BaC14H18(N3O2)4 is Indium-like structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of two BaC14H18(N3O2)4 clusters. Ba(1) is bonded in a 10-coordinate geometry to two equivalent N(3), two equivalent N(6), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Ba(1)-N(3) bond lengths are 3.12 Å. Both Ba(1)-N(6) bond lengths are 2.99 Å. Both Ba(1)-O(2) bond lengths are 3.02 Å. Both Ba(1)-O(3) bond lengths are 2.81 Å. Both Ba(1)-O(4) bond lengths are 2.83 Å. There are seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted water-like geometry to one C(5), one N(1), and one N(6) atom. The C(1)-C(5) bond length is 1.47 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-N(6) bond length is 1.36 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(4) atom. The C(2)-O(1) bond length is 1.26 Å. The C(2)-O(4) bond length is 1.27 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(4), one N(4), and one H(5) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-N(4) bond length is 1.34 Å. The C(3)-H(5) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(6), and one H(6) atom. The C(4)-C(6) bond length is 1.39 Å. The C(4)-H(6) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(1), one N(3), and one N(4) atom. The C(5)-N(3) bond length is 1.34 Å. The C(5)-N(4) bond length is 1.35 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(4), one N(3), and one H(7) atom. The C(6)-N(3) bond length is 1.34 Å. The C(6)-H(7) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted trigonal non-coplanar geometry to one N(2) and two equivalent H(8,9) atoms. The C(7)-N(2) bond length is 1.45 Å. Both C(7)-H(8,9) bond lengths are 1.10 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted water-like geometry to 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 distorted trigonal planar geometry to one C(7), one N(1), and one N(5) atom. The N(2)-N(5) bond length is 1.34 Å. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one Ba(1), one C(5), and one C(6) atom. In the fourth N site, N(4) is bonded in a bent 120 degrees geometry to one C(3) and one C(5) atom. In the fifth N site, N(5) is bonded in a water-like geometry to one N(2) and one N(6) atom. The N(5)-N(6) bond length is 1.32 Å. In the sixth N site, N(6) is bonded in a distorted single-bond geometry to one Ba(1), one C(1), and one N(5) atom. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. The H(1)-O(2) bond length is 0.99 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 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. The H(3)-O(3) bond length is 0.99 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 1.00 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(6) atom. In the eighth H site, H(8,9) is bonded in a single-bond geometry to one C(7) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(2) atom. In the second O site, O(2) is bonded in a water-like geometry to one Ba(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a water-like geometry to one Ba(1), one H(3), and one H(4) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Ba(1) and one C(2) atom. Linkers: 1 [O]C(=O)CN1[N]N=C(c2ncccn2)[N]1 ,1 [O]C(=O)Cn1nnc(-c2ncccn2)n1. Metal clusters: 2 O.O.O.O.[Ba].[O][C]=O.[O][C]=O. The MOF has largest included sphere 2.96 A, density 1.80 g/cm3, surface area 3734.79 m2/g, accessible volume 0.12 cm3/g