ZnC12H12(N2O3)3 crystallizes in the monoclinic C2/c space group. Zn(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent O(2), and two equivalent O(3) atoms. Both Zn(1)-N(1) bond lengths are 2.14 Å. Both Zn(1)-O(2) bond lengths are 2.10 Å. Both Zn(1)-O(3) bond lengths are 2.20 Å. There are six 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 1.39 Å. The C(1)-N(1) bond length is 1.35 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 1.40 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(6) bond length is 1.45 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) 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 N(1), and one H(4) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(4) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted water-like geometry to one C(3), one N(2), and one O(1) atom. The C(6)-N(2) bond length is 1.31 Å. The C(6)-O(1) bond length is 1.37 Å. There are three 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 single-bond geometry to one C(6) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. The N(3)-O(3) bond length is 1.28 Å. The N(3)-O(4) bond length is 1.24 Å. The N(3)-O(5) bond length is 1.28 Å. There are six 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(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 O(2) and one O(5) atom. The H(5)-O(2) bond length is 0.99 Å. The H(5)-O(5) bond length is 1.72 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(2) and one O(5) atom. The H(6)-O(2) bond length is 1.00 Å. The H(6)-O(5) bond length is 1.71 Å. There are five inequivalent O sites. In the first O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one N(3) atom. In the second O site, O(4) is bonded in a single-bond geometry to one N(3) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one N(3), one H(5), and one H(6) atom. In the fourth O site, O(1) is bonded in a water-like geometry to two equivalent C(6) atoms. In the fifth O site, O(2) is bonded in a distorted trigonal planar geometry to one Zn(1), one H(5), and one H(6) atom. Linkers: 2 c1cc(-c2nnc(-c3ccncc3)o2)ccn1. Metal clusters: 2 [Zn]. The MOF has largest included sphere 5.78 A, density 1.29 g/cm3, surface area 4461.59 m2/g, accessible volume 0.29 cm3/g