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Information card for entry 7031067
Preview
Coordinates | 7031067.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H14 F10 O8 S2 Ti |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/7031067.html
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Users of the data should acknowledge the original authors of the
structural data.