Information card for entry 4108442

Structure parameters

• Formula: C22 H14 Cl2 F10 N2 O2 Ti
• Calculated formula: C22 H14 Cl2 F10 N2 O2 Ti
• SMILES: [Ti]12(Cl)(Cl)(OC(=CC(=[N]1c1c(F)cccc1F)C)C(F)(F)F)[N](c1c(F)cccc1F)=C(C=C(O2)C(F)(F)F)C
• Title of publication: Extremely Narrow-Dispersed High Molecular Weight Polyethylene from Living Polymerization at Elevated Temperatures with o-F Substituted Ti Enolatoimines
• Authors of publication: Sze-Man Yu; Stefan Mecking
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 13204 - 13205
• a: 10.626 Å
• b: 15.631 Å
• c: 15.214 Å
• α: 90°
• β: 98.05°
• γ: 90°
• Cell volume: 2502.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No