CuC5N2H8O crystallizes in the monoclinic C2/m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent O(1) atoms. Both Cu(1)-N(1) bond lengths are 1.95 Å. Both Cu(1)-O(1) bond lengths are 1.93 Å. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent N(2) and two equivalent O(2) atoms. Both Cu(2)-N(2) bond lengths are 1.96 Å. Both Cu(2)-O(2) bond lengths are 1.93 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 1.34 Å. The C(1)-N(2) bond length is 1.34 Å. The C(1)-H(1) bond length is 0.95 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one C(4), and one N(1) atom. The C(2)-C(3) bond length is 1.41 Å. The C(2)-C(4) bond length is 1.40 Å. The C(2)-N(1) bond length is 1.39 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(2) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-N(2) bond length is 1.40 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(2), one C(3), and one H(2) atom. The C(4)-H(2) bond length is 0.95 Å. In the fifth C site, C(5) is bonded in a 7-coordinate geometry to two equivalent H(6), two equivalent H(7), two equivalent H(8), and one O(1) atom. Both C(5)-H(6) bond lengths are 0.98 Å. Both C(5)-H(7) bond lengths are 0.98 Å. Both C(5)-H(8) bond lengths are 0.98 Å. The C(5)-O(1) bond length is 1.43 Å. In the sixth C site, C(6) is bonded in a 7-coordinate geometry to two equivalent H(3), two equivalent H(4), two equivalent H(5), and one O(2) atom. Both C(6)-H(3) bond lengths are 0.98 Å. Both C(6)-H(4) bond lengths are 0.98 Å. Both C(6)-H(5) bond lengths are 0.98 Å. The C(6)-O(2) bond length is 1.43 Å. 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(1), and one C(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(1), and one C(3) 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(4) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one C(6) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one C(5) atom. In the seventh H site, H(7) is bonded in a distorted single-bond geometry to one C(5) atom. In the eighth H site, H(8) is bonded in a distorted 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 distorted trigonal planar geometry to two equivalent Cu(1) and one C(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2) and one C(6) atom. Linkers: 4 C1=Nc2cc3c(cc2[N]1)N=C[N]3. Metal clusters: 3 C.C.[Cu].[H].[H].[H].[H].[O][Cu][O] ,1 C.C.[H].[H].[H].[H].[O][Cu].[O][Cu]. The MOF has largest included sphere 4.60 A, density 1.43 g/cm3, surface area 3514.34 m2/g, accessible volume 0.29 cm3/g