ZnC12N6H9OCl crystallizes in the orthorhombic Pna2_1 space group. Zn(1) is bonded in a tetrahedral geometry to one N(3), one N(4), one N(5), and one Cl(1) atom. The Zn(1)-N(3) bond length is 2.02 Å. The Zn(1)-N(4) bond length is 2.07 Å. The Zn(1)-N(5) bond length is 2.00 Å. The Zn(1)-Cl(1) bond length is 2.24 Å. There are twelve inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(12), one C(2), and one N(6) atom. The C(1)-C(12) bond length is 1.50 Å. The C(1)-C(2) bond length is 1.40 Å. The C(1)-N(6) bond length is 1.36 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(11), and one C(9) atom. The C(2)-C(11) bond length is 1.47 Å. The C(2)-C(9) bond length is 1.42 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(5), one N(5), and one H(2) atom. The C(3)-C(5) bond length is 1.38 Å. The C(3)-N(5) bond length is 1.35 Å. The C(3)-H(2) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(11) and one H(3) atom. The C(4)-C(11) bond length is 1.40 Å. The C(4)-H(3) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(11), one C(3), and one H(4) atom. The C(5)-C(11) bond length is 1.41 Å. The C(5)-H(4) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(6), and one O(1) atom. The C(6)-C(8) bond length is 1.45 Å. The C(6)-N(6) bond length is 1.40 Å. The C(6)-O(1) bond length is 1.24 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(5) atom. The C(7)-N(5) bond length is 1.35 Å. The C(7)-H(5) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(10), one C(6), and one C(9) atom. The C(8)-C(10) bond length is 1.45 Å. The C(8)-C(9) bond length is 1.38 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(2), one C(8), and one H(6) atom. 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(8), one N(3), and one N(4) atom. The C(10)-N(3) bond length is 1.34 Å. The C(10)-N(4) bond length is 1.35 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(5) atom. In the twelfth C site, C(12) is bonded in a distorted trigonal non-coplanar geometry to one C(1), one H(7), one H(8), and one H(9) atom. The C(12)-H(7) bond length is 1.10 Å. The C(12)-H(8) bond length is 1.10 Å. The C(12)-H(9) bond length is 1.10 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a water-like geometry to one N(2) and one N(4) atom. The N(1)-N(2) bond length is 1.30 Å. The N(1)-N(4) bond length is 1.35 Å. In the second N site, N(2) is bonded in a water-like geometry to one N(1) and one N(3) atom. The N(2)-N(3) bond length is 1.35 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(10), and one N(2) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(10), and one N(1) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Zn(1), one C(3), and one C(7) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(1), one C(6), and one H(1) atom. The N(6)-H(1) bond length is 1.03 Å. There are nine inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(7) 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(12) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(12) atom. O(1) is bonded in a single-bond geometry to one C(6) atom. Cl(1) is bonded in a single-bond geometry to one Zn(1) atom. Linkers: 4 Cc1[nH]c(=O)c(C2=NN=N[N]2)cc1-c1ccncc1. Metal clusters: 4 Cl[Zn]. The MOF has largest included sphere 2.16 A, density 1.73 g/cm3, surface area 4275.08 m2/g, accessible volume 0.16 cm3/g