Information card for entry 7031287

Structure parameters

• Formula: C29 H43 Cl3 N2 O2 Ti
• Calculated formula: C29 H43 Cl3 N2 O2 Ti
• SMILES: [Ti]12(Cl)(Cl)(Cl)[N](CC[N]1(Cc1c(c(C(C)(C)C)cc(c1)C)OC)Cc1c(c(cc(c1)C)C(C)(C)C)O2)(C)C
• 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: 31.567 ± 0.014 Å
• b: 12.607 ± 0.005 Å
• c: 24.65 ± 0.01 Å
• α: 90°
• β: 127.231 ± 0.008°
• γ: 90°
• Cell volume: 7811 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1486
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2359
• Weighted residual factors for all reflections included in the refinement: 0.2684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No