MoCuC5NH4O4 crystallizes in the triclinic P-1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(6), one O(7), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(1)NO5 octahedra and corners with three equivalent Cu(2)NO5 octahedra. The corner-sharing octahedral tilt angles range from 28-64°. The Mo(1)-O(2) bond length is 1.75 Å. The Mo(1)-O(6) bond length is 1.81 Å. The Mo(1)-O(7) bond length is 1.81 Å. The Mo(1)-O(8) bond length is 1.76 Å. In the second Mo site, Mo(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form MoO4 tetrahedra that share corners with two equivalent Cu(2)NO5 octahedra and corners with three equivalent Cu(1)NO5 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. The Mo(2)-O(1) bond length is 1.82 Å. The Mo(2)-O(3) bond length is 1.73 Å. The Mo(2)-O(4) bond length is 1.78 Å. The Mo(2)-O(5) bond length is 1.82 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(1), one O(1), one O(6), one O(7), and two equivalent O(5) atoms to form distorted CuNO5 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Cu(1)NO5 octahedra, and  an edgeedge with one Cu(2)NO5 octahedra. The Cu(1)-N(1) bond length is 2.01 Å. The Cu(1)-O(1) bond length is 2.40 Å. The Cu(1)-O(6) bond length is 1.95 Å. The Cu(1)-O(7) bond length is 1.94 Å. There is one shorter (2.01 Å) and one longer (2.41 Å) Cu(1)-O(5) bond length. In the second Cu site, Cu(2) is bonded to one N(2), one O(1), one O(2), one O(4), one O(6), and one O(8) atom to form distorted CuNO5 octahedra that share corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra, and  an edgeedge with one Cu(1)NO5 octahedra. The Cu(2)-N(2) bond length is 2.00 Å. The Cu(2)-O(1) bond length is 1.99 Å. The Cu(2)-O(2) bond length is 2.34 Å. The Cu(2)-O(4) bond length is 1.96 Å. The Cu(2)-O(6) bond length is 2.54 Å. The Cu(2)-O(8) bond length is 1.91 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(1) atom. The C(1)-N(2) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(3) and one H(2) atom. The C(2)-C(3) bond length is 1.41 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(10), one C(2), and one C(4) atom. The C(3)-C(10) bond length is 1.48 Å. The C(3)-C(4) bond length is 1.41 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(2), and one H(4) atom. The C(5)-N(2) bond length is 1.35 Å. The C(5)-H(4) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(7), one N(1), and one H(5) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-N(1) bond length is 1.35 Å. The C(6)-H(5) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(10), one C(6), and one H(6) atom. The C(7)-C(10) bond length is 1.41 Å. The C(7)-H(6) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(9), one N(1), and one H(7) atom. The C(8)-C(9) bond length is 1.38 Å. The C(8)-N(1) bond length is 1.34 Å. The C(8)-H(7) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(8), and one H(8) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-H(8) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(3), one C(7), and one C(9) atom. There are two 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(8) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(1), and one C(5) atom. There are eight 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(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) 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(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(8) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(9) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(2), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one Cu(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(2) and one Cu(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mo(2) and two equivalent Cu(1) atoms. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mo(1), one Cu(1), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mo(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cu(2) atom. Linkers: 2 c1cc(-c2ccncc2)ccn1. Metal clusters: 4 [Cu] ,4 [Mo]. The MOF has largest included sphere 3.78 A, density 2.36 g/cm3, surface area 2379.65 m2/g, accessible volume 0.17 cm3/g