Conformation-Driven Self-Assembly: From a 1D Metal–Organic Polymer to an Infinite Double Nanotube

A novel conformation-driven self-assembly system from a one-dimensional polymer to a metal–organic double nanotube has been developed. DFT calculations indicate that the double nanotube with a syn-conformation of ligands is a thermodynamically favored stable product than a one-dimensional polymer. To the best of our knowledge, this is the first example of the infinite metal–organic double nanotube. In addition, a discrete M6L8-type cage has also been in situ self-assembled from rationally selected building blocks.