, Volume 54, Issue 7, pp 1557-1562

Synthesis and crystal structure of a supramolecular adduct of trinuclear molybdenum oxocluster with macrocyclic cavitand cucurbit[5]uril containing the included ionic associate Na+...Cl...Na+

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The compound of composition [{Mo3O4(H2O)6Cl3}2(Na2Cl⊂ C30H30N 20O10)]Cl3⋅14H2O (1) was prepared by evaporation of a hydrochloric acid solution containing NaCl, the trinuclear aqua complex [Mo3O4(H2O)9]4+, and the macrocyclic cavitand cucurbit[5]uril (C30H30N20O10). X-ray diffraction analysis demonstrated that the cucurbit[5]uril molecule is closed on both sides by the cluster cations through hydrogen bonding between the CO groups of the cucurbit[5]uril portals and the aqua ligands of the oxo cluster. The inner cavity of the supramolecular adduct includes an unusual ionic associate Na+...Cl...Na+. The sodium cations are coordinated by five carbonyl oxygen atoms of each portal of the macrocycle. Compound 1 is the first structurally characterized complex, in which the macrocyclic cucurbit[5]uril ligand is directly coordinated to the alkali metal cation.

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1513–1517, July, 2005.