Information card for entry 7700933

Structure parameters

• Formula: C60 H56 Cl2 O2 S Ti
• Calculated formula: C60 H56 Cl2 O2 S Ti
• Title of publication: Titanium and zirconium complexes bearing new tridentate [OSO] bisphenolato-based ligands: synthesis, characterization and catalytic properties for alkene polymerization.
• Authors of publication: Song, Tingting; He, Jianghao; Liang, Liwei; Liu, Ning; Li, Feng; Tong, Xiaobo; Mu, Xiaoyue; Mu, Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 36
• Pages of publication: 13719 - 13731
• a: 10.142 ± 0.003 Å
• b: 14.635 ± 0.005 Å
• c: 17.205 ± 0.005 Å
• α: 86.535 ± 0.006°
• β: 89.821 ± 0.006°
• γ: 77.971 ± 0.006°
• Cell volume: 2492.9 ± 1.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1919
• Weighted residual factors for all reflections included in the refinement: 0.2407
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No