Lead encapsulation by a golden clamp through multiple electrostatic, metallophilic, hydrogen bonding and weak interactions

The structure of the complex [{Pb(HBpz(3))}{Au-3(o-C6BrF4)(3)(HBpz(3))}] consists of a host-guest heterometallic system built up through a plethora of interactions including electrostatic, metallophilic, H-bonding, Au center dot center dot center dot Br or weak C center dot center dot center dot C or Pb center dot center dot center dot Br contacts. Computational studies show that the dispersive interactions are responsible for the attraction of the Pb(II) cationic moiety within the basket-like trinuclear Au(I) fragment, whereas the ionic component of the interaction placed at the rings produces a molecular clamp.