Information card for entry 7014860

Structure parameters

• Formula: C34 H22 Cl2 F12 N2 O3 Ti
• Calculated formula: C34 H22 Cl2 F12 N2 O3 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(c(c(c(c1F)F)OC)F)F)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: 21.5519 ± 0.0008 Å
• b: 11.7525 ± 0.0005 Å
• c: 27.6927 ± 0.0011 Å
• α: 90°
• β: 96.162 ± 0.001°
• γ: 90°
• Cell volume: 6973.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1278
• 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