Information card for entry 7025598

Structure parameters

• Formula: C34 H20 Cl2 F12 N2 O2 Ti
• Calculated formula: C34 H20 Cl2 F12 N2 O2 Ti
• SMILES: c1cc([N]2=C(C=C(O[Ti]32(Cl)([N](c2ccccc2)=C(C=C(O3)c2cc(ccc2)C(F)(F)F)C(F)(F)F)Cl)c2cc(ccc2)C(F)(F)F)C(F)(F)F)ccc1
• 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: 11.8417 ± 0.0009 Å
• b: 8.2093 ± 0.0006 Å
• c: 17.3695 ± 0.0012 Å
• α: 90°
• β: 93.117 ± 0.001°
• γ: 90°
• Cell volume: 1686 ± 0.2 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No