CuC6N8H8O crystallizes in the tetragonal P4_3 space group. Cu(1) is bonded in a trigonal bipyramidal geometry to one N(1), one N(4), one N(5), one N(8), and one O(1) atom. The Cu(1)-N(1) bond length is 1.93 Å. The Cu(1)-N(4) bond length is 1.96 Å. The Cu(1)-N(5) bond length is 1.95 Å. The Cu(1)-N(8) bond length is 1.99 Å. The Cu(1)-O(1) bond length is 2.33 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one N(4) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-N(4) bond length is 1.33 Å. In the second C site, C(2) is bonded in a water-like geometry to one C(1) and two equivalent H(1,2) atoms. Both C(2)-H(1,2) bond lengths are 0.97 Å. In the third C site, C(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent H(3,4) and one O(1) atom. Both C(3)-H(3,4) bond lengths are 0.97 Å. The C(3)-O(1) bond length is 1.43 Å. In the fourth C site, C(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent H(5,6) and one O(1) atom. Both C(4)-H(5,6) bond lengths are 0.97 Å. The C(4)-O(1) bond length is 1.43 Å. In the fifth C site, C(5) is bonded in a water-like geometry to one C(6) and two equivalent H(7,8) atoms. The C(5)-C(6) bond length is 1.50 Å. Both C(5)-H(7,8) bond lengths are 0.97 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one N(5), and one N(8) atom. The C(6)-N(5) bond length is 1.36 Å. The C(6)-N(8) bond length is 1.29 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.36 Å. In the second N site, N(2) is bonded in a water-like geometry to one N(1) and one N(3) atom. The N(2)-N(3) bond length is 1.30 Å. In the third N site, N(3) is bonded in a water-like geometry to one N(2) and one N(4) atom. The N(3)-N(4) bond length is 1.38 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Cu(1), one C(1), and one N(3) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(6), and one N(6) atom. The N(5)-N(6) bond length is 1.35 Å. In the sixth N site, N(6) is bonded in a water-like geometry to one N(5) and one N(7) atom. The N(6)-N(7) bond length is 1.30 Å. In the seventh N site, N(7) is bonded in a water-like geometry to one N(6) and one N(8) atom. The N(7)-N(8) bond length is 1.36 Å. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(6), and one N(7) atom. There are four inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(5,6) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(7,8) is bonded in a single-bond geometry to one C(5) atom. O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(3), and one C(4) atom. Linkers: 4 C(CC1=NN=N[N]1)OCCC1=N[N]N=N1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 5.05 A, density 1.51 g/cm3, surface area 3942.45 m2/g, accessible volume 0.25 cm3/g