CuC12(OBr)4 crystallizes in the cubic Im-3m space group. Cu(1) is bonded in a distorted square pyramidal geometry to one Cu(1) and four equivalent O(1) atoms. The Cu(1)-Cu(1) bond length is 2.66 Å. All Cu(1)-O(1) bond lengths are 1.95 Å. There are four inequivalent C sites. In the first C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(3) and two equivalent O(1) atoms. The C(2)-C(3) bond length is 1.51 Å. Both C(2)-O(1) bond lengths are 1.24 Å. In the second C site, C(3) is bonded in a 5-coordinate geometry to one C(2), two equivalent C(1), and two equivalent C(4) atoms. Both C(3)-C(1) bond lengths are 1.32 Å. Both C(3)-C(4) bond lengths are 1.30 Å. In the third C site, C(1) is bonded in a 4-coordinate geometry to one C(3) and three equivalent C(4) atoms. There is one shorter (1.50 Å) and two longer (1.60 Å) C(1)-C(4) bond lengths. In the fourth C site, C(4) is bonded in a 5-coordinate geometry to one C(3), three equivalent C(1), and one Br(1) atom. The C(4)-Br(1) bond length is 1.92 Å. O(1) is bonded in a single-bond geometry to one Cu(1) and one C(2) atom. Br(1) is bonded in a single-bond geometry to one C(4) atom. Linkers: 12 C123C45C67C1(C18C29C42C61C928)C357.[Br].[Br].[Br].[Br].[O][C]=O.[O][C]=O. Metal clusters: 6 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. RCSR code: nbo. The MOF has largest included sphere 16.15 A, density 1.17 g/cm3, surface area 1867.38 m2/g, accessible volume 0.62 cm3/g