BaC3H7S3(NO)3 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 10-coordinate geometry to one N(3), one H(4), one S(1), two equivalent S(3), one O(2), two equivalent O(1), and two equivalent O(3) atoms. The Ba(1)-N(3) bond length is 3.03 Å. The Ba(1)-H(4) bond length is 2.93 Å. The Ba(1)-S(1) bond length is 3.35 Å. There is one shorter (3.30 Å) and one longer (3.38 Å) Ba(1)-S(3) bond length. The Ba(1)-O(2) bond length is 2.79 Å. There is one shorter (2.81 Å) and one longer (2.84 Å) Ba(1)-O(1) bond length. There is one shorter (2.87 Å) and one longer (2.96 Å) Ba(1)-O(3) bond length. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one N(2), one N(3), and one S(1) atom. The C(1)-N(2) bond length is 1.37 Å. The C(1)-N(3) bond length is 1.34 Å. The C(1)-S(1) bond length is 1.71 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one N(1), one N(3), and one S(2) atom. The C(2)-N(1) bond length is 1.37 Å. The C(2)-N(3) bond length is 1.37 Å. The C(2)-S(2) bond length is 1.69 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one S(3) atom. The C(3)-N(1) bond length is 1.33 Å. The C(3)-N(2) bond length is 1.37 Å. The C(3)-S(3) bond length is 1.70 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one C(3), and one H(4) atom. The N(1)-H(4) bond length is 1.76 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one H(1) atom. The N(2)-H(1) bond length is 1.04 Å. In the third N site, N(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one C(1), and one C(2) atom. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. The H(2)-O(1) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one S(2) and one O(1) atom. The H(3)-S(2) bond length is 2.03 Å. The H(3)-O(1) bond length is 1.02 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one Ba(1), one N(1), and one O(2) atom. The H(4)-O(2) bond length is 1.01 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(2) atom. The H(5)-O(2) bond length is 0.99 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(3) atom. The H(6)-O(3) bond length is 0.99 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(3) atom. The H(7)-O(3) bond length is 1.00 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one Ba(1) and one C(1) atom. In the second S site, S(2) is bonded in a water-like geometry to one C(2) and one H(3) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one C(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent Ba(1), one H(2), and one H(3) atom. In the second O site, O(2) is bonded in a water-like geometry to one Ba(1), one H(4), and one H(5) atom. In the third O site, O(3) is bonded in a water-like geometry to two equivalent Ba(1), one H(6), and one H(7) atom. Linkers: 4 S=C1[N]C(=S)NC(=S)[N]1. Metal clusters: 4 [Ba]. The MOF has largest included sphere 1.48 A, density 2.49 g/cm3, surface area 2951.13 m2/g, accessible volume 0.04 cm3/g