CuC6N5H4O2CH3 crystallizes in the tetragonal I4_1/a space group. The structure consists of sixteen 02329_fluka molecules inside a CuC6N5H4O2 framework. In the CuC6N5H4O2 framework, Cu(1) is bonded in a distorted square pyramidal geometry to one N(2), one N(4), one N(5), one O(1), and one O(2) atom. The Cu(1)-N(2) bond length is 2.01 Å. The Cu(1)-N(4) bond length is 2.16 Å. The Cu(1)-N(5) bond length is 1.98 Å. The Cu(1)-O(1) bond length is 1.99 Å. The Cu(1)-O(2) bond length is 2.04 Å. There are six 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 1.31 Å. The C(1)-N(2) bond length is 1.33 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(2), and one N(5) atom. The C(2)-C(3) bond length is 1.41 Å. The C(2)-N(2) bond length is 1.36 Å. The C(2)-N(5) bond length is 1.33 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one N(4) atom. The C(3)-C(4) bond length is 1.32 Å. The C(3)-N(4) bond length is 1.34 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one N(1), and one N(3) atom. The C(4)-N(1) bond length is 1.44 Å. The C(4)-N(3) bond length is 1.36 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(4), one N(5), and one H(4) atom. The C(5)-N(4) bond length is 1.33 Å. The C(5)-N(5) bond length is 1.34 Å. The C(5)-H(4) bond length is 0.93 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(6)-O(1) bond length is 1.24 Å. The C(6)-O(2) bond length is 1.25 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(1) and one C(4) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), 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(4), one H(2), and one H(3) atom. The N(3)-H(2) bond length is 0.86 Å. The N(3)-H(3) bond length is 0.86 Å. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(3), and one C(5) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(1), one C(2), and one C(5) atom. There are four 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 N(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(6) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(6) atom. Linkers: 1 NC1=C2N=C[N]C2=[N]=C[N]1 ,5 Nc1ncnc2c1N=C[N]2 ,2 NC1=C2N=CN=C2[N]C=N1. Metal clusters: 4 C[C]1O[Cu]2O[C](C)O[Cu]2O1. The MOF has largest included sphere 5.58 A, density 1.29 g/cm3, surface area 3930.66 m2/g, accessible volume 0.43 cm3/g