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In the title compound, [Cd(C 16 H 16 O 3 ) 2 (C 12 H 8 N 2 )]·4H 2 O, the Cd ion lies on a twofold rotation axis and is chelated by two monodeprotonated residues of the l-tyrosine-derived ligand ( S )-2-[(2-hy-droxy-benz-yl)amino]-3-(4-hy-droxy-phen-yl)propanoic acid ( L ) in a κ 2  N , O amino acid chelating mode, exhibiting an ( N , N ')- trans disposition, and by 1,10-phenanthroline in a κ 2  N , N ' mode. The latter ligand is also located about the twofold rotation axis that bisects the central six-members ring. The phenolic groups remain protonated and non-coordinating and take part as acceptors in the intra-molecular hydrogen bonds with the amino groups of the acido ligands. The Cd ion is six-coordinated in a distorted octa-hedral environment. In the crystal, O-H⋯O hydrogen bonds result in the formation of three-dimensional network structures. The title complex has also been characterized by IR and 1 H NMR spectroscopy and DFT studies. The crystal studied was refined as an inversion twin.

acta crystallographica. section e, crystallographic communications

Structural characterization and DFT study of bis{(S)-2-[(2-hydroxybenzyl)amino]-3-(4-hydroxyphenyl)propanoato-κ2 N,O}(1,10-phenanthroline-κ2 N,N′)cadmium(II) tetrahydrate