BaC9NH11O6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one H(9), one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. The Ba(1)-H(9) bond length is 3.06 Å. The Ba(1)-O(2) bond length is 2.76 Å. The Ba(1)-O(3) bond length is 2.70 Å. The Ba(1)-O(4) bond length is 2.86 Å. The Ba(1)-O(5) bond length is 2.77 Å. There is one shorter (2.79 Å) and one longer (2.85 Å) Ba(1)-O(1) bond length. There is one shorter (2.82 Å) and one longer (2.90 Å) Ba(1)-O(6) bond length. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(1), and one O(6) atom. The C(1)-C(4) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(6) bond length is 1.27 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(4), one C(5), and one H(5) atom. The C(2)-C(4) bond length is 1.39 Å. The C(2)-C(5) bond length is 1.39 Å. The C(2)-H(5) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(2), and one O(5) atom. The C(3)-C(5) bond length is 1.50 Å. The C(3)-O(2) bond length is 1.27 Å. The C(3)-O(5) bond length is 1.27 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(6) atom. The C(4)-C(6) bond length is 1.41 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(7) atom. The C(5)-C(7) bond length is 1.41 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(4), one C(8), and one N(1) atom. The C(6)-C(8) bond length is 1.50 Å. The C(6)-N(1) bond length is 1.35 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(5), one C(9), and one N(1) atom. The C(7)-C(9) bond length is 1.50 Å. The C(7)-N(1) bond length is 1.35 Å. In the eighth C site, C(8) is bonded in a distorted trigonal non-coplanar geometry to one C(6), one H(6), one H(7), and one H(8) atom. The C(8)-H(6) bond length is 1.09 Å. The C(8)-H(7) bond length is 1.10 Å. The C(8)-H(8) bond length is 1.10 Å. In the ninth C site, C(9) is bonded in a trigonal non-coplanar geometry to one C(7), one H(10), one H(11), and one H(9) atom. The C(9)-H(10) bond length is 1.10 Å. The C(9)-H(11) bond length is 1.10 Å. The C(9)-H(9) bond length is 1.09 Å. N(1) is bonded in a distorted trigonal planar geometry to one C(6), one C(7), and one H(4) atom. The N(1)-H(4) bond length is 1.75 Å. There are eleven 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 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. The H(2)-O(3) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) atom. The H(3)-O(4) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(1) and one O(4) atom. The H(4)-O(4) bond length is 1.01 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(8) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(8) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one Ba(1) and one C(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(9) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(9) atom. There are six 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 distorted single-bond geometry to one Ba(1) and one C(3) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Ba(1), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Ba(1), one H(3), and one H(4) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1) and one C(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one C(1) atom. Linkers: 2 Cc1nc(C)c(C([O])=O)cc1C([O])=O. Metal clusters: 2 [Ba]. The MOF has largest included sphere 1.55 A, density 2.19 g/cm3, surface area 3343.72 m2/g, accessible volume 0.11 cm3/g