MgC3H6(NO)4 crystallizes in the orthorhombic Pca2_1 space group. Mg(1) is bonded in an octahedral geometry to one N(1), one N(4), one O(1), one O(2), one O(3), and one O(4) atom. The Mg(1)-N(1) bond length is 2.21 Å. The Mg(1)-N(4) bond length is 2.20 Å. The Mg(1)-O(1) bond length is 2.12 Å. The Mg(1)-O(2) bond length is 2.05 Å. The Mg(1)-O(3) bond length is 2.04 Å. The Mg(1)-O(4) bond length is 2.11 Å. There are three inequivalent C sites. In the first C site, C(2) is bonded in a distorted water-like geometry to one C(1), one H(1), and one H(2) atom. The C(2)-C(1) bond length is 1.49 Å. The C(2)-H(1) bond length is 1.09 Å. The C(2)-H(2) bond length is 1.10 Å. In the second C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(3)-O(1) bond length is 1.27 Å. The C(3)-O(2) bond length is 1.27 Å. In the third C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(2), and one N(4) atom. The C(1)-N(2) bond length is 1.34 Å. The C(1)-N(4) bond length is 1.35 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Mg(1), one N(2), and one N(3) atom. The N(1)-N(2) bond length is 1.34 Å. The N(1)-N(3) bond length is 1.32 Å. In the second N site, N(2) is bonded in a 3-coordinate geometry to one C(1), one N(1), and one H(3) atom. The N(2)-H(3) bond length is 1.70 Å. In the third N site, N(3) is bonded in a 2-coordinate geometry to one N(1) and one N(4) atom. The N(3)-N(4) bond length is 1.34 Å. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Mg(1), one C(1), and one N(3) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) 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 distorted single-bond geometry to one N(2) and one O(3) atom. The H(3)-O(3) bond length is 1.01 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. The H(4)-O(3) bond length is 0.98 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(4) atom. The H(5)-O(4) bond length is 1.00 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(4) atom. The H(6)-O(4) bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(3), and one H(4) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(5), and one H(6) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Mg(1) and one C(3) atom. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one C(3) atom. Linkers: 4 [O]C(=O)CC1=NN=N[N]1. Metal clusters: 4 [Mg]. The MOF has largest included sphere 1.54 A, density 1.91 g/cm3, surface area 3497.88 m2/g, accessible volume 0.09 cm3/g