CuC5N2H4BrCH2 crystallizes in the tetragonal I4_1md space group. The structure consists of sixteen 02329_fluka molecules inside a CuC5N2H4Br framework. In the CuC5N2H4Br framework, Cu(1) is bonded to one N(1), one N(2), and two equivalent Br(1) atoms to form corner-sharing CuBr2N2 tetrahedra. The Cu(1)-N(1) bond length is 2.07 Å. The Cu(1)-N(2) bond length is 2.04 Å. There is one shorter (2.46 Å) and one longer (2.47 Å) Cu(1)-Br(1) bond length. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one N(2) atom. The C(1)-C(3) bond length is 1.48 Å. The C(1)-C(5) bond length is 1.38 Å. The C(1)-N(2) bond length is 1.35 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one N(1) atom. The C(2)-C(4) bond length is 1.54 Å. The C(2)-C(6) bond length is 1.42 Å. The C(2)-N(1) bond length is 1.31 Å. In the third C site, C(3) is bonded in a water-like geometry to one C(1), one H(1), and one H(2) atom. The C(3)-H(1) bond length is 0.96 Å. The C(3)-H(2) bond length is 0.96 Å. In the fourth C site, C(4) is bonded in a water-like geometry to one C(2), one H(3), and one H(4) atom. The C(4)-H(3) bond length is 0.96 Å. The C(4)-H(4) bond length is 0.96 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(6) and two equivalent C(1) atoms. The C(5)-C(6) bond length is 1.39 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(5) and two equivalent C(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(2), and one N(2) atom. The N(1)-N(2) bond length is 1.38 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(1), and one N(1) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) 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(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. Br(1) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. Linkers: 4 C1Cc2nnc3c4c(nnc(c24)C1)CCC3. Metal clusters: 8 [Cu]. The MOF has largest included sphere 5.71 A, density 1.67 g/cm3, surface area 3111.91 m2/g, accessible volume 0.30 cm3/g