Information card for entry 7025597

Structure parameters

• Formula: C32 H18 Cl6 F6 N2 O2 Ti
• Calculated formula: C32 H18 Cl6 F6 N2 O2 Ti
• SMILES: C1(=CC(=[N]([Ti]2(O1)(Cl)([N](c1ccccc1)=C(C=C(O2)c1c(cccc1Cl)Cl)C(F)(F)F)Cl)c1ccccc1)C(F)(F)F)c1c(cccc1Cl)Cl
• 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: 10.9398 ± 0.0006 Å
• b: 13.734 ± 0.0008 Å
• c: 22.5112 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3382.2 ± 0.3 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No