Information card for entry 7007450

Structure parameters

• Formula: C40 H36 Cl4 F4 N2 O5 S2 Ti2
• Calculated formula: C40 H36 Cl4 F4 N2 O5 S2 Ti2
• SMILES: [Ti]1234(Cl)(Cl)(O[Ti]5678(Cl)(Cl)[c]9([c]5([c]6([cH]7[cH]89)C)c5cc(F)cc(F)c5NS(=O)(=O)c5ccc(cc5)C)C)[c]5([c]1([c]2([cH]3[cH]45)C)c1cc(F)cc(F)c1NS(=O)(=O)c1ccc(cc1)C)C
• Title of publication: o-Phenylene-bridged Cp/sulfonamido titanium complexes for ethylene/1-octene copolymerization.
• Authors of publication: Joe, Dae June; Wu, Chun Ji; Bok, Taekki; Lee, Eun Jung; Lee, Choong Hoon; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 33
• Pages of publication: 4056 - 4062
• a: 8.927 ± 0.005 Å
• b: 13.917 ± 0.008 Å
• c: 18.663 ± 0.01 Å
• α: 101.172 ± 0.012°
• β: 97.017 ± 0.013°
• γ: 102.053 ± 0.013°
• Cell volume: 2192 ± 2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3708
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.3499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No