KHgC2N2I crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 4-coordinate geometry to four equivalent N(1) and two equivalent I(1) atoms. Hg(1) is bonded in a linear geometry to two equivalent C(1) and four equivalent I(1) atoms. C(1) is bonded in a linear geometry to one Hg(1) and one N(1) atom. N(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. I(1) is bonded in a 6-coordinate geometry to two equivalent K(1) and four equivalent Hg(1) atoms.
KHgC2N2I crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 4-coordinate geometry to four equivalent N(1) and two equivalent I(1) atoms. All K(1)-N(1) bond lengths are 3.02 Å. Both K(1)-I(1) bond lengths are 3.77 Å. Hg(1) is bonded in a linear geometry to two equivalent C(1) and four equivalent I(1) atoms. Both Hg(1)-C(1) bond lengths are 2.06 Å. All Hg(1)-I(1) bond lengths are 3.45 Å. C(1) is bonded in a linear geometry to one Hg(1) and one N(1) atom. The C(1)-N(1) bond length is 1.17 Å. N(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one C(1) atom. I(1) is bonded in a 6-coordinate geometry to two equivalent K(1) and four equivalent Hg(1) atoms.