Information card for entry 7008699

Structure parameters

• Formula: C38 H44 Cl2 N2 O2 Ti
• Calculated formula: C38 H44 Cl2 N2 O2 Ti
• SMILES: [Ti]12(Cl)(Cl)([O]=C3C=CC=CC=C3N1c1c(cccc1C(C)C)C(C)C)[O]=C1C=CC=CC=C1N2c1c(cccc1C(C)C)C(C)C
• Title of publication: New anilinotropone-based titanium complexes: synthesis, characterization and application as catalysts for olefin polymerization.
• Authors of publication: Mazzeo, Mina; Lamberti, Marina; Tuzi, Angela; Centore, Roberto; Pellecchia, Claudio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 18
• Pages of publication: 3025 - 3031
• a: 12.31 ± 0.01 Å
• b: 16.8 ± 0.05 Å
• c: 17.04 ± 0.01 Å
• α: 90°
• β: 90.39 ± 0.05°
• γ: 90°
• Cell volume: 3524 ± 11 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: 0.0901
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No