Information card for entry 7031067

Structure parameters

• Formula: C22 H14 F10 O8 S2 Ti
• Calculated formula: C22 H14 F10 O8 S2 Ti
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ti]16782345([cH]2[cH]1[cH]6[cH]7[cH]82)([OH2])[OH2].c1(c(c(c(F)c(c1F)F)F)F)S(=O)(=O)[O-].Fc1c(S(=O)(=O)[O-])c(F)c(c(F)c1F)F
• Title of publication: Strong Lewis acid air-stable cationic titanocene perfluoroalkyl(aryl)sulfonate complexes as highly efficient and recyclable catalysts for C-C bond forming reactions.
• Authors of publication: Li, Ningbo; Wang, Jinying; Zhang, Xiaohong; Qiu, Renhua; Wang, Xie; Chen, Jinyang; Yin, Shuang-Feng; Xu, Xinhua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 30
• Pages of publication: 11696 - 11708
• a: 14.3586 ± 0.0013 Å
• b: 15.8694 ± 0.0016 Å
• c: 12.0211 ± 0.0011 Å
• α: 90°
• β: 108.75 ± 0.002°
• γ: 90°
• Cell volume: 2593.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No