Fig. 5: X-ray crystal structure of 3·[I2Br]5[I4Br].

a Asymmetric unit containing one cation 3, one [I4Br]− and four [I2Br]− as counteranions. b Stabilization of [I4Br]− by C − H···I hydrogen bonds, I − I···Br halogen bond and anion···π interactions. c Side view of one dimensional chain connected by [I2Br]− anions through multiple C − H···Br and C − H···I hydrogen bonds with one [I2Br]− inside the cavity. Short contacts are shown by cyan dashed lines. Color code: C, grey; H, white; N, blue; Br, brown; I, purple.