“…S1, ESI†). 29,50 For R -1 and S -1, the positively charged organic molecules occupy the position belonging to oxygen atoms in BaNiO 3 , and the negatively charged [CdCl 4 ] 2− and [Cd(Cl 0.5 ) 6 ] − parts replace the Ba and Ni sites, respectively. Therefore, both R -1 and S -1 can be thought of as hexagonal antiperovskite structures and are isomorphic to the previously reported ones, including the similar length of bonds (Cl–Cd) and the angles of adjacent Cl atoms (Cl–Cd–Cl) in inorganic components (Tables S4 and S5, ESI†).…”