Information card for entry 1507236

Structure parameters

• Formula: C13 H14 Cl3 F5 N2 Ti
• Calculated formula: C13 H14 Cl3 F5 N2 Ti
• Title of publication: Titanium Monoamidinate−MAO Catalysts: Some Information about Active Species and Stereochemical Polymerization Mechanisms
• Authors of publication: Liguori, Dario; Centore, Roberto; Tuzi, Angela; Grisi, Fabia; Sessa, Irene; Zambelli, Adolfo
• Journal of publication: Macromolecules
• Year of publication: 2003
• Journal volume: 36
• Journal issue: 15
• Pages of publication: 5451
• a: 8.901 ± 0.004 Å
• b: 13.7 ± 0.02 Å
• c: 15.42 ± 0.05 Å
• α: 90°
• β: 98.94 ± 0.1°
• γ: 90°
• Cell volume: 1858 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.0612
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No