Information card for entry 7007953

Structure parameters

• Common name: Complex 4c
• Formula: C20 H24 Cl3 N O Ti
• Calculated formula: C20 H24 Cl3 N O Ti
• SMILES: [Ti]1(Cl)(Cl)(Cl)Oc2c(C=[N]1c1c(cc(cc1C)C)C)cccc2C(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: 9.6328 ± 0.0005 Å
• b: 14.9548 ± 0.0008 Å
• c: 14.9811 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2158.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.6984 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No