Information card for entry 7014859

Structure parameters

• Formula: C33 H22 Cl4 F8 N2 O2 Ti
• Calculated formula: C33 H22 Cl4 F8 N2 O2 Ti
• SMILES: [Ti]12(Cl)(Cl)([N](=Cc3c(c(ccc3)C(C)(C)C)O1)c1c(c(c(c(c1F)F)F)F)F)[N](c1ccccc1)=C(C(F)(F)F)C=C(c1c(ccc(c1)Cl)Cl)O2
• Title of publication: Novel heteroligated titanium complexes with fluorinated salicylaldiminato and β-enaminoketonato ligands: synthesis, characterization and catalytic behavior in vinyl addition polymerization of norbornene.
• Authors of publication: Long, Ying-Yun; Ye, Wei-Ping; Tao, Ping; Li, Yue-Sheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 1610 - 1618
• a: 13.5344 ± 0.0005 Å
• b: 12.2293 ± 0.0004 Å
• c: 20.854 ± 0.0008 Å
• α: 90°
• β: 99.946 ± 0.001°
• γ: 90°
• Cell volume: 3399.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No