Information card for entry 1507238

Structure parameters

• Formula: C17 H27 Cl3 N2 O Ti
• Calculated formula: C17 H27 Cl3 N2 O Ti
• SMILES: C1(c2ccccc2)=[N](C(C)C)[Ti](N1C(C)C)([O]1CCCC1)(Cl)(Cl)Cl
• 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: 9.809 ± 0.005 Å
• b: 14.264 ± 0.003 Å
• c: 15.625 ± 0.007 Å
• α: 90°
• β: 101.43 ± 0.07°
• γ: 90°
• Cell volume: 2142.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0864
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No