Bismuth(III) compound / Isoperthiocyanic acid sah / Thiocyanic acid sah / Crystal structureAbstract. Single crystals of (C 2 H 2 N 2 S 3 ) 2 Bi(SCN)3 have been prepared from solution and its structure has been determined. (C 2 H 2 N 2 S 3 ) 2 -Bi(SCN) 3 is monoclinic, space grouip C2/c, a = 6.730(4), b = 13.285(4), c = 20.679(4) Α, β = 96.92(5)°, Ζ = 4. Four sites of the strongly distorted tetragonal antiprism forming the coordination polyhedron of the Bi atom are occupied by S and Ν atoms of two isoperthiocyanic acid molecules (isoperthiocyanic acid: 5-amino-3-thione-l,2,4-dithiazole). The C 2 N 2 S 3 disubstituted Ave membered ring units of the isoperthiocyanic acid molecules are planar.The other four sites of the coordination polyhedron are occupied by S and Ν atoms of thiocyanate ions. Two of them form bonds via S to the Bi atom. A third thiocyanate group acts as a bidentate ligand, connecting neighbouring Bi atoms. These ambidently bridging thiocyanate ions are disordered, thus leading to infinite chains made up of equal numbers of -Bi-S-C-N-Bi'-and -Bi-N-C-S-Bi'-units, running nearly parallel to the crystallographic α-axis. The Bi -S distances range form 2.814(3) to 2.919(2) Â, the Bi-N distances are 2.695(6) Â for the binding Ν atom of the isoperthiocyanic acid molecule and 2.66(2) Â for the Ν atom of the disordered bridging thiocyanate ion, respectively. A possible location of the Bi(III) lone pair is briefly discussed.

No abstract