Information card for entry 7019410

Structure parameters

• Formula: C20 H19 Cl3 F3 N O S Ti
• Calculated formula: C20 H19 Cl3 F3 N O S Ti
• SMILES: [Ti]12([S](c3ccccc3)c3c([N]2=C(C=C(O1)C(C)(C)C)C(F)(F)F)cccc3)(Cl)(Cl)Cl
• 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: 18.5534 ± 0.0013 Å
• b: 24.1288 ± 0.0017 Å
• c: 10.7907 ± 0.0007 Å
• α: 90°
• β: 104.442 ± 0.001°
• γ: 90°
• Cell volume: 4678 ± 0.6 ų
• 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No