CuC6N4H5O crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent N(1), two equivalent N(3), and two equivalent O(1) atoms to form distorted corner-sharing CuN4O2 octahedra. The corner-sharing octahedral tilt angles are 59°. Both Cu(1)-N(1) bond lengths are 2.52 Å. Both Cu(1)-N(3) bond lengths are 2.10 Å. Both Cu(1)-O(1) bond lengths are 1.94 Å. In the second Cu site, Cu(2) is bonded to two equivalent N(2), two equivalent N(4), and two equivalent O(1) atoms to form corner-sharing CuN4O2 octahedra. The corner-sharing octahedral tilt angles are 59°. Both Cu(2)-N(2) bond lengths are 2.11 Å. Both Cu(2)-N(4) bond lengths are 2.39 Å. Both Cu(2)-O(1) bond lengths are 1.95 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(2) atom. The C(1)-C(2) bond length is 1.42 Å. The C(1)-N(1) bond length is 1.31 Å. The C(1)-H(2) bond length is 0.94 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(5) atom. The C(2)-C(3) bond length is 1.43 Å. The C(2)-C(5) bond length is 1.38 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(3), and one H(3) atom. The C(3)-N(3) bond length is 1.31 Å. The C(3)-H(3) bond length is 0.94 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(2), and one H(4) atom. The C(4)-C(5) bond length is 1.43 Å. The C(4)-N(2) bond length is 1.31 Å. The C(4)-H(4) bond length is 0.94 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(5)-C(6) bond length is 1.43 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(4), and one H(5) atom. The C(6)-N(4) bond length is 1.31 Å. The C(6)-H(5) bond length is 0.94 Å. There are four 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 N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(4), and one N(1) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(3), and one N(4) atom. The N(3)-N(4) bond length is 1.37 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(2), one C(6), and one N(3) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.94 Å. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) 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(6) atom. O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one H(1) atom. Linkers: 4 c1nncc2cnncc12. Metal clusters: 4 [Cu]. The MOF has largest included sphere 4.88 A, density 1.40 g/cm3, surface area 3606.72 m2/g, accessible volume 0.31 cm3/g