Information card for entry 4083445

Structure parameters

• Formula: C18 H25 Cl2 F6 N O3 Ti
• Calculated formula: C18 H25 Cl2 F6 N O3 Ti
• SMILES: [Ti]1(Cl)(Cl)(OC(C)C)(OC(C(F)(F)F)(C(F)(F)F)CC(C)=[N]1c1ccccc1)[OH]C(C)C
• Title of publication: Group 4 Metal Complexes of Fluorous (Di)Alkoxide-(Di)Imino Ligands: Synthesis, Structure, Olefin Polymerization Catalysis, and Decomposition Pathways
• Authors of publication: Marquet, Nicolas; Kirillov, Evgueni; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 606
• a: 10.2267 ± 0.0009 Å
• b: 11.4449 ± 0.0011 Å
• c: 14.0137 ± 0.0012 Å
• α: 112.483 ± 0.004°
• β: 106.534 ± 0.004°
• γ: 116.075 ± 0.004°
• Cell volume: 1141 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No