Information card for entry 7031286

Structure parameters

• Formula: C48 H65 Cl3 N2 O2 Ti
• Calculated formula: C48 H65 Cl3 N2 O2 Ti
• Title of publication: High temperature ethylene polymerization catalyzed by titanium(iv) complexes with tetradentate aminophenolate ligands in cis-O, N, N chelating mode.
• Authors of publication: Zhao, Ruiguo; Liu, Taotao; Wang, Liying; Ma, Haiyan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 33
• Pages of publication: 12663 - 12677
• a: 17.9918 ± 0.0016 Å
• b: 12.0283 ± 0.0011 Å
• c: 22.162 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4796.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.197
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No