Information card for entry 7008698

Structure parameters

• Formula: C24 H17 Cl5 F5 N O2 Ti2
• Calculated formula: C24 H17 Cl5 F5 N O2 Ti2
• SMILES: [Ti]12345(Cl)(OC6=CC=CC=CC6=[N]1c1c(F)c(F)c(F)c(F)c1F)(O[Ti]1678(Cl)(Cl)[cH]9[cH]1[cH]6[cH]7[cH]89)[cH]1[cH]2[cH]3[cH]4[cH]51.ClCCl
• Title of publication: New anilinotropone-based titanium complexes: synthesis, characterization and application as catalysts for olefin polymerization.
• Authors of publication: Mazzeo, Mina; Lamberti, Marina; Tuzi, Angela; Centore, Roberto; Pellecchia, Claudio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 18
• Pages of publication: 3025 - 3031
• a: 10.99 ± 0.002 Å
• b: 11.647 ± 0.002 Å
• c: 13.425 ± 0.005 Å
• α: 94.23 ± 0.02°
• β: 113.8 ± 0.02°
• γ: 113.96 ± 0.02°
• Cell volume: 1377.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No