Information card for entry 4070594

Structure parameters

• Formula: C29.5 H29.5 Cl2 F10 N2 O2 Ti
• Calculated formula: C29.5 H29.5 Cl2 F10 N2 O2 Ti
• Title of publication: Synthesis and Characterization of Titanium Complexes Bearing Two β-Enaminoketonato Ligands with Electron-Withdrawing Groups and Their Behavior in Ethylene Polymerization
• Authors of publication: Ye, Wei-Ping; Zhan, Jie; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3642
• a: 13.905 ± 0.0008 Å
• b: 16.987 ± 0.001 Å
• c: 15.1935 ± 0.0009 Å
• α: 90°
• β: 99.915 ± 0.001°
• γ: 90°
• Cell volume: 3535.2 ± 0.4 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No