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Acta Cryst. (2012). E68, m1228
[ doi:10.1107/S1600536812036379 ]

Dilithium 1,2,5-thiadiazolidine-3,4-dione 1,1-dioxide dihydrate

D. W. McOwen, S. A. Delp, P. D. Boyle and W. A. Henderson

Abstract: The title compound, poly[[mu]-aqua-aqua-[mu]6-(1,1-dioxo-1[lambda]6,2,5-thiadiazolidine-3,4-diolato)-dilithium], [Li2(C2N2O4S)(H2O)2]n or (H2O)2:Li2TDD, forms an infinite three-dimensional structure containing five-coordinate (Li/5) and six-coordinate (Li/6) Li+ cations. Li/5 is coordinated by three water molecules, one carbonyl O atom and one sulfuryl O atom while Li/6 is coordinated by one water molecule, three carbonyl O atoms, and two sulfuryl O atoms. Each water molecule bridges two Li+ cations, while also hydrogen bonding to either one endocyclic N atom and one sulfuryl O atom or two endocyclic N atoms. While the endocyclic N atoms in the anion do not coordinate the Li+ cations, the carbonyl and sulfuryl groups each coordinate three Li+ cations, which gives rise to the infinite three-dimensional structure.


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