Information card for entry 7021372

Structure parameters

• Formula: C24 H34 Cl4 N2 O4 Ti
• Calculated formula: C24 H34 Cl4 N2 O4 Ti
• SMILES: Cl[Ti](Cl)(Oc1c(cccc1)/C=[NH+]/C(C)(C)COC)(Oc1c(cccc1)/C=[NH+]/C(C)(C)COC)(Cl)Cl
• 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: 8.359 ± 0.0009 Å
• b: 9.533 ± 0.0005 Å
• c: 10.163 ± 0.0005 Å
• α: 86.07 ± 0.005°
• β: 67.242 ± 0.006°
• γ: 67.192 ± 0.006°
• Cell volume: 685.24 ± 0.1 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: 0.029
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.70839 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No