Information card for entry 4072590

Structure parameters

• Chemical name: Ti(N-2-C6H4CF3)Cl2(py)3
• Formula: C22 H19 Cl2 F3 N4 Ti
• Calculated formula: C22 H19 Cl2 F3 N4 Ti
• Title of publication: Cyclopentadienyl Titanium Imido Compounds and Their Ethylene Polymerization Capability: Control of Molecular Weight Distributions by Imido N-Substituents
• Authors of publication: Owen, Christopher T.; Bolton, Paul D.; Cowley, Andrew R.; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 83
• a: 12.4719 ± 0.0004 Å
• b: 19.5247 ± 0.0008 Å
• c: 9.6046 ± 0.0003 Å
• α: 90°
• β: 93.795 ± 0.002°
• γ: 90°
• Cell volume: 2333.69 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.0324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1341
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No