MoC2NH2O3 crystallizes in the orthorhombic Pbca space group. Mo(1) is bonded in a 6-coordinate geometry to one N(1), one O(3), two equivalent O(1), and two equivalent O(2) atoms. The Mo(1)-N(1) bond length is 2.47 Å. The Mo(1)-O(3) bond length is 1.71 Å. There is one shorter (1.79 Å) and one longer (2.11 Å) Mo(1)-O(1) bond length. There is one shorter (1.83 Å) and one longer (1.99 Å) Mo(1)-O(2) bond length. There are two inequivalent C sites. In the first C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one N(1), and one H(2) atom. The C(2)-C(1) bond length is 1.39 Å. The C(2)-N(1) bond length is 1.34 Å. The C(2)-H(2) bond length is 1.09 Å. In the second C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(1) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.09 Å. N(1) is bonded in a distorted bent 120 degrees geometry to one Mo(1), one C(1), and one C(2) 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(2) is bonded in a single-bond geometry to one C(2) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(1) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the third O site, O(2) is bonded in a linear geometry to two equivalent Mo(1) atoms. Linkers: 4 c1cnccn1. Metal clusters: 8 [Mo]. The MOF has largest included sphere 1.27 A, density 3.07 g/cm3, surface area 1946.69 m2/g, accessible volume 0.05 cm3/g