Information card for entry 7021370

Structure parameters

• Formula: C16.5 H25 Cl4 N O2 Ti
• Calculated formula: C16.5 H25 Cl4 N O2 Ti
• Title of publication: Synthesis of Ti(iv) complexes of donor-functionalised phenoxy-imine tridentates and their evaluation in ethylene oligomerisation and polymerisation.
• Authors of publication: Suttil, James A.; Shaw, Miranda F.; 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: 25
• Pages of publication: 9129 - 9138
• a: 8.197 ± 0.0018 Å
• b: 16.344 ± 0.003 Å
• c: 16.526 ± 0.002 Å
• α: 90.003 ± 0.002°
• β: 103.428 ± 0.005°
• γ: 103.65 ± 0.007°
• Cell volume: 2089.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.2214
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71085 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No