0158 ± 0.0012 Å
• α: 90°
• β: 99.75 ± 0.001°
• γ: 90°
• Cell volume: 1916.5 ± 0.2 ų
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No