BaC2N10H6O3 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 11-coordinate geometry to two equivalent N(1), two equivalent N(4), two equivalent N(5), one O(1), and four equivalent O(2) atoms. Both Ba(1)-N(1) bond lengths are 3.38 Å. Both Ba(1)-N(4) bond lengths are 3.15 Å. Both Ba(1)-N(5) bond lengths are 2.96 Å. The Ba(1)-O(1) bond length is 2.87 Å. There are two shorter (2.82 Å) and two longer (2.83 Å) Ba(1)-O(2) bond lengths. C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(5) atom. The C(1)-N(1) bond length is 1.39 Å. The C(1)-N(2) bond length is 1.35 Å. The C(1)-N(5) bond length is 1.35 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one C(1), and one N(1) atom. The N(1)-N(1) bond length is 1.27 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one C(1), one N(3), and one H(3) atom. The N(2)-N(3) bond length is 1.33 Å. The N(2)-H(3) bond length is 1.62 Å. In the third N site, N(3) is bonded in a water-like geometry to one N(2) 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 distorted trigonal planar geometry to one Ba(1), one N(3), and one N(5) atom. The N(4)-N(5) bond length is 1.34 Å. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Ba(1), one C(1), and one N(4) atom. There are three 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 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. The H(2)-O(2) bond length is 0.97 Å. In the third H site, H(3) is bonded in a distorted linear geometry to one N(2) and one O(2) atom. The H(3)-O(2) bond length is 1.02 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Ba(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a water-like geometry to two equivalent Ba(1), one H(2), and one H(3) atom. Linkers: 2 N1=NN=[C](=N1)[N][N][C]1=NN=NN=1. Metal clusters: 2 [Ba]. The MOF has largest included sphere 2.03 A, density 2.25 g/cm3, surface area 3078.90 m2/g, accessible volume 0.08 cm3/g