Information card for entry 4083438

Structure parameters

• Formula: C37 H31 Cl F12 N2 O3 Ti
• Calculated formula: C37 H31 Cl F12 N2 O3 Ti
• SMILES: [Ti]12(Cl)(OC(C(F)(F)F)(CC(=[N]2c2ccccc2)c2ccccc2)C(F)(F)F)(OC(C(F)(F)F)(CC(=[N]1c1ccccc1)c1ccccc1)C(F)(F)F)OC(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: 9.1162 ± 0.0009 Å
• b: 12.2176 ± 0.0012 Å
• c: 33.617 ± 0.003 Å
• α: 90°
• β: 92.78 ± 0.003°
• γ: 90°
• Cell volume: 3739.8 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No