ZnC12N4H10SO5 crystallizes in the monoclinic P2_1/c space group. Zn(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(4), one O(1), one O(2), and one O(3) atom. The Zn(1)-N(1) bond length is 2.11 Å. The Zn(1)-N(2) bond length is 2.09 Å. The Zn(1)-N(4) bond length is 2.02 Å. The Zn(1)-O(1) bond length is 2.28 Å. The Zn(1)-O(2) bond length is 2.42 Å. The Zn(1)-O(3) bond length is 2.05 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one H(2) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(3) atom. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(5) and one H(4) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one N(1) atom. The C(5)-C(6) bond length is 1.47 Å. The C(5)-N(1) bond length is 1.36 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(2), and one H(5) atom. The C(6)-N(2) bond length is 1.29 Å. The C(6)-H(5) bond length is 1.10 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(3), and one O(1) atom. The C(7)-C(8) bond length is 1.49 Å. The C(7)-N(3) bond length is 1.37 Å. The C(7)-O(1) bond length is 1.25 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(12), one C(7), and one C(9) atom. The C(8)-C(12) bond length is 1.40 Å. The C(8)-C(9) bond length is 1.40 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(8), and one H(6) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-H(6) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(9), one N(4), and one H(7) atom. The C(10)-N(4) bond length is 1.34 Å. The C(10)-H(7) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(8) atom. The C(11)-N(4) bond length is 1.35 Å. The C(11)-H(8) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(8) and one H(9) atom. The C(12)-H(9) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(6), and one N(3) atom. The N(2)-N(3) bond length is 1.34 Å. In the third N site, N(3) is bonded in a 3-coordinate geometry to one C(7), one N(2), and one H(10) atom. The N(3)-H(10) bond length is 1.08 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Zn(1), one C(10), and one C(11) atom. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(12) atom. In the tenth H site, H(10) is bonded in a linear geometry to one N(3) and one O(5) atom. The H(10)-O(5) bond length is 1.54 Å. S(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. The S(1)-O(2) bond length is 1.49 Å. The S(1)-O(3) bond length is 1.53 Å. The S(1)-O(4) bond length is 1.47 Å. The S(1)-O(5) bond length is 1.51 Å. There are five inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one H(10) and one S(1) atom. In the second O site, O(1) is bonded in a distorted water-like geometry to one Zn(1) and one C(7) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Zn(1) and one S(1) atom. In the fourth O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one S(1) atom. In the fifth O site, O(4) is bonded in a single-bond geometry to one S(1) atom. Linkers: 4 O=C(N/N=C/c1ccccn1)c1ccncc1. Metal clusters: 4 [Zn]. The MOF has largest included sphere 3.84 A, density 1.58 g/cm3, surface area 3867.62 m2/g, accessible volume 0.23 cm3/g