CuC5H(NO)2(CH)3 crystallizes in the tetragonal I4_1/a space group. The structure consists of forty-eight 02329_fluka molecules inside a CuC5H(NO)2 framework. In the CuC5H(NO)2 framework, Cu(1) is bonded in a rectangular see-saw-like geometry to one N(1), one N(2), one O(1), and one O(2) atom. The Cu(1)-N(1) bond length is 2.00 Å. The Cu(1)-N(2) bond length is 1.93 Å. The Cu(1)-O(1) bond length is 2.01 Å. The Cu(1)-O(2) bond length is 1.97 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(6), one O(1), and one O(2) atom. The C(1)-C(6) bond length is 1.46 Å. The C(1)-O(1) bond length is 1.25 Å. The C(1)-O(2) bond length is 1.26 Å. In the second C site, C(4) is bonded in a trigonal planar geometry to one C(5), one C(6), and one C(7) atom. The C(4)-C(5) bond length is 1.41 Å. The C(4)-C(6) bond length is 1.39 Å. The C(4)-C(7) bond length is 1.42 Å. In the third C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one N(2) atom. The C(5)-N(2) bond length is 1.37 Å. In the fourth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(1), one C(4), and one N(1) atom. The C(6)-N(1) bond length is 1.33 Å. In the fifth C site, C(7) is bonded in a distorted single-bond geometry to one C(4) and one H(3) atom. The C(7)-H(3) bond length is 0.93 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(6), 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 distorted trigonal planar geometry to one Cu(1), one C(5), and one N(1) atom. H(3) is bonded in a single-bond geometry to one C(7) 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(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(1) atom. Linkers: 1 [O]C(=O)C1=C2C=CC=C[C]2N=N1 ,1 [O]C(=O)C1=NN=C2C=CC=C[C]21 ,3 [O]C(=O)C1=C2[CH]C=CC=C2N=N1 ,2 [O]C(=O)C1=c2ccccc2=N[N]1 ,1 [O]C(=O)C1=C2C=C[CH]C=C2N=N1. Metal clusters: 8 [Cu]. The MOF has largest included sphere 5.30 A, density 1.31 g/cm3, surface area 3843.67 m2/g, accessible volume 0.34 cm3/g