Crystal structure of the Ca2+ supramolecular complex with cucurbituryl {[Ca(H2O)(3)(HSO4)(CH3OH)](2)(C36N24O12H36)}HSO4)(2)center dot 4H(2)O

The calcium(II) supramolecular complex with cucurbituryl of composition {[C a(H2O)(3)(HSO4)(CH3OH)](2)(C36N24O12H36)](HSO4)(2). 4H(2)O is obtained by s low diffusion of methanol into a calcium(II) solution in 2 M H2SO4; its cry stal structure is determined by X-ray diffraction analysis. The crystals ar e triclinic, a = 10.4030(9) Angstrom, b = 11.936(1) Angstrom, c = 15.119(1) Angstrom, alpha = 69.829(6)degrees, beta = 72.019(5)degrees, gamma = 70.17 1(7)degrees, V = 1618.1(2) Angstrom (3), space group P (1) over bar ,Z = 1, rho (calcd) = 1.754 g/cm(3). The crystal structure is a pseudohexagonal cy linders shifted by half translation along agonal packing of {[Ca(H2O)(3)(HS O4)(CH3OH)](2)(C36N24O12H36)}(infinity)(2+) cylinders shifted by half trans lation along the a axis. The cylinders are linked via hydrogen bonds, with the crystallization water molecules and HSO4- anions arranged in the channe ls.