Information card for entry 7021040

Structure parameters

• Formula: C23 H30 Cl3 N O2 Ti
• Calculated formula: C23 H30 Cl3 N O2 Ti
• 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: 20.373 ± 0.003 Å
• b: 16.421 ± 0.0015 Å
• c: 13.958 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4669.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.70845 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No