Information card for entry 7021036

Structure parameters

• Formula: C32 H34 Cl4 N2 O2 Ti
• Calculated formula: C32 H34 Cl4 N2 O2 Ti
• SMILES: C(C)(C)(c1ccccc1)/[NH+]=C/c1c(cccc1)O[Ti](Cl)(Cl)(Oc1c(cccc1)/C=[NH+]/C(C)(C)c1ccccc1)(Cl)Cl
• Title of publication: Ethylene polymerisation and oligomerisation with arene-substituted phenoxy-imine complexes of titanium: investigation of multi-mechanism catalytic behaviour.
• Authors of publication: Suttil, James A.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 12
• Pages of publication: 4185 - 4196
• a: 22.5011 ± 0.0013 Å
• b: 22.5011 ± 0.0013 Å
• c: 18.1552 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7960.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No