Information card for entry 7019067

Structure parameters

• Formula: C20 H25 Cl3 O4 Ti
• Calculated formula: C20 H25 Cl3 O4 Ti
• SMILES: [Ti](Cl)(Cl)(Cl)(Oc1c(Oc2ccccc2)cccc1)([O]1CCCC1)[O]1CCCC1
• 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: 9.713 ± 0.005 Å
• b: 12.471 ± 0.005 Å
• c: 18.199 ± 0.006 Å
• α: 90°
• β: 95.988 ± 0.015°
• γ: 90°
• Cell volume: 2192.4 ± 1.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2353
• Weighted residual factors for all reflections included in the refinement: 0.2552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No