Crystal structure and Hirshfeld surface analysis of the zero-dimensional hybrid perovskite 1,4-diazoniabicyclo2.2.2octane hexabromidostannate(IV)

Zero-dimensional (0D) perovskites are promising materials due to their structures comprising isolated metal halide octahedra or clusters, which impart remarkable optoelectronic properties. The synthesis, crystal structure and Hirshfeld surface analysis of the title compound, 1,4-diazoniabicyclo2.2.2octane hexabromidostannate(IV) hemihydrate, (C6H14N2)SnBr6·0.5H2O or (DABCO)SnBr6·0.5H2O, are reported. The compound crystallizes in the monoclinic space group P21/n. Dominant H...Br/Br...H interactions (90.5%) are observed, with smaller contributions from H...H (5.1%), Br...Br (4.2%) and O...Br/Br...O (0.1%) contacts. These structural features underline the role of hydrogen bonding in stabilizing the 0D framework, highlighting its potential for light-emitting and photonic applications.