STRUCTURE OF BIS[CYANATOBIS(DI-2-PYRIDYLAMINE)COPPER(II)] SULFATE BIS(DI-2-PYRIDYLAMINE) MONOHYDRATE

[Cu(NCO)(C10H9N3)2](SO4)0.5.C10H9N3.-0.5H2O, M(r) = 676.20, monoclinic, I2/c [equivalent positions: +/- (x,y,z); +/- (-x,y,1/2-z)], Z = 8, a = 17.688 (3), b = 20.596 (4), c = 17.519 (2) angstrom, beta = 96.886 (2)degrees, V = 6336.17 angstrom 3, D(m)(flotation) = 1.42 (6), D(x) = 1.417 Mg m-3, lambda(Mo K-alpha) = 0.71069 angstrom, mu = 0.733 mm-1, T = 298 K, F(000) = 2792, 1893 unique observed reflections, R = 0.077. The CuN4N' chromophore involves a square pyramidal structure, distorted towards a trigonal bipyramidal stereochemistry, tau = 0.31. The NCO- anion is bonded to the copper(II) ion via the N atom. The two noncoordinated dpyam (dpyam = 2,2'-dipyridylamine) molecules are disordered about a centre and a two-fold axis of symmetry, respectively, and both are poorly defined. The [SO4]2- anion is also disordered about a centre of symmetry, SOF = 0.5, and the non-coordinated water molecule is also disordered, SOF = 0.5.