Information card for entry 4332241

Structure parameters

• Formula: C25 H36 Cl2 F5 N3 O Ti
• Calculated formula: C25 H36 Cl2 F5 N3 O Ti
• SMILES: [Ti]1(Cl)(Cl)(Oc2c(cc(cc2CN1c1c(F)c(F)c(F)c(F)c1F)C(C)(C)C)C(C)(C)C)([NH](C)C)[NH](C)C
• Title of publication: Highly Active Titanium-Based Olefin Polymerization Catalysts Supported by Bidentate Phenoxyamide Ligands
• Authors of publication: Oakes, Daniel C. H.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3476 - 3477
• a: 10.7096 ± 0.0011 Å
• b: 16.0538 ± 0.0017 Å
• c: 17.4258 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2996 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No