, Volume 53, Issue 1, pp 80-85

Syntheses and crystal structures of supramolecular compounds of tetranuclear ZrIV and HfIV aqua hydroxo complexes with macrocyclic cavitand cucurbituril

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Slow evaporation of hydrochloric acid solutions of zirconium(iv) or hafnium(iv) oxochlorides and cucurbituril in air afforded compounds with composition [M4(OH)8(H2O)16]Cl8·(C36H36N24O12)·16H2O, where M = Zr (1) or Hf (2). According to the X-ray diffraction data, complexes 1 and 2 are isostructural. Their crystal structures can be described as packings of polymer chains consisting of alternating cucurbituril molecules and tetranuclear cations [M4(OH)8(H2O)16]8+ linked to each other via an extensive network of hydrogen bonds. Compound 2 is the first structurally characterized tetranuclear hafnium aqua complex.