Information card for entry 4115392

Structure parameters

• Formula: C61 H50 Cl2 N2 O4 Ti
• Calculated formula: C60.96 H43.3 Cl1.303 N2 O4 Ti
• Title of publication: To Probe the Origin of Activation Effect of Carboxylic Acid and (+)-NLE in Tridentated Titanium Catalyst Systems
• Authors of publication: Yu Yuan; Xin Li; Jie Sun; Kuiling Ding
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 14866 - 14867
• a: 13.1301 ± 0.0004 Å
• b: 13.1301 ± 0.0004 Å
• c: 50.308 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7511.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.1488
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No