抄録
The crystal structure of fac-[bis-(adeninato)(dien) copper (II)] monohydrate has been determined from three-dimensional X-ray diffractometer data by heavy atom Fourier methods. Crystals of fac-[Cu (Ade)2 (dien)]·H2O are monoclinic with unit cell dimensions a=16.015 (2), b=14.577 (2), c=7.959 (1) A, β=90.11 (1)°, space group P21/n, and Z=4. Block-diagonal least-squares refinement using 2695 independent reflexions yielded the R value of 0.068. The copper ion assumes a distorted square pyramidal coordination with five coordination sites of which four square planar sites are occupied by the nitrogen N (9) atoms of two unidentate adenine monoanions and the two (terminal and central) nitrogen atoms of tridentate dien, and the axial site (apical position) is occupied by another terminal nitrogen atom of dien. Therefore, the present dien-copper (II) complex takes a bent form (facial coordination). The propensity of adenine to occupy the cis position in equatorial plane of the copper (II) coordination is much stronger than that of dien to take a planar coordination form.
