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Crystal structure of a La(III) complex with macrocyclic cavitand cucurbit[6]uril
Authors:A A Tripol’skaya  O A Geras’ko  D Yu Naumov  V P Fedin
Institution:(1) A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk
Abstract:Slow evaporation in air of a lanthanum nitrate solution containing macrocyclic cavitand cucurbit6]uril yields a complex of the composition of La(H2O)6(X@C36H36N24O12)(NO3)](NO3)2· 6.96H2O (X = 0.5C5H5N + 0.5H2O). The complex is structurally characterized using single crystal X-ray diffraction. Lanthanum atoms are coordinated with oxygen atoms of carbonyl groups of cucurbit6]uril portals. The compound crystallizes in the orthorhombic crystal system, space group Pnn2, unit cell parameters (150 K): a = 11.997(2) Å, b = 17.093(3) Å, c = 14.133(3) Å, V = 2899.3(10) Å3, Z = 2. Lanthanum atoms are disordered, alternative positions being related by the two-fold axis. The complex has an island structure. A pyridine molecule occupies an internal cavity of one half of cucurbit6]uril molecules, while a water molecule occupies the other.
Keywords:lanthanum  cucurbit[6]uril  aqua complex  disorder  crystal structure  single crystal X-ray diffraction
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