Specific nonbonding interactions in the structure of (N2H5)(2)[Mo3S7I6]center dot 1.5H(2)O

The crystal structure of (N2N5)(2)[Mo3S7I6].1.5H(2)O is investigated; tricl inic crystals, a = 10.029(2), b = 10.258(3), c = 14.152(2) Angstrom, alpha = 109.21(2), beta = 106.14(1), gamma = 98.97(2)degrees V-cell = 1270.6(5) A ngstrom(3), space group P (1) over bar, Z = 5 d(calc) = 3.572 g/cm(3), CAD- 4 diffractometer, lambda MoKalpha, 2 theta(max) = 50 degrees, N-tot = 4118, R(F) = 0.0554, wR(F-2) = 0.1365 for 3057 F-hkl > 4 sigma(F). The cluster a nions are united into centrosymmetric dimers with distances 3S(ax)...I 3.32 4(5)-3.473(4) Angstrom. The dimers, in turn, form a three-dimensional frame work with cations and solvate water molecules in the cavities due to additi onal contacts S-eq...I and S-ax...I 3.624(4)-3.785(4) Angstrom. The hydroge n bonds formed in rite structure are N(N2H5)...O(H2O) and N(N2H5)...I 2.78( 4)-296(8), 3.64(3)-3.75(3) Angstrom. The nonbonding interactions completely determine the crystal structure.