Information card for entry 7008040

Structure parameters

• Chemical name: [2,6?bis[1?(2,6?diisopropylphenylimino)ethyl]pyridine]dichloro (aluminumoxotrichoride)titanium(IV)
• Formula: C33 H43 Al Cl5 N3 O Ti
• Calculated formula: C33 H43 Al Cl5 N3 O Ti
• SMILES: [Ti]12(Cl)(Cl)([n]3c(C(=[N]1c1c(C(C)C)cccc1C(C)C)C)cccc3C(=[N]2c1c(C(C)C)cccc1C(C)C)C)O[Al](Cl)(Cl)Cl
• Title of publication: Bis(arylimino)pyridine derivatives of Group 4 metals: preparation, characterization and activity in ethylene polymerization.
• Authors of publication: Calderazzo, Fausto; Englert, Ulli; Pampaloni, Guido; Santi, Roberto; Sommazzi, Anna; Zinna, Marianna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 5
• Pages of publication: 914 - 922
• a: 12.683 ± 0.004 Å
• b: 16.764 ± 0.005 Å
• c: 17.317 ± 0.005 Å
• α: 90°
• β: 96.791 ± 0.012°
• γ: 90°
• Cell volume: 3656.1 ± 1.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0985
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No