CuC5H6(NO)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(3) atoms to form distorted CuN2O4 octahedra that share corners with two equivalent C(5)H3O tetrahedra and edges with two equivalent Cu(2)N2O4 octahedra. Both Cu(1)-N(1) bond lengths are 1.99 Å. Both Cu(1)-O(1) bond lengths are 1.97 Å. Both Cu(1)-O(3) bond lengths are 2.59 Å. In the second Cu site, Cu(2) is bonded to two equivalent N(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuN2O4 octahedra that share corners with two equivalent C(5)H3O tetrahedra and edges with two equivalent Cu(1)N2O4 octahedra. Both Cu(2)-N(1) bond lengths are 2.51 Å. Both Cu(2)-O(2) bond lengths are 1.95 Å. Both Cu(2)-O(3) bond lengths are 2.05 Å. There are five inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(2) bond length is 1.28 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(4) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(4) bond length is 1.40 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one H(1) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(2), one C(3), and one H(2) atom. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(5) is bonded to one H(3), one H(4), one H(5), and one O(3) atom to form CH3O tetrahedra that share  a cornercorner with one Cu(1)N2O4 octahedra and  a cornercorner with one Cu(2)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. The C(5)-H(3) bond length is 1.10 Å. The C(5)-H(4) bond length is 1.09 Å. The C(5)-H(5) bond length is 1.10 Å. The C(5)-O(3) bond length is 1.44 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one N(2) atom. The N(1)-N(2) bond length is 1.20 Å. In the second N site, N(2) is bonded in a linear geometry to one N(1) and one N(3) atom. The N(2)-N(3) bond length is 1.17 Å. In the third N site, N(3) is bonded in a distorted bent 150 degrees geometry to one N(2) and one H(6) atom. The N(3)-H(6) bond length is 1.64 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) 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 single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) 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 distorted single-bond geometry to one N(3) and one O(3) atom. The H(6)-O(3) bond length is 1.01 Å. There are three 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(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cu(1), one Cu(2), one C(5), and one H(6) atom. Linkers: 1 [O]C(=O)c1ccc(C([O])=O)cc1. Metal clusters: 2 [Cu]. The MOF has largest included sphere 2.04 A, density 1.92 g/cm3, surface area 3810.23 m2/g, accessible volume 0.09 cm3/g