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Updated: May 22, 2026

Synthesis of a Water-soluble Metal–Organic Complex Array
Published on: October 8, 2016
catena-Poly[[penta-μ-benzoato-μ-chlorido-dioxanedineodymium(III)] dioxane 2.5-solvate]
Jeffrey A Bertke1, Allen G Oliver, Kenneth W Henderson
1251 Nieuwland Science Hall, Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556-5670, USA.
Abstract:
The asymmetric unit of the title compound, [Nd(2)(C(6)H(5)COO)(5)Cl(C(4)H(8)O(2))]·2.5C(4)H(8)O(2), consists of two Nd(III) ions bridged by one Cl(-) ion, five benzoate ions and one coordinating 1,4-dioxane mol-ecule. One Nd(III) ion is nine-coordinate, with a very distorted monocapped square-anti-prismatic geometry. It is coordinated by two chelating carboxyl-ate groups, three monodentate carboxyl-ate groups, one chloride ion and one dioxane mol-ecule. A second independent Nd(III) ion is eight-coordinated in a distorted square-anti-prismatic geometry by one chelating carboxyl-ate group, five monodentate carboxyl-ate groups and one chloride ion. The chains of the extended structure are parallel to the crystallographic b axis. There is a small amount of void space which is filled with five disordered dioxane solvent mol-ecules per unit cell. The intensity contribution of the disordered solvent molecules was removed by applying the SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148-155].
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