NaC3H6(N3O)3 crystallizes in the monoclinic Pc space group. Na(1) is bonded in a 6-coordinate geometry to one N(1), one N(6), two equivalent O(1), and two equivalent O(2) atoms. The Na(1)-N(1) bond length is 2.51 Å. The Na(1)-N(6) bond length is 2.53 Å. There is one shorter (2.40 Å) and one longer (2.41 Å) Na(1)-O(1) bond length. There is one shorter (2.47 Å) and one longer (2.49 Å) Na(1)-O(2) bond length. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one N(4) atom. The C(1)-C(3) bond length is 1.46 Å. The C(1)-N(1) bond length is 1.37 Å. The C(1)-N(4) bond length is 1.34 Å. In the second C site, C(2) is bonded in a distorted water-like geometry to one C(3), one N(5), and one N(8) atom. The C(2)-C(3) bond length is 1.45 Å. The C(2)-N(5) bond length is 1.34 Å. The C(2)-N(8) bond length is 1.36 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(1), one C(2), and one N(9) atom. The C(3)-N(9) bond length is 1.32 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one Na(1), one C(1), and one N(2) atom. The N(1)-N(2) bond length is 1.33 Å. In the second N site, N(2) is bonded in a water-like geometry to one N(1) and one N(3) atom. The N(2)-N(3) bond length is 1.32 Å. In the third N site, N(3) is bonded in a distorted single-bond geometry to one N(2), one N(4), and one H(5) atom. The N(3)-N(4) bond length is 1.33 Å. The N(3)-H(5) bond length is 1.10 Å. In the fourth N site, N(4) is bonded in a distorted water-like geometry to one C(1) and one N(3) atom. In the fifth N site, N(5) is bonded in a distorted water-like geometry to one C(2) and one N(6) atom. The N(5)-N(6) bond length is 1.35 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Na(1), one N(5), and one N(7) atom. The N(6)-N(7) bond length is 1.31 Å. In the seventh N site, N(7) is bonded in a water-like geometry to one N(6) and one N(8) atom. The N(7)-N(8) bond length is 1.34 Å. In the eighth N site, N(8) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(7), and one H(6) atom. The N(8)-H(6) bond length is 1.04 Å. In the ninth N site, N(9) is bonded in a distorted trigonal planar geometry to one C(3), one H(2), and one O(3) atom. The N(9)-H(2) bond length is 1.75 Å. The N(9)-O(3) bond length is 1.32 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.97 Å. In the second H site, H(2) is bonded in a single-bond geometry to one N(9) and one O(1) atom. The H(2)-O(1) bond length is 1.00 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. The H(3)-O(2) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. The H(4)-O(2) bond length is 0.97 Å. In the fifth H site, H(5) is bonded in a linear geometry to one N(3) and one O(3) atom. The H(5)-O(3) bond length is 1.44 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(8) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(3), and one H(4) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one N(9) and one H(5) atom. Linkers: 1 [O]/N=C(/c1nn[nH]n1)c1nnn[nH]1 ,1 [O]/N=C(/C1=N[N]N[N]1)c1nnn[nH]1. Metal clusters: 2 [Na]. The MOF has largest included sphere 2.15 A, density 1.63 g/cm3, surface area 3979.63 m2/g, accessible volume 0.10 cm3/g