Information card for entry 4081810

Structure parameters

• Formula: C41 H54 Cl2 N2 O Ti
• Calculated formula: C41 H54 Cl2 N2 O Ti
• Title of publication: Efficient Synthesis of Titanium Complexes Bearing Tridentate [N‒,N,O‒] Anilido-Imine Ligands and Their Catalytic Properties for Ethylene Polymerization
• Authors of publication: Zhang, Lei; Luo, Xuyang; Gao, Wei; Zhang, Jingshun; Mu, Ying
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6277
• a: 12.7757 ± 0.0009 Å
• b: 13.0183 ± 0.0009 Å
• c: 13.8898 ± 0.001 Å
• α: 63.547 ± 0.001°
• β: 68.489 ± 0.001°
• γ: 75.209 ± 0.001°
• Cell volume: 1912.4 ± 0.2 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No