Information card for entry 7007796

Structure parameters

• Formula: C42 H51 Cl2 N3 O2 Ti
• Calculated formula: C42 H51 Cl2 N3 O2 Ti
• SMILES: [Ti]123(Cl)(Cl)Oc4c(cc(cc4C=[N]1c1cccc4cccc(c14)[N]2=Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.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: 11.989 ± 0.002 Å
• b: 13.04 ± 0.002 Å
• c: 13.724 ± 0.002 Å
• α: 97.867 ± 0.013°
• β: 99.001 ± 0.011°
• γ: 99.407 ± 0.012°
• Cell volume: 2061.4 ± 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: 0.0619
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.1308
• Weighted residual factors for significantly intense reflections: 0.1195
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No