CRYSTAL STRUCTURE AND MAGNETIC PROPERTIES OF [NME(4)](4)[MN-2(C3S5)(4)](C3S52-=4,5-DIMERCAPTO-1,3-DITHIOLE-2-THIONATE)

摘要

The crystal structure of [NMe(4)](4)[Mn-2(C3S5)(4)] (C3S52- = 4,5-dimercapto-1,3-dithiole-2-thionate(2-)) has been determined by X-ray analysis. The complex crystallizes in the orthorhombic space group Pbca (No. 61) with a = 23.699(2), b = 22.107(2), c = 10.206(2) Angstrom, Y = 5294.6(13) Angstrom(3) and Z = 8 (for an asymmetric [NMe(4)](2)[Mn(C3S5)(2)] unit). The structure was refined to R (R(w)) = 6.2% (6.7%) using 3122 observed reflections with F-0 > 3 sigma(F-0). The [Mn-2(C3S5)(4)](4-) anion has a centrosymmetric binudear structure. Each Mn(II) atom is located in a slightly distorted trigonal-bipyramidal coordination environment bonded to four sulfur atoms of the two C3S5 ligands and to one sulfur atom of the other centrosymmetricaily related Mn(C3S5)(2) moiety. The intermolecular S...S contacts (3.545 Angstrom) build up a three-dimensional network of anions. The magnetic susceptibilities in the temperature range 4.2-100 K are well reproduced by the equation for the binucfear structure with J = -5.1 cm(-1) and g = 2.00. A weak antiferromagnetic interaction operates between the Mn(II) ions via bridging sulfur atoms. [References: 29]