Information card for entry 7019069

Structure parameters

• Formula: C24 H34 Cl2 O2 Ti
• Calculated formula: C24 H34 Cl2 O2 Ti
• SMILES: [Ti](Cl)(Cl)(Oc1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C(C)C)C(C)C
• Title of publication: Preparation and structures of aryloxy- and alkoxy-Ti(iv) complexes and their evaluation in ethylene oligomerisation and polymerisation.
• Authors of publication: Suttil, James A.; McGuinness, David S.; Pichler, Markus; Gardiner, Michael G.; Morgan, David H.; Evans, Stephen J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6625 - 6633
• a: 10.603 ± 0.002 Å
• b: 31.616 ± 0.002 Å
• c: 15.197 ± 0.0013 Å
• α: 90°
• β: 95.004 ± 0.011°
• γ: 90°
• Cell volume: 5075 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.775 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No