Information card for entry 7019066

Structure parameters

• Formula: C24 H18 Cl2 O4 Ti
• Calculated formula: C24 H18 Cl2 O4 Ti
• SMILES: [Ti]12(Cl)(Cl)(Oc3c([O]1c1ccccc1)cccc3)Oc1c([O]2c2ccccc2)cccc1
• 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: 14.144 ± 0.003 Å
• b: 16.386 ± 0.0017 Å
• c: 19.049 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4414.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0345
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.77488 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No