HgC14N4H13I2Br is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one HgC14N4H13I2Br cluster. Hg(1) is bonded in a 4-coordinate geometry to one N(2), one N(4), one I(1), and one I(2) atom. The Hg(1)-N(2) bond length is 2.36 Å. The Hg(1)-N(4) bond length is 2.40 Å. The Hg(1)-I(1) bond length is 2.75 Å. The Hg(1)-I(2) bond length is 2.75 Å. There are fourteen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(1) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-N(2) bond length is 1.33 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a 3-coordinate geometry to one C(3), one N(2), and one H(2) atom. The C(2)-C(3) bond length is 1.38 Å. The C(2)-N(2) bond length is 1.38 Å. The C(2)-H(2) bond length is 1.08 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(3) atom. The C(3)-N(1) bond length is 1.38 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to one C(5), one N(1), one H(4), and one H(5) atom. The C(4)-C(5) bond length is 1.51 Å. The C(4)-N(1) bond length is 1.46 Å. The C(4)-H(4) bond length is 1.10 Å. The C(4)-H(5) bond length is 1.10 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(10), one C(4), and one C(6) atom. The C(5)-C(10) bond length is 1.40 Å. The C(5)-C(6) bond length is 1.40 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5), one C(7), and one H(6) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-H(6) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(6), one C(8), and one Br(1) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-Br(1) bond length is 1.91 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(7), one C(9), and one H(7) atom. The C(8)-C(9) bond length is 1.40 Å. The C(8)-H(7) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(8) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-C(11) bond length is 1.51 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(5), one C(9), and one H(8) atom. The C(10)-H(8) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal non-coplanar geometry to one C(9), one N(3), one H(10), and one H(9) atom. The C(11)-N(3) bond length is 1.45 Å. The C(11)-H(10) bond length is 1.10 Å. The C(11)-H(9) bond length is 1.10 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(11) atom. The C(12)-N(3) bond length is 1.36 Å. The C(12)-N(4) bond length is 1.33 Å. The C(12)-H(11) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(12) atom. The C(13)-N(3) bond length is 1.38 Å. The C(13)-H(12) bond length is 1.08 Å. In the fourteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(13) atom. The C(14)-N(4) bond length is 1.38 Å. The C(14)-H(13) bond length is 1.08 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(3), and one C(4) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Hg(1), one C(1), and one C(2) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(11), one C(12), and one C(13) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Hg(1), one C(12), and one C(14) atom. There are thirteen 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(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) 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(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(8) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(11) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(11) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(12) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(13) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(14) 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. Br(1) is bonded in a single-bond geometry to one C(7) atom. Linkers: 1 Brc1cc(Cn2ccnc2)cc(Cn2ccnc2)c1. Metal clusters: . The MOF has largest included sphere 2.22 A, density 2.80 g/cm3, surface area 2864.02 m2/g, accessible volume 0.10 cm3/g