KHgC3(NS)3 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to two equivalent N(2), two equivalent N(3), three equivalent N(1), and one S(1) atom. Hg(1) is bonded in a rectangular see-saw-like geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one N(2) and one S(3) atom. In the second C site, C(2) is bonded in a distorted linear geometry to one N(3) and one S(1) atom. In the third C site, C(3) is bonded in a distorted linear geometry to one N(1) and one S(2) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one C(3) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(2) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent Hg(1), and one C(2) atom. In the second S site, S(2) is bonded in an L-shaped geometry to one Hg(1) and one C(3) atom. In the third S site, S(3) is bonded in a water-like geometry to one Hg(1) and one C(1) atom.
KHgC3(NS)3 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 7-coordinate geometry to two equivalent N(2), two equivalent N(3), three equivalent N(1), and one S(1) atom. There is one shorter (2.93 Å) and one longer (3.01 Å) K(1)-N(2) bond length. There is one shorter (2.97 Å) and one longer (2.98 Å) K(1)-N(3) bond length. There are a spread of K(1)-N(1) bond distances ranging from 3.00-3.07 Å. The K(1)-S(1) bond length is 3.62 Å. Hg(1) is bonded in a rectangular see-saw-like geometry to one S(2), one S(3), and two equivalent S(1) atoms. The Hg(1)-S(2) bond length is 2.53 Å. The Hg(1)-S(3) bond length is 2.49 Å. There is one shorter (2.79 Å) and one longer (2.83 Å) Hg(1)-S(1) bond length. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one N(2) and one S(3) atom. The C(1)-N(2) bond length is 1.18 Å. The C(1)-S(3) bond length is 1.66 Å. In the second C site, C(2) is bonded in a distorted linear geometry to one N(3) and one S(1) atom. The C(2)-N(3) bond length is 1.18 Å. The C(2)-S(1) bond length is 1.66 Å. In the third C site, C(3) is bonded in a distorted linear geometry to one N(1) and one S(2) atom. The C(3)-N(1) bond length is 1.18 Å. The C(3)-S(2) bond length is 1.66 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one C(3) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. In the third N site, N(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(2) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent Hg(1), and one C(2) atom. In the second S site, S(2) is bonded in an L-shaped geometry to one Hg(1) and one C(3) atom. In the third S site, S(3) is bonded in a water-like geometry to one Hg(1) and one C(1) atom.