BaC6N4H6O5(CH)2 crystallizes in the monoclinic Cm space group. The structure consists of four 02329_fluka molecules inside a BaC6N4H6O5 framework. In the BaC6N4H6O5 framework, Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Both Ba(1)-O(2) bond lengths are 2.88 Å. There is one shorter (2.79 Å) and one longer (2.87 Å) Ba(1)-O(3) bond length. There are two shorter (2.79 Å) and two longer (2.83 Å) Ba(1)-O(1) bond lengths. There are three 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 O(1) atom. The C(1)-N(1) bond length is 1.38 Å. The C(1)-O(1) bond length is 1.27 Å. In the second C site, C(3) is bonded in a distorted bent 120 degrees geometry to one N(2) and one O(2) atom. The C(3)-N(2) bond length is 1.39 Å. The C(3)-O(2) bond length is 1.27 Å. In the third C site, C(4) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(4) atom. The C(4)-N(1) bond length is 1.33 Å. The C(4)-N(2) bond length is 1.30 Å. The C(4)-H(4) bond length is 0.93 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one C(4), and one H(2) atom. The N(1)-H(2) bond length is 0.86 Å. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(3) and one C(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(3) atom. The H(1)-O(3) bond length is 0.85 Å. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(4) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Ba(1) and one C(3) atom. In the third O site, O(3) is bonded in a water-like geometry to two equivalent Ba(1) and two equivalent H(1) atoms. Linkers: 4 O=C1[CH]C(=O)NC=N1. Metal clusters: 2 [Ba]. RCSR code: sql. The MOF has largest included sphere 3.89 A, density 1.95 g/cm3, surface area 3250.70 m2/g, accessible volume 0.16 cm3/g