Zn3C18H12(N5O4)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in an octahedral geometry to one N(3), one N(4), one N(5), one N(6), one O(5), and one O(6) atom. The Zn(1)-N(3) bond length is 2.12 Å. The Zn(1)-N(4) bond length is 2.12 Å. The Zn(1)-N(5) bond length is 2.21 Å. The Zn(1)-N(6) bond length is 2.21 Å. The Zn(1)-O(5) bond length is 2.15 Å. The Zn(1)-O(6) bond length is 2.15 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(1,2); one N(9); one O(4); and one O(7) atom. The Zn(2)-N(1,2) bond length is 2.06 Å. The Zn(2)-N(9) bond length is 2.02 Å. The Zn(2)-O(4) bond length is 1.95 Å. The Zn(2)-O(7) bond length is 1.99 Å. In the third Zn site, Zn(3) is bonded in a tetrahedral geometry to one N(1,2); one N(10); one O(3); and one O(8) atom. The Zn(3)-N(1,2) bond length is 2.06 Å. The Zn(3)-N(10) bond length is 2.02 Å. The Zn(3)-O(3) bond length is 1.95 Å. The Zn(3)-O(8) bond length is 1.99 Å. There are fourteen inequivalent C sites. In the first C site, C(1,2) is bonded in a distorted single-bond geometry to one C(7); one C(9,10); and one H(1,2) atom. The C(1,2)-C(7) bond length is 1.39 Å. The C(1,2)-C(9,10) bond length is 1.40 Å. The C(1,2)-H(1,2) bond length is 1.09 Å. In the second C site, C(3,4) is bonded in a distorted single-bond geometry to one C(5); one C(9,10); and one H(3,4) atom. The C(3,4)-C(5) bond length is 1.39 Å. The C(3,4)-C(9,10) bond length is 1.40 Å. The C(3,4)-H(3,4) bond length is 1.09 Å. In the third C site, C(5) is bonded in a distorted trigonal planar geometry to one C(3,4); one N(1,2); and one H(5,6) atom. The C(5)-N(1,2) bond length is 1.35 Å. The C(5)-H(5,6) bond length is 1.09 Å. In the fourth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(3,4); one N(1,2); and one H(5,6) atom. The C(6)-C(3,4) bond length is 1.39 Å. The C(6)-N(1,2) bond length is 1.35 Å. The C(6)-H(5,6) bond length is 1.09 Å. In the fifth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(1,2); one N(1,2); and one H(7,8) atom. The C(7)-N(1,2) bond length is 1.35 Å. The C(7)-H(7,8) bond length is 1.09 Å. In the sixth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(1,2); one N(1,2); and one H(7,8) atom. The C(8)-C(1,2) bond length is 1.39 Å. The C(8)-N(1,2) bond length is 1.35 Å. The C(8)-H(7,8) bond length is 1.09 Å. In the seventh C site, C(9,10) is bonded in a trigonal planar geometry to one C(1,2); one C(11); and one C(3,4) atom. The C(9,10)-C(11) bond length is 1.51 Å. In the eighth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(9,10); one O(1,2); and one O(3) atom. The C(11)-O(1,2) bond length is 1.24 Å. The C(11)-O(3) bond length is 1.31 Å. In the ninth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(9,10); one O(1,2); and one O(4) atom. The C(12)-C(9,10) bond length is 1.51 Å. The C(12)-O(1,2) bond length is 1.24 Å. The C(12)-O(4) bond length is 1.31 Å. In the tenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(15,16); one N(3); and one N(9) atom. The C(13)-C(15,16) bond length is 1.49 Å. The C(13)-N(3) bond length is 1.34 Å. The C(13)-N(9) bond length is 1.35 Å. In the eleventh C site, C(14) is bonded in a distorted trigonal planar geometry to one C(15,16); one N(10); and one N(4) atom. The C(14)-C(15,16) bond length is 1.49 Å. The C(14)-N(10) bond length is 1.35 Å. The C(14)-N(4) bond length is 1.34 Å. In the twelfth C site, C(15,16) is bonded in a distorted water-like geometry to one C(13); one H(11,12); and one H(9,10) atom. The C(15,16)-H(11,12) bond length is 1.09 Å. The C(15,16)-H(9,10) bond length is 1.10 Å. In the thirteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(7) atom. The C(17)-O(5) bond length is 1.26 Å. The C(17)-O(7) bond length is 1.28 Å. In the fourteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one O(6) and one O(8) atom. The C(18)-O(6) bond length is 1.26 Å. The C(18)-O(8) bond length is 1.28 Å. There are nine inequivalent N sites. In the first N site, N(1,2) is bonded in a trigonal planar geometry to one Zn(2), one C(5), and one C(7) atom. In the second N site, N(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(13), and one N(5) atom. The N(3)-N(5) bond length is 1.35 Å. In the third N site, N(4) is bonded in a distorted trigonal planar geometry to one Zn(1), one C(14), and one N(6) atom. The N(4)-N(6) bond length is 1.35 Å. In the fourth N site, N(5) is bonded in a trigonal planar geometry to one Zn(1), one N(3), and one N(7) atom. The N(5)-N(7) bond length is 1.30 Å. In the fifth N site, N(6) is bonded in a trigonal planar geometry to one Zn(1), one N(4), and one N(8) atom. The N(6)-N(8) bond length is 1.30 Å. In the sixth N site, N(7) is bonded in a water-like geometry to one N(5) and one N(9) atom. The N(7)-N(9) bond length is 1.35 Å. In the seventh N site, N(8) is bonded in a water-like geometry to one N(10) and one N(6) atom. The N(8)-N(10) bond length is 1.35 Å. In the eighth N site, N(9) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(13), and one N(7) atom. In the ninth N site, N(10) is bonded in a distorted trigonal planar geometry to one Zn(3), one C(14), and one N(8) atom. There are six inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(1,2) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(3,4) atom. In the third H site, H(5,6) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(7,8) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(9,10) is bonded in a single-bond geometry to one C(15,16) atom. In the sixth H site, H(11,12) is bonded in a single-bond geometry to one C(15,16) atom. There are seven inequivalent O sites. In the first O site, O(1,2) is bonded in a single-bond geometry to one C(11) atom. In the second O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(11) atom. In the third O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(12) atom. In the fourth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(17) atom. In the fifth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(18) atom. In the sixth O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(17) atom. In the seventh O site, O(8) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(18) atom. Linkers: 4 [O]C(=O)CC1=NN=N[N]1 ,4 [O]C(=O)c1ccncc1. Metal clusters: 6 [Zn]. The MOF has largest included sphere 4.44 A, density 1.83 g/cm3, surface area 3562.28 m2/g, accessible volume 0.14 cm3/g