Primitive cubic packing of anions in Cs4[Re6Te8(CN)6]•2H2O and Ba2[Re6Te8(CN)6]•12H2O crystals

Crystal structures of Cs-4[Re6Te8(CN)(6)]. 2H(2)O (1) and Ba-2[Re6Te8(CN)(6)]. 12H(2)O (2) are determined Crystals 1 are orthorhombic, a = 14,282(1), b = 12.910(1), c = 18.040(1) Angstrom, V-cell = 3326.3(8) Angstrom(3), space group Pbcn, Z = 4, d(calc) = 5.715 g/cm(3), R(F) = 0.0482 for 3193 F-hkl > 4 sigma(F). Crystals 2 are triclinic, a = 9.671(3), b = 9.697(4), c = 11.039(4) Angstrom, alpha = 89.86(3), beta = 72.34(3), gamma = 82.46(3)degrees, V-cell = 977.2(6) Angstrom(3), space group <P(1)over bar>, Z = 1, d(calc) = 4.733 g/cm(3), R(F) = 0.0490 for 3226 F-hkl > 4 sigma(F). In both structures, the [Re6Te8(CN)(6)](4-) anions form a distorted primitive cubic packing with distances between the centers 9.02-9.63 Angstrom in 1 and 9.70-11.04 Angstrom in 2. The Cs+ cations in 1 lie near the face centers of the cubes formed by the anions. In 2, cation pairs (Ba2+)(2) bonded to two solvate water molecules are formed; the pairs lie at the centers of the anion cubes. In structures 1 and 3 there are shortened contacts between the tellurium atoms belonging to the neighboring anions (3.75-4.09 and 3.95-4.22 Angstrom respectively).