Zn2C33H21(NO)9 crystallizes in the orthorhombic Pnma space group. The structure consists of a Zn2C33H21(NO)9 framework. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to two equivalent N(3), one O(1), one O(5), and one O(6) atom. Both Zn(1)-N(3) bond lengths are 2.01 Å. The Zn(1)-O(1) bond length is 1.99 Å. The Zn(1)-O(5) bond length is 2.03 Å. The Zn(1)-O(6) bond length is 2.45 Å. In the second Zn site, Zn(2) is bonded in a distorted tetrahedral geometry to two equivalent N(5), one O(3), and one O(7) atom. Both Zn(2)-N(5) bond lengths are 2.00 Å. The Zn(2)-O(3) bond length is 2.01 Å. The Zn(2)-O(7) bond length is 2.05 Å. There are twenty-one inequivalent C sites. In the first C site, C(10) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(15) atom. The C(10)-C(10) bond length is 1.48 Å. The C(10)-C(11) bond length is 1.40 Å. The C(10)-C(15) bond length is 1.40 Å. In the second C site, C(11) is bonded in a distorted single-bond geometry to one C(10), one C(12), and one H(4) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-H(4) bond length is 1.09 Å. In the third C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one C(13), and one N(2) atom. The C(12)-C(13) bond length is 1.40 Å. The C(12)-N(2) bond length is 1.42 Å. In the fourth C site, C(13) is bonded in a distorted single-bond geometry to one C(12), one C(14), and one H(5) atom. The C(13)-C(14) bond length is 1.40 Å. The C(13)-H(5) bond length is 1.09 Å. In the fifth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one C(15), and one N(4) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-N(4) bond length is 1.42 Å. In the sixth C site, C(15) is bonded in a distorted single-bond geometry to one C(10), one C(14), and one H(6) atom. The C(15)-H(6) bond length is 1.09 Å. In the seventh C site, C(16) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(7) atom. The C(16)-N(2) bond length is 1.36 Å. The C(16)-N(3) bond length is 1.33 Å. The C(16)-H(7) bond length is 1.09 Å. In the eighth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(18), one N(3), and one H(8) atom. The C(17)-C(18) bond length is 1.37 Å. The C(17)-N(3) bond length is 1.38 Å. The C(17)-H(8) bond length is 1.08 Å. In the ninth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(17), one N(2), and one H(9) atom. The C(18)-N(2) bond length is 1.39 Å. The C(18)-H(9) bond length is 1.08 Å. In the tenth C site, C(19) is bonded in a trigonal planar geometry to one N(4), one N(5), and one H(10) atom. The C(19)-N(4) bond length is 1.36 Å. The C(19)-N(5) bond length is 1.33 Å. The C(19)-H(10) bond length is 1.08 Å. In the eleventh C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(21), one N(5), and one H(11) atom. The C(20)-C(21) bond length is 1.37 Å. The C(20)-N(5) bond length is 1.38 Å. The C(20)-H(11) bond length is 1.08 Å. In the twelfth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(20), one N(4), and one H(12) atom. The C(21)-N(4) bond length is 1.39 Å. The C(21)-H(12) bond length is 1.08 Å. In the thirteenth C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(7) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-C(6) bond length is 1.40 Å. The C(1)-C(7) bond length is 1.50 Å. In the fourteenth C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-H(1) bond length is 1.09 Å. In the fifteenth C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(8) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(8) bond length is 1.50 Å. In the sixteenth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(2) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(2) bond length is 1.09 Å. In the seventeenth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(9) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-C(9) bond length is 1.49 Å. In the eighteenth C site, C(6) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(3) atom. The C(6)-H(3) bond length is 1.09 Å. In the nineteenth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(7)-O(1) bond length is 1.30 Å. The C(7)-O(2) bond length is 1.25 Å. In the twentieth C site, C(8) is bonded in a bent 120 degrees geometry to one C(3), one O(3), and one O(4) atom. The C(8)-O(3) bond length is 1.31 Å. The C(8)-O(4) bond length is 1.25 Å. In the twenty-first C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(5), and one O(6) atom. The C(9)-O(5) bond length is 1.29 Å. The C(9)-O(6) bond length is 1.26 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. The N(1)-O(7) bond length is 1.33 Å. The N(1)-O(8) bond length is 1.25 Å. The N(1)-O(9) bond length is 1.24 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(12), one C(16), and one C(18) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(1), one C(16), and one C(17) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(14), one C(19), and one C(21) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Zn(2), one C(19), and one C(20) atom. There are twelve 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(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(15) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(16) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(17) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(18) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(19) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(20) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(21) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(7) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(7) atom. In the third O site, O(3) is bonded in a water-like geometry to one Zn(2) and one C(8) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(8) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Zn(1) and one C(9) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Zn(1) and one C(9) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Zn(2) and one N(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one N(1) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one N(1) atom. Linkers: 4 c1cn(-c2cc(-c3cc(-n4ccnc4)cc(-n4ccnc4)c3)cc(-n3ccnc3)c2)cn1 ,4 [O]C(=O)c1cc(C([O])=O)cc(C([O])=O)c1. Metal clusters: 4 O=[C]O[Zn]O[C]=O ,4 O=[C]O[Zn]O[N+](=O)[O-]. The MOF has largest included sphere 4.60 A, density 1.38 g/cm3, surface area 4318.88 m2/g, accessible volume 0.24 cm3/g