Information card for entry 7031288

Structure parameters

• Formula: C66 H78 Br4 Cl4 N4 O5 Ti2
• Calculated formula: C66 H46 Br4 Cl4 N4 O5 Ti2
• SMILES: [Ti]12(Cl)(Cl)([N](Cc3c(O2)c(Br)cc(Br)c3)(CC[N]1(C)C)Cc1ccccc1OC)O[Ti]12(Cl)(Cl)[N](Cc3c(O2)c(Br)cc(Br)c3)(CC[N]1(C)C)Cc1ccccc1OC.c1cc(ccc1)C.c1ccccc1C.c1ccccc1C.c1ccccc1C
• 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: 12.5385 ± 0.0017 Å
• b: 16.754 ± 0.002 Å
• c: 18.355 ± 0.002 Å
• α: 99.214 ± 0.003°
• β: 93.923 ± 0.003°
• γ: 103.434 ± 0.003°
• Cell volume: 3679.5 ± 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: 0.1737
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.2592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No