RbC3N3H4S3O crystallizes in the triclinic P-1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to two equivalent N(1), one S(3), two equivalent S(2), one O(2), and two equivalent O(1) atoms. There is one shorter (3.08 Å) and one longer (3.27 Å) Rb(1)-N(1) bond length. The Rb(1)-S(3) bond length is 3.32 Å. There is one shorter (3.41 Å) and one longer (3.42 Å) Rb(1)-S(2) bond length. The Rb(1)-O(2) bond length is 3.23 Å. There is one shorter (2.85 Å) and one longer (3.12 Å) Rb(1)-O(1) bond length. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one N(2), one S(2), one S(4), two equivalent S(1), one O(1), and two equivalent O(2) atoms. The Rb(2)-N(2) bond length is 3.15 Å. The Rb(2)-S(2) bond length is 3.51 Å. The Rb(2)-S(4) bond length is 3.34 Å. There is one shorter (3.50 Å) and one longer (3.55 Å) Rb(2)-S(1) bond length. The Rb(2)-O(1) bond length is 3.09 Å. There is one shorter (2.87 Å) and one longer (3.39 Å) Rb(2)-O(2) bond length. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one N(3), one N(5), and one S(1) atom. The C(1)-N(3) bond length is 1.36 Å. The C(1)-N(5) bond length is 1.36 Å. The C(1)-S(1) bond length is 1.68 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one N(2), one N(5), and one S(5) atom. The C(2)-N(2) bond length is 1.35 Å. The C(2)-N(5) bond length is 1.39 Å. The C(2)-S(5) bond length is 1.69 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one N(2), one N(3), and one S(4) atom. The C(3)-N(2) bond length is 1.35 Å. The C(3)-N(3) bond length is 1.38 Å. The C(3)-S(4) bond length is 1.69 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one N(1), one N(6), and one S(2) atom. The C(4)-N(1) bond length is 1.35 Å. The C(4)-N(6) bond length is 1.38 Å. The C(4)-S(2) bond length is 1.69 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one N(4), one N(6), and one S(3) atom. The C(5)-N(4) bond length is 1.37 Å. The C(5)-N(6) bond length is 1.36 Å. The C(5)-S(3) bond length is 1.66 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one N(1), one N(4), and one S(6) atom. The C(6)-N(1) bond length is 1.35 Å. The C(6)-N(4) bond length is 1.38 Å. The C(6)-S(6) bond length is 1.69 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Rb(1), one C(4), and one C(6) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one Rb(2), one C(2), and one C(3) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(1), one C(3), and one H(5) atom. The N(3)-H(5) bond length is 1.04 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(5), one C(6), and one H(6) atom. The N(4)-H(6) bond length is 1.04 Å. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(1), one C(2), and one H(7) atom. The N(5)-H(7) bond length is 1.04 Å. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(4), one C(5), and one H(8) atom. The N(6)-H(8) bond length is 1.05 Å. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.98 Å. 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 1.00 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. The H(3)-O(2) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) atom. The H(4)-O(2) bond length is 0.99 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one N(4) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(5) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one N(6) and one S(4) atom. The H(8)-S(4) bond length is 2.14 Å. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to two equivalent Rb(2) and one C(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to one Rb(2), two equivalent Rb(1), and one C(4) atom. In the third S site, S(3) is bonded in a bent 150 degrees geometry to one Rb(1) and one C(5) atom. In the fourth S site, S(4) is bonded in a distorted single-bond geometry to one Rb(2), one C(3), and one H(8) atom. In the fifth S site, S(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth S site, S(6) is bonded in a single-bond geometry to one C(6) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Rb(2), two equivalent Rb(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Rb(1), two equivalent Rb(2), one H(3), and one H(4) atom. Linkers: 4 S=C1[N]C(=S)NC(=S)N1. Metal clusters: 4 [Rb]. The MOF has largest included sphere 1.48 A, density 2.17 g/cm3, surface area 3411.78 m2/g, accessible volume 0.09 cm3/g