ZnC8H16S2(N3O)2 crystallizes in the monoclinic C2/c space group. Zn(1) is bonded to two equivalent N(1), two equivalent N(3), and two equivalent O(1) atoms to form ZnN4O2 octahedra that share corners with two equivalent C(2)H2N2 tetrahedra, corners with two equivalent C(3)H2N2 tetrahedra, and corners with two equivalent C(4)H2N2 tetrahedra. Both Zn(1)-N(1) bond lengths are 2.03 Å. Both Zn(1)-N(3) bond lengths are 2.37 Å. Both Zn(1)-O(1) bond lengths are 2.16 Å. There are five inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. The C(1)-N(1) bond length is 1.19 Å. The C(1)-S(1) bond length is 1.61 Å. In the second C site, C(2) is bonded to two equivalent N(3) and two equivalent H(1) atoms to form CH2N2 tetrahedra that share corners with two equivalent Zn(1)N4O2 octahedra, corners with two equivalent C(3)H2N2 tetrahedra, and corners with two equivalent C(4)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 72°. Both C(2)-N(3) bond lengths are 1.48 Å. Both C(2)-H(1) bond lengths are 1.09 Å. In the third C site, C(3) is bonded to one N(2), one N(3), one H(5), and one H(6) atom to form CH2N2 tetrahedra that share  a cornercorner with one Zn(1)N4O2 octahedra,  a cornercorner with one C(2)H2N2 tetrahedra,  a cornercorner with one C(5)H2N2 tetrahedra, and corners with two equivalent C(4)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 72°. The C(3)-N(2) bond length is 1.48 Å. The C(3)-N(3) bond length is 1.48 Å. The C(3)-H(5) bond length is 1.10 Å. The C(3)-H(6) bond length is 1.10 Å. In the fourth C site, C(4) is bonded to one N(2), one N(3), one H(7), and one H(8) atom to form CH2N2 tetrahedra that share  a cornercorner with one Zn(1)N4O2 octahedra,  a cornercorner with one C(2)H2N2 tetrahedra,  a cornercorner with one C(5)H2N2 tetrahedra, and corners with two equivalent C(3)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 64°. The C(4)-N(2) bond length is 1.48 Å. The C(4)-N(3) bond length is 1.48 Å. The C(4)-H(7) bond length is 1.10 Å. The C(4)-H(8) bond length is 1.10 Å. In the fifth C site, C(5) is bonded to two equivalent N(2) and two equivalent H(2) atoms to form corner-sharing CH2N2 tetrahedra. Both C(5)-N(2) bond lengths are 1.48 Å. Both C(5)-H(2) bond lengths are 1.10 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one Zn(1) and one C(1) atom. In the second N site, N(2) is bonded to one C(3), one C(4), one C(5), and one H(4) atom to form distorted NHC3 tetrahedra that share  a cornercorner with one N(2)HC3 tetrahedra and corners with two equivalent N(3)ZnC3 tetrahedra. The N(2)-H(4) bond length is 1.75 Å. In the third N site, N(3) is bonded to one Zn(1), one C(2), one C(3), and one C(4) atom to form NZnC3 tetrahedra that share corners with two equivalent N(2)HC3 tetrahedra and corners with two equivalent N(3)ZnC3 tetrahedra. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) atom. The H(3)-O(1) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(2) and one O(1) atom. The H(4)-O(1) bond length is 1.01 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(4) atom. S(1) is bonded in a single-bond geometry to one C(1) atom. O(1) is bonded in a distorted water-like geometry to one Zn(1), one H(3), and one H(4) atom. Linkers: 2 C1N2CN3CN1CN(C2)C3. Metal clusters: 2 [Zn]. The MOF has largest included sphere 1.98 A, density 1.76 g/cm3, surface area 4121.73 m2/g, accessible volume 0.10 cm3/g