Information card for entry 7002709

Structure parameters

• Formula: C28 H30 Cl2 F6 N2 O2 Ti
• Calculated formula: C28 H30 Cl2 F6 N2 O2 Ti
• SMILES: [Ti]12(Cl)(Cl)([N](=C(C(C)(C)C)C=C(O1)C(F)(F)F)c1ccccc1)[N](c1ccccc1)=C(C(C)(C)C)C=C(O2)C(F)(F)F
• 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: 9.5394 ± 0.0004 Å
• b: 37.7491 ± 0.0015 Å
• c: 8.9319 ± 0.0004 Å
• α: 90°
• β: 113.44 ± 0.001°
• γ: 90°
• Cell volume: 2951 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No