HgC4H4(NI)2(C4NH3)2 is Indium-derived structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two C4NH3 clusters and two HgC4H4(NI)2 clusters. In each C4NH3 cluster, there are four inequivalent C sites. In the first C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one H(3) atom. The C(4)-C(3) bond length is 1.41 Å. The C(4)-H(3) bond length is 1.09 Å. In the second C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(2), and one H(5) atom. The C(6)-C(3) bond length is 1.46 Å. The C(6)-N(2) bond length is 1.29 Å. The C(6)-H(5) bond length is 1.10 Å. In the third C site, C(2) is bonded in a distorted single-bond geometry to one C(3) and one H(2) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-H(2) bond length is 1.09 Å. In the fourth C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. N(2) is bonded in a distorted water-like geometry to one C(6) and one N(2) atom. The N(2)-N(2) bond length is 1.39 Å. There are three inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In each HgC4H4(NI)2 cluster, Hg(1) is bonded in a distorted trigonal pyramidal geometry to two equivalent N(1) and two equivalent I(1) atoms. Both Hg(1)-N(1) bond lengths are 2.52 Å. Both Hg(1)-I(1) bond lengths are 2.69 Å. There are two inequivalent C sites. In the first C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(4) bond length is 1.09 Å. In the second C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.09 Å. N(1) is bonded in a distorted trigonal planar geometry to one Hg(1), one C(1), and one C(5) atom. There are two 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(4) is bonded in a single-bond geometry to one C(5) atom. I(1) is bonded in a single-bond geometry to one Hg(1) atom. Linkers: 1 [CH]([N][N][CH]c1ccncc1)c1ccncc1 ,2 [CH]/[C]=C\[N][N][CH]c1ccncc1. Metal clusters: . The MOF has largest included sphere 2.07 A, density 2.75 g/cm3, surface area 2846.16 m2/g, accessible volume 0.08 cm3/g