Mo2CuC11H7(N3O4)2 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), and three equivalent O(2) atoms. The Mo(1)-O(1) bond length is 1.71 Å. The Mo(1)-O(3) bond length is 1.72 Å. The Mo(1)-O(4) bond length is 2.28 Å. There are two shorter (1.95 Å) and one longer (2.42 Å) Mo(1)-O(2) bond length. Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Cu(1)-N(1) bond lengths are 1.85 Å. There are seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to two equivalent C(2) and one H(1) atom. Both C(1)-C(2) bond lengths are 1.40 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one N(2) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-N(2) bond length is 1.42 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(5), and one H(2) atom. The C(3)-C(5) bond length is 1.39 Å. The C(3)-H(2) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(5) and two equivalent O(4) atoms. The C(4)-C(5) bond length is 1.49 Å. Both C(4)-O(4) bond lengths are 1.27 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4) and two equivalent C(3) atoms. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(3) atom. The C(6)-N(1) bond length is 1.34 Å. The C(6)-N(2) bond length is 1.35 Å. The C(6)-H(3) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(4) atom. The C(7)-N(1) bond length is 1.38 Å. The C(7)-N(3) bond length is 1.32 Å. The C(7)-H(4) bond length is 1.08 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(6), and one C(7) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one N(3) atom. The N(2)-N(3) bond length is 1.37 Å. In the third N site, N(3) is bonded in a water-like geometry to one C(7) and one N(2) atom. There are four 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(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(7) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mo(1) and one C(4) atom. Linkers: 2 [O]C(=O)c1cc(N2[CH]N=C[N]2)cc(-n2cncn2)c1. Metal clusters: 2 [Cu] ,4 [Mo]. The MOF has largest included sphere 2.26 A, density 2.42 g/cm3, surface area 2771.17 m2/g, accessible volume 0.10 cm3/g