HgC27H21(N4Cl)2(CH)3 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve 02329_fluka molecules and four HgC27H21(N4Cl)2 clusters. In each HgC27H21(N4Cl)2 cluster, Hg(1) is bonded in a tetrahedral geometry to one N(2), one N(6), one Cl(1), and one Cl(2) atom. The Hg(1)-N(2) bond length is 2.43 Å. The Hg(1)-N(6) bond length is 2.33 Å. The Hg(1)-Cl(1) bond length is 2.47 Å. The Hg(1)-Cl(2) bond length is 2.44 Å. There are twenty-seven inequivalent C sites. In the first C site, C(8) is bonded in a distorted trigonal non-coplanar geometry to one C(9), one N(5), one H(6), and one H(7) atom. The C(8)-C(9) bond length is 1.51 Å. The C(8)-N(5) bond length is 1.46 Å. The C(8)-H(6) bond length is 1.10 Å. The C(8)-H(7) bond length is 1.10 Å. In the second C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(8) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-C(14) bond length is 1.40 Å. In the third C site, C(10) is bonded in a distorted single-bond geometry to one C(9) and one H(8) atom. The C(10)-H(8) bond length is 1.09 Å. In the fourth C site, C(11) is bonded in a distorted single-bond geometry to one C(12) and one H(9) atom. The C(11)-C(12) bond length is 1.41 Å. The C(11)-H(9) bond length is 1.09 Å. In the fifth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(15) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-C(15) bond length is 1.46 Å. In the sixth C site, C(13) is bonded in a distorted single-bond geometry to one C(12) and one H(10) atom. The C(13)-H(10) bond length is 1.09 Å. In the seventh C site, C(14) is bonded in a distorted single-bond geometry to one C(9) and one H(11) atom. The C(14)-H(11) bond length is 1.09 Å. In the eighth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(12), one N(1), and one N(3) atom. The C(15)-N(1) bond length is 1.33 Å. The C(15)-N(3) bond length is 1.38 Å. In the ninth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(17), one N(2), and one N(3) atom. The C(16)-C(17) bond length is 1.45 Å. The C(16)-N(2) bond length is 1.34 Å. The C(16)-N(3) bond length is 1.37 Å. In the tenth C site, C(17) is bonded in a trigonal planar geometry to one C(16), one C(18), and one C(22) atom. The C(17)-C(18) bond length is 1.41 Å. The C(17)-C(22) bond length is 1.40 Å. In the eleventh C site, C(18) is bonded in a distorted single-bond geometry to one C(17), one C(19), and one H(12) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-H(12) bond length is 1.09 Å. In the twelfth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(18), one C(20), and one H(13) atom. The C(19)-C(20) bond length is 1.40 Å. The C(19)-H(13) bond length is 1.09 Å. In the thirteenth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(23) atom. The C(20)-C(21) bond length is 1.40 Å. The C(20)-C(23) bond length is 1.51 Å. In the fourteenth C site, C(21) is bonded in a distorted single-bond geometry to one C(20) and one H(14) atom. The C(21)-H(14) bond length is 1.09 Å. In the fifteenth C site, C(22) is bonded in a distorted single-bond geometry to one C(17) and one H(15) atom. The C(22)-H(15) bond length is 1.09 Å. In the sixteenth C site, C(23) is bonded in a distorted trigonal non-coplanar geometry to one C(20), one N(7), one H(16), and one H(17) atom. The C(23)-N(7) bond length is 1.45 Å. The C(23)-H(16) bond length is 1.10 Å. The C(23)-H(17) bond length is 1.10 Å. In the seventeenth C site, C(24) is bonded in a trigonal planar geometry to one N(7), one N(8), and one H(18) atom. The C(24)-N(7) bond length is 1.37 Å. The C(24)-N(8) bond length is 1.32 Å. The C(24)-H(18) bond length is 1.09 Å. In the eighteenth C site, C(25) is bonded in a distorted single-bond geometry to one C(26), one C(30), and one N(8) atom. The C(25)-C(26) bond length is 1.42 Å. The C(25)-C(30) bond length is 1.40 Å. The C(25)-N(8) bond length is 1.39 Å. In the nineteenth C site, C(26) is bonded in a distorted single-bond geometry to one C(25), one C(27), and one N(7) atom. The C(26)-C(27) bond length is 1.40 Å. The C(26)-N(7) bond length is 1.39 Å. In the twentieth C site, C(27) is bonded in a distorted single-bond geometry to one C(26), one C(28), and one H(19) atom. The C(27)-C(28) bond length is 1.40 Å. The C(27)-H(19) bond length is 1.09 Å. In the twenty-first C site, C(28) is bonded in a distorted single-bond geometry to one C(27) and one H(20) atom. The C(28)-H(20) bond length is 1.09 Å. In the twenty-second C site, C(30) is bonded in a distorted single-bond geometry to one C(25) and one H(22) atom. The C(30)-H(22) bond length is 1.09 Å. In the twenty-third C site, C(1) is bonded in a distorted single-bond geometry to one C(2) and one H(1) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-H(1) bond length is 1.09 Å. In the twenty-fourth C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one N(6) atom. The C(2)-C(3) bond length is 1.42 Å. The C(2)-N(6) bond length is 1.39 Å. In the twenty-fifth C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one N(5) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-N(5) bond length is 1.39 Å. In the twenty-sixth C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one H(2) atom. The C(4)-H(2) bond length is 1.09 Å. In the twenty-seventh C site, C(7) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(5) atom. The C(7)-N(5) bond length is 1.36 Å. The C(7)-N(6) bond length is 1.33 Å. The C(7)-H(5) bond length is 1.09 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a distorted water-like geometry to one C(15) and one N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Hg(1), one C(16), and one N(1) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one C(15), one C(16), and one N(4) atom. The N(3)-N(4) bond length is 1.40 Å. In the fourth N site, N(4) is bonded in a 2-coordinate geometry to one N(3), one H(23), and one H(24) atom. The N(4)-H(23) bond length is 1.04 Å. The N(4)-H(24) bond length is 1.02 Å. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(3), one C(7), and one C(8) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Hg(1), one C(2), and one C(7) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one C(23), one C(24), and one C(26) atom. In the eighth N site, N(8) is bonded in a water-like geometry to one C(24) and one C(25) atom. There are twenty-one 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(4) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(13) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(14) 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(19) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one C(21) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one C(22) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(23) atom. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one C(23) atom. In the sixteenth H site, H(18) is bonded in a single-bond geometry to one C(24) atom. In the seventeenth H site, H(19) is bonded in a single-bond geometry to one C(27) atom. In the eighteenth H site, H(20) is bonded in a single-bond geometry to one C(28) atom. In the nineteenth H site, H(22) is bonded in a single-bond geometry to one C(30) atom. In the twentieth H site, H(23) is bonded in a single-bond geometry to one N(4) atom. In the twenty-first H site, H(24) is bonded in a single-bond geometry to one N(4) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Hg(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Hg(1) atom. Linkers: 1 Nn1c(-c2ccc(Cn3cnc4ccccc43)cc2)nnc1-c1ccc(Cn2cnc3ccccc32)cc1. Metal clusters: . The MOF has largest included sphere 4.10 A, density 1.62 g/cm3, surface area 4177.50 m2/g, accessible volume 0.23 cm3/g