CuC5N3H5Br crystallizes in the cubic I-43d space group. Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1) and two equivalent Br(1) atoms. The Cu(1)-N(1) bond length is 2.02 Å. There is one shorter (2.44 Å) and one longer (2.46 Å) Cu(1)-Br(1) bond length. There are five 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 1.32 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one N(2), and one N(3) atom. The C(2)-C(3) bond length is 1.42 Å. The C(2)-N(2) bond length is 1.35 Å. The C(2)-N(3) bond length is 1.36 Å. In the third C site, C(5) is bonded in a tetrahedral geometry to one N(3), one H(3), one H(4), and one H(5) atom. The C(5)-N(3) bond length is 1.46 Å. The C(5)-H(3) bond length is 1.10 Å. The C(5)-H(4) bond length is 1.10 Å. The C(5)-H(5) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one N(3) atom. The C(4)-C(3) bond length is 1.38 Å. The C(4)-N(1) bond length is 1.36 Å. The C(4)-N(3) bond length is 1.42 Å. In the fifth C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(2) atom. The C(3)-H(2) bond length is 1.09 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(4) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to 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(2), one C(4), and one C(5) atom. There are five inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. Br(1) is bonded in a 2-coordinate geometry to two equivalent Cu(1) atoms. Linkers: 6 CN1c2cc(ncn2)N(C)c2cc(ncn2)N(C)c2cc(ncn2)N(C)c2cc1ncn2. Metal clusters: 6 Br[Cu@]12[Cu@]3(Br)[Cu@@]1(Br)[Cu@]23Br. The MOF has largest included sphere 5.03 A, density 1.77 g/cm3, surface area 3070.64 m2/g, accessible volume 0.23 cm3/g