Information card for entry 4083441

Structure parameters

• Formula: C34 H25 Cl3 F12 N2 O2 Ti
• Calculated formula: C34 H25 Cl3 F12 N2 O2 Ti
• SMILES: [Ti]1(Cl)(Cl)(Cl)([N](c2ccccc2)=C(c2ccccc2)CC(O1)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)CC(=[NH+]\c1ccccc1)/c1ccccc1
• 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: 11.4485 ± 0.0001 Å
• b: 14.9684 ± 0.0001 Å
• c: 24.8484 ± 0.0002 Å
• α: 90°
• β: 98.77 ± 0.001°
• γ: 90°
• Cell volume: 4208.38 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No