HgC2H8(NI)2 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two HgC2H8(NI)2 clusters. Hg(1) is bonded in a tetrahedral geometry to one N(1), one N(2), one I(1), and one I(2) atom. The Hg(1)-N(1) bond length is 2.41 Å. The Hg(1)-N(2) bond length is 2.37 Å. The Hg(1)-I(1) bond length is 2.73 Å. The Hg(1)-I(2) bond length is 2.83 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(1), and one H(2) atom. The C(1)-N(1) bond length is 1.47 Å. The C(1)-H(1) bond length is 1.10 Å. The C(1)-H(2) bond length is 1.10 Å. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one N(2), one H(3), and one H(4) atom. The C(2)-N(2) bond length is 1.47 Å. The C(2)-H(3) bond length is 1.10 Å. The C(2)-H(4) bond length is 1.10 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Hg(1), one C(1), one H(5), and one H(6) atom. The N(1)-H(5) bond length is 1.03 Å. The N(1)-H(6) bond length is 1.03 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one Hg(1), one C(2), one H(7), and one H(8) atom. The N(2)-H(7) bond length is 1.03 Å. The N(2)-H(8) bond length is 1.03 Å. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(1) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(2) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(2) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Hg(1) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Hg(1) atom. Linkers: 1 NCCN. Metal clusters: . The MOF has largest included sphere 1.98 A, density 4.11 g/cm3, surface area 2090.69 m2/g, accessible volume 0.06 cm3/g