Abstract
The title complex has been prepared and characterized by X-ray techniques. The yellow crystals are monoclinic, space group P21/c, with lattice constants a= 6·987(2), b= 13·806(7), c= 17·012(5)A, β= 105·69(3)°, and Z= 4 for 1/2[Pb(ClO4)2]C11H8N4O2,2H2O. The structure was solved by the heavy-atom method and refined by least-squares to R 8·9%, for 878 counter-measured reflections. The lead ions are disordered in two sites 0·75 A above and below a plane of four oxygens, two of which are the centrosymmetrically related carbonyl oxygens O(2) of the ligand, [Pb–O 2·46(2) and 2·63(2)A], the other two being water oxygens [Pb–O 2·38(2) and 2·69(2)A]. The next nearest atoms to Pb are N(1) of the same flavin at 2·99(2)A, and another water molecule at 3·12(2)A. This is the first structure with a metal in the secondary chelate site of the flavin molecule but none in the primary site. Co-ordination of Pb2+ to oxygen rather than nitrogen is consistent with its intermediate character on the Pearson hard–soft scale.
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