Information card for entry 7031289

Structure parameters

• Formula: C32 H53 Cl N2 O5 Ti
• Calculated formula: C32 H53 Cl N2 O5 Ti
• SMILES: [Ti]12([N](Cc3c(OC)cccc3)(CC[N]1(C)C)Cc1c(O2)c(Cl)cc(c1)C(C)(C)C)(OC(C)C)(OC(C)C)OC(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: 12.595 ± 0.004 Å
• b: 13.269 ± 0.004 Å
• c: 21.982 ± 0.007 Å
• α: 90°
• β: 104.538 ± 0.004°
• γ: 90°
• Cell volume: 3556.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1138
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No