Mo3Cu2C3H3(NO5)2CH crystallizes in the orthorhombic Cmcm space group. The structure consists of four 02329_fluka molecules inside a Mo3Cu2C3H3(NO5)2 framework. In the Mo3Cu2C3H3(NO5)2 framework, there are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Mo(1)-O(1) bond lengths are 2.24 Å. Both Mo(1)-O(2) bond lengths are 1.93 Å. Both Mo(1)-O(3) bond lengths are 1.75 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Both Mo(2)-O(1) bond lengths are 1.97 Å. Both Mo(2)-O(2) bond lengths are 2.20 Å. Both Mo(2)-O(4) bond lengths are 1.75 Å. Cu(1) is bonded in a tetrahedral geometry to one N(1), one O(3), and two equivalent O(4) atoms. The Cu(1)-N(1) bond length is 2.00 Å. The Cu(1)-O(3) bond length is 1.97 Å. Both Cu(1)-O(4) bond lengths are 2.05 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(3) is bonded in a trigonal planar geometry to two equivalent N(1) and one H(3) atom. Both C(3)-N(1) bond lengths are 1.34 Å. The C(3)-H(3) bond length is 1.08 Å. N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(3) atom. There are two 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(3) is bonded in a single-bond geometry to one C(3) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mo(1) and two equivalent Mo(2) atoms. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cu(1) atom. In the third O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mo(2) and one Cu(1) atom. In the fourth O site, O(1) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(2) atoms. Linkers: 2 c1cncnc1. Metal clusters: 4 [Cu] ,6 [Mo]. The MOF has largest included sphere 1.65 A, density 3.77 g/cm3, surface area 1596.72 m2/g, accessible volume 0.03 cm3/g