CuC12N2H8Br crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one N(1), one N(2), and two equivalent Br(1) atoms to form distorted corner-sharing CuBr2N2 tetrahedra. The Cu(1)-N(1) bond length is 1.97 Å. The Cu(1)-N(2) bond length is 1.98 Å. There is one shorter (2.45 Å) and one longer (2.58 Å) Cu(1)-Br(1) bond length. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(12) and one H(1) atom. The C(1)-C(12) bond length is 1.41 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(10) and one H(2) atom. The C(2)-C(10) bond length is 1.41 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(2), and one H(3) atom. The C(3)-C(10) bond length is 1.41 Å. The C(3)-N(2) bond length is 1.34 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(6) and one H(4) atom. The C(4)-C(6) bond length is 1.39 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(7), one N(2), and one H(5) atom. The C(5)-C(7) bond length is 1.39 Å. The C(5)-N(2) bond length is 1.35 Å. The C(5)-H(5) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one H(6) atom. The C(6)-N(1) bond length is 1.36 Å. The C(6)-H(6) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(5) and one H(7) atom. The C(7)-H(7) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(12), one N(1), and one H(8) atom. The C(8)-C(12) bond length is 1.41 Å. The C(8)-N(1) bond length is 1.35 Å. The C(8)-H(8) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a linear geometry to one C(12) and one C(9) atom. The C(9)-C(12) bond length is 1.41 Å. The C(9)-C(9) bond length is 1.22 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(2), and one C(3) atom. The C(10)-C(11) bond length is 1.41 Å. In the eleventh C site, C(11) is bonded in a linear geometry to one C(10) and one C(11) atom. The C(11)-C(11) bond length is 1.22 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(1), one C(8), and one C(9) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(6), and one C(8) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(3), and one C(5) atom. There are eight 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(5) 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(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(8) atom. Br(1) is bonded in a water-like geometry to two equivalent Cu(1) atoms. Linkers: 4 C(#Cc1cccnc1)c1cccnc1 ,2 [C][CH]/C(C#Cc1cccnc1)=C\[N]. Metal clusters: 4 [Cu]. The MOF has largest included sphere 1.92 A, density 2.00 g/cm3, surface area 4009.22 m2/g, accessible volume 0.08 cm3/g