MgB2H16(C2N)4 is Copper structured and crystallizes in the orthorhombic Ccce space group. The structure is zero-dimensional and consists of four MgB2H16(C2N)4 clusters. Mg(1) is bonded to four equivalent N(1) and four equivalent H(3) atoms to form MgH4N4 hexagonal bipyramids that share edges with two equivalent B(1)H4 tetrahedra. All Mg(1)-N(1) bond lengths are 2.27 Å. All Mg(1)-H(3) bond lengths are 2.15 Å. B(1) is bonded to two equivalent H(3) and two equivalent H(4) atoms to form BH4 tetrahedra that share  an edgeedge with one Mg(1)H4N4 hexagonal bipyramid. Both B(1)-H(3) bond lengths are 1.22 Å. Both B(1)-H(4) bond lengths are 1.22 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(2) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(2) atom. The C(2)-N(1) bond length is 1.34 Å. The C(2)-H(2) bond length is 1.09 Å. N(1) is bonded in a trigonal planar geometry to one Mg(1), one C(1), and one C(2) atom. There are four inequivalent H sites. In the first H site, H(4) is bonded in a single-bond geometry to one B(1) atom. In the second H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(3) is bonded in a distorted L-shaped geometry to one Mg(1) and one B(1) atom. Linkers: 4 c1cnccn1. Metal clusters: 2 [Mg].[BH4].[BH4]. The MOF has largest included sphere 1.76 A, density 1.23 g/cm3, surface area 5109.96 m2/g, accessible volume 0.16 cm3/g