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  • Title: Solution structure of the palladium(II) complex of 1,4,7,10-tetrathiacyclododec-2-ene-2,3-dicarbonitrile.
    Author: Holzberger A, Kleinpeter E.
    Journal: Magn Reson Chem; 2004 Jul; 42(7):589-93. PubMed ID: 15181628.
    Abstract:
    The solution structure of the Pd(II) complex of mn-12-S4 was studied in detail by NMR spectroscopy. The stoichiometry of the complex was determined by 1H NMR titration experiments. 3J(H,H) coupling constants were extracted from the 2D J-resolved NMR spectrum of the complex providing information concerning the S-C-C-S torsional angles. Further conclusions about the conformation of [Pd(mn-12-S4)](BF4)2 were drawn from experimental NOEs. The results of the NMR study were corroborated by molecular modelling.
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