Information card for entry 7016034

Structure parameters

• Formula: C25 H24 Cl2 N2 O Ti
• Calculated formula: C25 H24 Cl2 N2 O Ti
• SMILES: [Ti]123456(Cl)(Cl)([n]7c8c(ccc7C(=[N]2c2c(C)cccc2C)CC)cccc8O1)[cH]1[cH]6[cH]4[cH]5[cH]31
• Title of publication: 2-(1-(Arylimino)propyl)quinolin-8-olate half-titanocene dichlorides: Synthesis, characterization and ethylene (co-)polymerization behaviour.
• Authors of publication: Huang, Wei; Sun, Wen-Hua; Redshaw, Carl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 25
• Pages of publication: 6802 - 6809
• a: 23.856 ± 0.005 Å
• b: 13.807 ± 0.003 Å
• c: 16.621 ± 0.003 Å
• α: 90°
• β: 117.68 ± 0.03°
• γ: 90°
• Cell volume: 4848 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2151
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No