Information card for entry 7007797

Structure parameters

• Formula: C43 H57 Cl2 N5 O2 Ti
• Calculated formula: C43 H57 Cl2 N5 O2 Ti
• SMILES: [Ti]123(Cl)(Cl)Oc4c(cc(cc4C=[N]2c2ccccc2C[N]3=Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.N#CC.N#CC.N#CC
• Title of publication: Group 4 catalysts for ethene polymerization containing tetradentate salicylaldiminato ligands.
• Authors of publication: Clarkson, Guy J.; Gibson, Vernon C.; Goh, Peter K. Y.; Hammond, Max L.; Knight, Paul D.; Scott, Peter; Smit, Theo M.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 46
• Pages of publication: 5484 - 5491
• a: 12.515 ± 0.002 Å
• b: 14.189 ± 0.002 Å
• c: 14.437 ± 0.002 Å
• α: 88.054 ± 0.01°
• β: 84.511 ± 0.011°
• γ: 64.388 ± 0.01°
• Cell volume: 2301.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.1775
• Weighted residual factors for significantly intense reflections: 0.1489
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.105
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No