Information card for entry 4086356

Structure parameters

• Common name: Titanium
• Formula: C19 H37 B Cl2 N2 Ti
• Calculated formula: C19 H22 B Cl2 N2 Ti
• Title of publication: 1,2-Azaborolyl-Ligated Titanium(IV) Half-Metallocenes: Synthesis, Characterization, and Catalytic Activity in Ethylene Polymerization
• Authors of publication: Chen, Yang; Fang, Xiangdong; Dan, Wenyan
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 1
• Pages of publication: 15
• a: 16.4907 ± 0.0012 Å
• b: 9.3901 ± 0.0007 Å
• c: 16.8718 ± 0.0013 Å
• α: 90°
• β: 118.327 ± 0.002°
• γ: 90°
• Cell volume: 2299.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.528
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No