HgC5H8(NI)2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four HgC5H8(NI)2 clusters. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to one C(1), one C(6), and one I(1) atom. The Hg(1)-C(1) bond length is 2.09 Å. The Hg(1)-C(6) bond length is 2.10 Å. The Hg(1)-I(1) bond length is 3.22 Å. In the second Hg site, Hg(2) is bonded in a tetrahedral geometry to one I(1), one I(2), one I(3), and one I(4) atom. The Hg(2)-I(1) bond length is 2.83 Å. The Hg(2)-I(2) bond length is 2.92 Å. The Hg(2)-I(3) bond length is 2.81 Å. The Hg(2)-I(4) bond length is 2.84 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one Hg(1), one N(1), and one N(2) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(2) bond length is 1.35 Å. In the second C site, C(2) is bonded in a tetrahedral geometry to one N(1), one H(1), one H(2), and one H(3) atom. The C(2)-N(1) bond length is 1.46 Å. The C(2)-H(1) bond length is 1.10 Å. The C(2)-H(2) bond length is 1.09 Å. The C(2)-H(3) bond length is 1.10 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(1), and one H(4) atom. The C(3)-C(4) bond length is 1.37 Å. The C(3)-N(1) bond length is 1.38 Å. The C(3)-H(4) bond length is 1.08 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(2), and one H(5) atom. The C(4)-N(2) bond length is 1.38 Å. The C(4)-H(5) bond length is 1.08 Å. In the fifth C site, C(5) is bonded in a tetrahedral geometry to one N(2), one H(6), one H(7), and one H(8) atom. The C(5)-N(2) bond length is 1.46 Å. The C(5)-H(6) bond length is 1.10 Å. The C(5)-H(7) bond length is 1.09 Å. The C(5)-H(8) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one Hg(1), one N(3), and one N(4) atom. The C(6)-N(3) bond length is 1.36 Å. The C(6)-N(4) bond length is 1.35 Å. In the seventh C site, C(7) is bonded in a tetrahedral geometry to one N(3), one H(10), one H(11), and one H(9) atom. The C(7)-N(3) bond length is 1.46 Å. The C(7)-H(10) bond length is 1.09 Å. The C(7)-H(11) bond length is 1.10 Å. The C(7)-H(9) bond length is 1.10 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(3), and one H(12) atom. The C(8)-C(9) bond length is 1.37 Å. The C(8)-N(3) bond length is 1.38 Å. The C(8)-H(12) bond length is 1.08 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(4), and one H(13) atom. The C(9)-N(4) bond length is 1.38 Å. The C(9)-H(13) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a tetrahedral geometry to one N(4), one H(14), one H(15), and one H(16) atom. The C(10)-N(4) bond length is 1.46 Å. The C(10)-H(14) bond length is 1.10 Å. The C(10)-H(15) bond length is 1.10 Å. The C(10)-H(16) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(3) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(1), one C(4), and one C(5) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(6), one C(7), and one C(8) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(10), one C(6), and one C(9) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) 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(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(4) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(5) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(5) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(7) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(7) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(7) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(8) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(9) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(10) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(10) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(10) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a bent 120 degrees geometry to one Hg(1) and one Hg(2) atom. In the second I site, I(2) is bonded in a distorted single-bond geometry to one Hg(2) atom. In the third I site, I(3) is bonded in a single-bond geometry to one Hg(2) atom. In the fourth I site, I(4) is bonded in a single-bond geometry to one Hg(2) atom. Linkers: 2 CN1[C]N(C)C=C1. Metal clusters: . The MOF has largest included sphere 2.16 A, density 3.54 g/cm3, surface area 2323.87 m2/g, accessible volume 0.06 cm3/g