Information card for entry 7239643

Structure parameters

• Formula: C25 H33 Cl2 F N2 O2 Ti
• Calculated formula: C25 H33 Cl2 F N2 O2 Ti
• Title of publication: The influences of electronic effect and isomerization of salalen titanium(iv) complexes on ethylene polymerization in the presence of methylaluminoxane
• Authors of publication: Li, Sihan; Zhu, Yuqiong; Liang, Huaqing; Xie, Xiuli; Zhan, Yipeng; Liang, Guodong; Zhu, Fangming
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 71
• Pages of publication: 41824
• a: 20.5893 ± 0.0009 Å
• b: 9.7299 ± 0.0004 Å
• c: 12.9904 ± 0.0006 Å
• α: 90°
• β: 96.974 ± 0.004°
• γ: 90°
• Cell volume: 2583.1 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0488
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No