Information card for entry 4109242

Structure parameters

• Formula: C45 H45 O Ti
• Calculated formula: C45 H45 O Ti
• Title of publication: Structure-Activity Correlation in Titanium Single-Site Olefin Polymerization Catalysts Containing Mixed Cyclopentadienyl/Aryloxide Ligation
• Authors of publication: Thomas A. Manz; Khamphee Phomphrai; Grigori Medvedev; Balachandra B. Krishnamurthy; Shalini Sharma; Jesmin Haq; Krista A. Novstrup; Kendall T. Thomson; W. Nicholas Delgass; James M. Caruthers; Mahdi M. Abu-Omar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3776 - 3777
• a: 11.3726 ± 0.0017 Å
• b: 12.3542 ± 0.0015 Å
• c: 14.5292 ± 0.0018 Å
• α: 71.271 ± 0.006°
• β: 67.97 ± 0.008°
• γ: 75.177 ± 0.006°
• Cell volume: 1770.7 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No