HgC4H4(NI)2(HgC25H25S3(NI)2)2 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four HgC25H25S3(NI)2 clusters and four HgC4H4(NI)2 clusters. In each HgC25H25S3(NI)2 cluster, Hg(2) is bonded in a distorted trigonal pyramidal geometry to one N(2), one N(3), one I(1), and one I(3) atom. The Hg(2)-N(2) bond length is 2.46 Å. The Hg(2)-N(3) bond length is 2.47 Å. The Hg(2)-I(1) bond length is 2.71 Å. The Hg(2)-I(3) bond length is 2.69 Å. There are twenty-five inequivalent C sites. In the first C site, C(8) is bonded in a trigonal planar geometry to one C(20), one C(5), and one C(7) atom. The C(8)-C(20) bond length is 1.51 Å. The C(8)-C(5) bond length is 1.41 Å. The C(8)-C(7) bond length is 1.41 Å. In the second C site, C(9) is bonded in a distorted single-bond geometry to one C(1), one C(12), and one H(4) atom. The C(9)-C(1) bond length is 1.41 Å. The C(9)-C(12) bond length is 1.38 Å. The C(9)-H(4) bond length is 1.09 Å. In the third C site, C(10) is bonded in a trigonal planar geometry to one C(3), one C(4), and one C(5) atom. The C(10)-C(3) bond length is 1.41 Å. The C(10)-C(4) bond length is 1.50 Å. The C(10)-C(5) bond length is 1.41 Å. In the fourth C site, C(11) is bonded in a distorted single-bond geometry to one C(1), one C(15), and one H(5) atom. The C(11)-C(1) bond length is 1.41 Å. The C(11)-C(15) bond length is 1.39 Å. The C(11)-H(5) bond length is 1.09 Å. In the fifth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(9), one N(2), and one H(6) atom. The C(12)-N(2) bond length is 1.35 Å. The C(12)-H(6) bond length is 1.09 Å. In the sixth C site, C(13) is bonded in a distorted single-bond geometry to one C(22) and one H(7) atom. The C(13)-C(22) bond length is 1.41 Å. The C(13)-H(7) bond length is 1.09 Å. In the seventh C site, C(14) is bonded in a distorted single-bond geometry to one C(22) and one H(8) atom. The C(14)-C(22) bond length is 1.40 Å. The C(14)-H(8) bond length is 1.09 Å. In the eighth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(11), one N(2), and one H(9) atom. The C(15)-N(2) bond length is 1.34 Å. The C(15)-H(9) bond length is 1.09 Å. In the ninth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(26), one N(3), and one H(10) atom. The C(16)-C(26) bond length is 1.39 Å. The C(16)-N(3) bond length is 1.34 Å. The C(16)-H(10) bond length is 1.09 Å. In the tenth C site, C(18) is bonded in a distorted single-bond geometry to one C(19) and one H(12) atom. The C(18)-C(19) bond length is 1.41 Å. The C(18)-H(12) bond length is 1.09 Å. In the eleventh C site, C(19) is bonded in a trigonal planar geometry to one C(18), one C(26), and one S(3) atom. The C(19)-C(26) bond length is 1.40 Å. The C(19)-S(3) bond length is 1.74 Å. In the twelfth C site, C(20) is bonded in a distorted water-like geometry to one C(8), one H(13), one H(14), and one S(3) atom. The C(20)-H(13) bond length is 1.10 Å. The C(20)-H(14) bond length is 1.10 Å. The C(20)-S(3) bond length is 1.83 Å. In the thirteenth C site, C(21) is bonded in a distorted trigonal non-coplanar geometry to one C(7), one H(15), one H(16), and one H(17) atom. The C(21)-C(7) bond length is 1.51 Å. The C(21)-H(15) bond length is 1.10 Å. The C(21)-H(16) bond length is 1.10 Å. The C(21)-H(17) bond length is 1.10 Å. In the fourteenth C site, C(22) is bonded in a trigonal planar geometry to one C(13), one C(14), and one S(1) atom. The C(22)-S(1) bond length is 1.74 Å. In the fifteenth C site, C(23) is bonded in a distorted trigonal non-coplanar geometry to one C(5), one H(18), one H(19), and one H(20) atom. The C(23)-C(5) bond length is 1.51 Å. The C(23)-H(18) bond length is 1.09 Å. The C(23)-H(19) bond length is 1.10 Å. The C(23)-H(20) bond length is 1.10 Å. In the sixteenth C site, C(24) is bonded in a distorted trigonal non-coplanar geometry to one C(3), one H(21), one H(22), and one H(23) atom. The C(24)-C(3) bond length is 1.50 Å. The C(24)-H(21) bond length is 1.09 Å. The C(24)-H(22) bond length is 1.10 Å. The C(24)-H(23) bond length is 1.10 Å. In the seventeenth C site, C(25) is bonded in a distorted trigonal planar geometry to one N(3) and one H(24) atom. The C(25)-N(3) bond length is 1.35 Å. The C(25)-H(24) bond length is 1.09 Å. In the eighteenth C site, C(26) is bonded in a distorted single-bond geometry to one C(16), one C(19), and one H(25) atom. The C(26)-H(25) bond length is 1.09 Å. In the nineteenth C site, C(27) is bonded in a distorted water-like geometry to one C(2), one H(26), one H(27), and one S(2) atom. The C(27)-C(2) bond length is 1.51 Å. The C(27)-H(26) bond length is 1.10 Å. The C(27)-H(27) bond length is 1.10 Å. The C(27)-S(2) bond length is 1.82 Å. In the twentieth C site, C(1) is bonded in a trigonal planar geometry to one C(11), one C(9), and one S(2) atom. The C(1)-S(2) bond length is 1.73 Å. In the twenty-first C site, C(2) is bonded in a trigonal planar geometry to one C(27), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.41 Å. The C(2)-C(7) bond length is 1.41 Å. In the twenty-second C site, C(3) is bonded in a trigonal planar geometry to one C(10), one C(2), and one C(24) atom. In the twenty-third C site, C(4) is bonded in a distorted water-like geometry to one C(10), one H(1), one H(2), and one S(1) atom. The C(4)-H(1) bond length is 1.09 Å. The C(4)-H(2) bond length is 1.10 Å. The C(4)-S(1) bond length is 1.82 Å. In the twenty-fourth C site, C(5) is bonded in a trigonal planar geometry to one C(10), one C(23), and one C(8) atom. In the twenty-fifth C site, C(7) is bonded in a trigonal planar geometry to one C(2), one C(21), and one C(8) atom. There are two inequivalent N sites. In the first N site, N(2) is bonded in a distorted trigonal planar geometry to one Hg(2), one C(12), and one C(15) atom. In the second N site, N(3) is bonded in a trigonal planar geometry to one Hg(2), one C(16), and one C(25) atom. There are twenty-five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(12) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(14) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(15) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(16) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(18) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one C(20) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one C(20) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one C(21) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(21) atom. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one C(21) atom. In the sixteenth H site, H(18) is bonded in a single-bond geometry to one C(23) atom. In the seventeenth H site, H(19) is bonded in a single-bond geometry to one C(23) atom. In the eighteenth H site, H(20) is bonded in a single-bond geometry to one C(23) atom. In the nineteenth H site, H(21) is bonded in a single-bond geometry to one C(24) atom. In the twentieth H site, H(22) is bonded in a single-bond geometry to one C(24) atom. In the twenty-first H site, H(23) is bonded in a single-bond geometry to one C(24) atom. In the twenty-second H site, H(24) is bonded in a single-bond geometry to one C(25) atom. In the twenty-third H site, H(25) is bonded in a single-bond geometry to one C(26) atom. In the twenty-fourth H site, H(26) is bonded in a single-bond geometry to one C(27) atom. In the twenty-fifth H site, H(27) is bonded in a single-bond geometry to one C(27) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one C(22) and one C(4) atom. In the second S site, S(2) is bonded in a water-like geometry to one C(1) and one C(27) atom. In the third S site, S(3) is bonded in a water-like geometry to one C(19) and one C(20) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a single-bond geometry to one Hg(2) atom. In the second I site, I(3) is bonded in a single-bond geometry to one Hg(2) 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(2) atoms. Both Hg(1)-N(1) bond lengths are 2.45 Å. Both Hg(1)-I(2) bond lengths are 2.68 Å. There are two inequivalent C sites. In the first C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(3) atom. The C(6)-N(1) bond length is 1.35 Å. The C(6)-H(3) bond length is 1.09 Å. In the second C site, C(17) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(11) atom. The C(17)-N(1) bond length is 1.34 Å. The C(17)-H(11) bond length is 1.09 Å. N(1) is bonded in a trigonal planar geometry to one Hg(1), one C(17), and one C(6) atom. There are two inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the second H site, H(11) is bonded in a single-bond geometry to one C(17) atom. I(2) is bonded in a single-bond geometry to one Hg(1) atom. Linkers: 1 Cc1c(CSc2ccncc2)c(C)c(CSc2ccncc2)c(C)c1CSc1ccncc1. Metal clusters: . The MOF has largest included sphere 4.95 A, density 2.12 g/cm3, surface area 3215.63 m2/g, accessible volume 0.16 cm3/g