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Updated: Jun 1, 2026

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
catena-Poly[[triaqua-chlorido-μ(3)-malonato-cerium(III)] hemihydrate]
Patrícia Silva1, José A Fernandes, Filipe A Almeida Paz
1Department of Chemistry, University of Aveiro, CICECO, 3810-193 Aveiro, Portugal.
Abstract:
The asymmetric unit of the title compound, {[Ce(C(3)H(2)O(4))Cl(H(2)O)(3)]·0.5H(2)O}(n), contains a Ce(3+) atom coordinated by a chloride anion, three water mol-ecules and a malonate ligand, and one water mol-ecule of crystallization with a factor of occupancy of 50%. The malonate ligand is bonded to three different symmetry-related metal atoms yielding a one-dimensional coordination polymer running parallel to the a axis. A supra-molecular network composed of strong and highly directional O-H⋯O and O-H⋯Cl hydrogen bonds ensures a close and effective packing of adjacent polymeric chains.
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