3D molecular network and magnetic ordering, formed by multi-dentate magnetic couplers, bis(benzene)chromium(i) and [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazolidyl†
The reaction between bis(benzene)chromium(0), Cr0(C6H6)2, and [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazole (abbreviated as TDTD) formed single crystals of the 1 : 1 salt, [CrI(C6H6)2]+[TDTD]−. The crystal structure of [Cr(C6H6)2][TDTD] belongs to the monoclinic P21/c space group, and involves a CdSO4-type network (or quartz dual net), which is formed by CH⋯N hydrogen bonds between [Cr(C6H6)2]+ (S = 1/2) and [TDTD]− (S = 1/2). In addition to this network, the two components form an alternating chain crystal with a π–π overlap along the  and  directions. The theoretical calculations for the pairwise intermolecular magnetic exchange interactions in [Cr(C6H6)2][TDTD] reveal the presence of 3D interactions, ranging from an antiferromagnetic interaction of −8.96 cm−1 to a ferromagnetic one of 1.70 cm−1. The temperature dependence of the paramagnetic susceptibility χp indicates the dominance of an antiferromagnetic interaction with a negative Weiss constant of −4.8 K and a magnetic ordering at 8 K, which can be characterized in terms of weak ferromagnetism.