Information card for entry 7016035

Structure parameters

• Formula: C28 H29 Cl2 N2 O Ti
• Calculated formula: C28 H29 Cl2 N2 O Ti
• SMILES: [Ti]123456(Cl)(Cl)(Oc7cccc8c7[n]1c(cc8)C(=[N]2c1c(cc(cc1CC)C)CC)CC)[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: 16.977 ± 0.003 Å
• b: 8.1964 ± 0.0016 Å
• c: 18.518 ± 0.004 Å
• α: 90°
• β: 101.63 ± 0.03°
• γ: 90°
• Cell volume: 2523.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No