Abstract
The asymmetric unit of the title compound, [Nd2(C6H5COO)5Cl(C4H8O2)]·2.5C4H8O2, consists of two NdIII ions bridged by one Cl− ion, five benzoate ions and one coordinating 1,4-dioxane molecule. One NdIII ion is nine-coordinate, with a very distorted monocapped square-antiprismatic geometry. It is coordinated by two chelating carboxylate groups, three monodentate carboxylate groups, one chloride ion and one dioxane molecule. A second independent NdIII ion is eight-coordinated in a distorted square-antiprismatic geometry by one chelating carboxylate group, five monodentate carboxylate 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 molecules 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].
Highlights
251 Nieuwland Science Hall, Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556-5670, USA
NdIII ions bridged by one Cl ion, five benzoate ions and one coordinating 1,4-dioxane molecule
One NdIII ion is ninecoordinate, with a very distorted monocapped square-antiprismatic geometry. It is coordinated by two chelating carboxylate groups, three monodentate carboxylate groups, one chloride ion and one dioxane molecule
Summary
251 Nieuwland Science Hall, Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN 46556-5670, USA. Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.015 Å; some non-H atoms missing; disorder in main residue; R factor = 0.052; wR factor = 0.119; data-to-parameter ratio = 19.0
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