CuC9N5H9Br is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four CuC9N5H9Br clusters. Cu(1) is bonded in a 5-coordinate geometry to one C(1), one C(2), one N(5), and two equivalent Br(1) atoms. The Cu(1)-C(1) bond length is 2.03 Å. The Cu(1)-C(2) bond length is 2.07 Å. The Cu(1)-N(5) bond length is 1.98 Å. There is one shorter (2.53 Å) and one longer (2.59 Å) Cu(1)-Br(1) bond length. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one H(1), and one H(2) atom. The C(1)-H(1) bond length is 1.09 Å. The C(1)-H(2) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one Cu(1) and one H(3) atom. The C(2)-H(3) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to one N(4), one H(4), and one H(5) atom. The C(3)-N(4) bond length is 1.47 Å. The C(3)-H(4) bond length is 1.10 Å. The C(3)-H(5) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(5), one C(7), and one H(6) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-C(7) bond length is 1.39 Å. The C(4)-H(6) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(8), and one C(9) atom. The C(5)-C(8) bond length is 1.40 Å. The C(5)-C(9) bond length is 1.46 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(8), one N(5), and one H(7) atom. The C(6)-C(8) bond length is 1.39 Å. The C(6)-N(5) bond length is 1.35 Å. The C(6)-H(7) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(4), one N(5), and one H(8) atom. The C(7)-N(5) bond length is 1.35 Å. The C(7)-H(8) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(5), one C(6), and one H(9) atom. The C(8)-H(9) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one N(2) atom. The C(9)-N(1) bond length is 1.34 Å. The C(9)-N(2) bond length is 1.37 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted water-like geometry to one C(9) and one N(4) atom. The N(1)-N(4) bond length is 1.33 Å. In the second N site, N(2) is bonded in a water-like geometry to one C(9) and one N(3) atom. The N(2)-N(3) bond length is 1.32 Å. In the third N site, N(3) is bonded in a water-like geometry to one N(2) and one N(4) atom. The N(3)-N(4) bond length is 1.34 Å. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one N(3) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(1), one C(6), and one C(7) atom. There are nine 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(1) 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(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(6) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(7) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(8) atom. Br(1) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. Linkers: 1 [CH]Cn1nnc(-c2ccncc2)n1 ,1 [CH]CN1[N]N=C(c2ccncc2)[N]1. Metal clusters: 2 [Br].[Br].[CH]C[Cu].[CH]C[Cu]. The MOF has largest included sphere 2.04 A, density 2.05 g/cm3, surface area 3839.11 m2/g, accessible volume 0.10 cm3/g