Ba3C20H8(NO4)3CH crystallizes in the monoclinic C2/c space group. The structure consists of four 02329_fluka molecules inside a Ba3C20H8(NO4)3 framework. In the Ba3C20H8(NO4)3 framework, there are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to one N(1), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. The Ba(1)-N(1) bond length is 2.95 Å. Both Ba(1)-O(1) bond lengths are 2.81 Å. Both Ba(1)-O(2) bond lengths are 2.73 Å. Both Ba(1)-O(3) bond lengths are 2.73 Å. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one N(2), one H(5), one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. The Ba(2)-N(2) bond length is 2.84 Å. The Ba(2)-H(5) bond length is 3.00 Å. The Ba(2)-O(1) bond length is 2.76 Å. The Ba(2)-O(2) bond length is 3.20 Å. The Ba(2)-O(3) bond length is 2.74 Å. The Ba(2)-O(4) bond length is 2.73 Å. The Ba(2)-O(5) bond length is 2.84 Å. There is one shorter (2.80 Å) and one longer (2.82 Å) Ba(2)-O(6) bond length. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(1), and one O(2) atom. The C(1)-C(7) bond length is 1.51 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(2) bond length is 1.27 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one N(1) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(5) bond length is 1.51 Å. The C(2)-N(1) bond length is 1.34 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(1) atom. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(3), and one O(5) atom. The C(5)-O(3) bond length is 1.29 Å. The C(5)-O(5) bond length is 1.26 Å. In the fifth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(4), and one O(6) atom. The C(6)-C(11) bond length is 1.52 Å. The C(6)-O(4) bond length is 1.27 Å. The C(6)-O(6) bond length is 1.28 Å. In the sixth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(1), one C(8), and one N(2) atom. The C(7)-C(8) bond length is 1.40 Å. The C(7)-N(2) bond length is 1.34 Å. In the seventh C site, C(8) is bonded in a distorted single-bond geometry to one C(7), one C(9), and one H(3) atom. The C(8)-C(9) bond length is 1.39 Å. The C(8)-H(3) bond length is 1.09 Å. In the eighth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one H(4) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-H(4) bond length is 1.09 Å. In the ninth C site, C(10) is bonded in a distorted single-bond geometry to one C(11), one C(9), and one H(5) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-H(5) bond length is 1.08 Å. In the tenth C site, C(11) is bonded in a distorted trigonal planar geometry to one C(10), one C(6), and one N(2) atom. The C(11)-N(2) bond length is 1.34 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Ba(1) and two equivalent C(2) atoms. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one C(11), and one C(7) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(8) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one Ba(2) and one C(10) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one C(5) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(2) and one C(6) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ba(2) and one C(5) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one C(6) atom. Linkers: 6 [O]C(=O)c1cccc(C([O])=O)n1. Metal clusters: 6 [Ba]. The MOF has largest included sphere 1.73 A, density 2.53 g/cm3, surface area 2657.80 m2/g, accessible volume 0.07 cm3/g