Information card for entry 7021039

Structure parameters

• Formula: C25 H34 Cl3 N O2 Ti
• Calculated formula: C25 H34 Cl3 N O2 Ti
• SMILES: [Ti]1(Cl)(Cl)(Cl)(Oc2c(cccc2C(C)(C)C)C=[N]1C(C)(C)Cc1ccccc1)[O]1CCCC1
• 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: 25.105 ± 0.003 Å
• b: 10.628 ± 0.0012 Å
• c: 9.748 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2600.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No