Information card for entry 7007959

Structure parameters

• Common name: Complex 7
• Formula: C15 H21 Cl3 O3 Ti
• Calculated formula: C15 H21 Cl3 O3 Ti
• SMILES: C1c2cccc(c2O[Ti]([O]=1)([O]1CCCC1)(Cl)(Cl)Cl)C(C)(C)C
• Title of publication: The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes.
• Authors of publication: Pennington, Dale A.; Clegg, William; Coles, Simon J.; Harrington, Ross W.; Hursthouse, Michael B.; Hughes, David L.; Light, Mark E.; Schormann, Mark; Bochmann, Manfred; Lancaster, Simon J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 3
• Pages of publication: 561 - 571
• a: 10.5359 ± 0.0004 Å
• b: 8.3775 ± 0.0004 Å
• c: 20.2839 ± 0.001 Å
• α: 90°
• β: 101.35 ± 0.003°
• γ: 90°
• Cell volume: 1755.34 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1749
• Residual factor for significantly intense reflections: 0.1491
• Weighted residual factors for significantly intense reflections: 0.3535
• Weighted residual factors for all reflections included in the refinement: 0.3641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No