Information card for entry 7008039

Structure parameters

• Common name: (2,6?bis(1?(2,6?diisopropylphenylimino)ethyl)pyridine)trichlot otitanium(iii)
• Chemical name: [2,6?bis[1?(2,6?diisopropylphenylimino)ethyl]pyridine]trichlototitanium(III)
• Formula: C87 H110 Cl6 N6 Ti2
• Calculated formula: C87 H110 Cl6 N6 Ti2
• SMILES: [Ti]12(Cl)(Cl)(Cl)[n]3c(C(=[N]1c1c(C(C)C)cccc1C(C)C)C)cccc3C(=[N]2c1c(C(C)C)cccc1C(C)C)C.c1(ccccc1)C.c1(ccccc1)C
• 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: 20.761 ± 0.005 Å
• b: 16.266 ± 0.004 Å
• c: 31.141 ± 0.006 Å
• α: 90°
• β: 128.189 ± 0.01°
• γ: 90°
• Cell volume: 8266 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.1146
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No