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  • The gadolinium(III) chelate of 1-oxa-4,7,10-triazacyclododecane-4,7,10-triacetic acid. Formation of polymeric chains in the solid state and relaxivity properties


The crystal structure of the gadolinium(III) chelate of the macrocyclic ligand odotra (1-oxa-4,7,10-triazacyclododecane-4,7,10-triacetate) was determined by X-ray single-crystal analysis: [Gd(odotra)(H(2)O)(5)] crystallizes in the orthorhombic space group Pbca, with a = 12.84(8), b=21.53(4), c=15.30(7) angstroms and Z = 8. The metal ion is at the centre of a square antiprism capped with one water molecule. The chelate units are linked by bridging carboxylic groups and form linear polymeric chains. The macrocycle adopts its preferred square [3333] conformation. Nuclear magnetic resonance dispersion studies indicate that [Gd(odotra)] and its analogue [Gd(dotra)] (dotra = 1,4,7,10-tetraazacyclododecane-4, 7,10-triacetate) exhibit the same relaxivity behaviour but are not as effective magnetic resonance imaging contrast agents as expected presumably because of their low symmetry.

Additional information

Authors: SPIRET M R ET AL, University of Liège, Laboratories of Experimental Physics (BE);REBIZANT J, JRC Karlsruhe (DE);WANG X ET AL, University of Liège, Coordination and Radiochemistry (BE);MATON F ET AL, University of Mons-Hainaut, Department of Organic Chemistry, Mons (BE)
Bibliographic Reference: Article: Journal of the Chemical Society, Dalton Transactions (1997), pp. 497-500
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