Information card for entry 4333797

Structure parameters

• Formula: C39 H65 N O4 Ti
• Calculated formula: C39 H65 N O4 Ti
• Title of publication: Titanium Complexes of Tridentate Aminebiphenolate Ligands Containing Distinct N-Alkyls: Profound N-Substituent Effect on Ring-Opening Polymerization Catalysis
• Authors of publication: Lan-Chang Liang; Sheng-Ta Lin; Chia-Cheng Chien
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1780 - 1786
• a: 11.105 ± 0.0004 Å
• b: 29.1731 ± 0.0009 Å
• c: 12.5302 ± 0.0004 Å
• α: 90°
• β: 103.333 ± 0.002°
• γ: 90°
• Cell volume: 3950 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0653
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No