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This work provides a strategy for specific recognition toward C3H4 over C3H6 through the C-H···F hydrogen bond associated with the fluorinated organic ligand.Recently, a number of variations to the hybrid perovskite structure have been suggested in order to improve on the properties of methylammonium lead iodide, the archetypical hybrid halide perovskite material. In particular, with respect to the chemical stability of the material, steps should be taken. We performed an in-depth analysis of the structure of MAPbI3 upon incorporation o