Information card for entry 7031066

Structure parameters

• Formula: C22 H20 F18 O10 S2 Ti
• Calculated formula: C22 H20 F18 O10 S2 Ti
• 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: 16.1896 ± 0.0017 Å
• b: 12.8505 ± 0.0013 Å
• c: 19.6306 ± 0.0015 Å
• α: 90°
• β: 119.945 ± 0.006°
• γ: 90°
• Cell volume: 3538.8 ± 0.6 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 all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No