Zn3C54H36(N4O3)4 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four Zn3C54H36(N4O3)4 clusters. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one N(1), one O(1), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing ZnNO4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 77°. The Zn(1)-N(1) bond length is 2.07 Å. The Zn(1)-O(1) bond length is 2.00 Å. The Zn(1)-O(3) bond length is 2.09 Å. The Zn(1)-O(4) bond length is 2.33 Å. The Zn(1)-O(5) bond length is 1.95 Å. In the second Zn site, Zn(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing ZnO6 octahedra. Both Zn(2)-O(2) bond lengths are 2.08 Å. Both Zn(2)-O(4) bond lengths are 2.12 Å. Both Zn(2)-O(6) bond lengths are 2.06 Å. There are twenty-seven inequivalent C sites. In the first C site, C(26) is bonded in a distorted single-bond geometry to one C(25) and one H(17) atom. The C(26)-C(25) bond length is 1.40 Å. The C(26)-H(17) bond length is 1.09 Å. In the second C site, C(27) is bonded in a distorted single-bond geometry to one C(25) and one H(18) atom. The C(27)-C(25) bond length is 1.40 Å. The C(27)-H(18) bond length is 1.09 Å. In the third C site, C(1) is bonded in a distorted trigonal planar 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 fourth C site, C(2) is bonded in a distorted single-bond 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 fifth 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 1.46 Å. In the sixth 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 seventh 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 eighth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(2), and one N(3) atom. The C(6)-N(2) bond length is 1.36 Å. The C(6)-N(3) bond length is 1.34 Å. In the ninth C site, C(7) is bonded in a distorted water-like geometry to one C(8), one N(2), and one N(4) atom. The C(7)-C(8) bond length is 1.46 Å. The C(7)-N(2) bond length is 1.33 Å. The C(7)-N(4) bond length is 1.38 Å. In the tenth 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 eleventh C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(8), and one H(5) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-H(5) bond length is 1.09 Å. In the twelfth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(9), one N(5), and one H(6) atom. The C(10)-N(5) bond length is 1.34 Å. The C(10)-H(6) bond length is 1.09 Å. In the thirteenth C site, C(11) is bonded in a distorted trigonal planar geometry to one C(12), one N(5), and one H(7) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-N(5) bond length is 1.34 Å. The C(11)-H(7) bond length is 1.09 Å. In the fourteenth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(8), and one H(8) atom. The C(12)-H(8) bond length is 1.09 Å. In the fifteenth C site, C(13) is bonded in a tetrahedral geometry to one N(4), one N(6), one H(10), and one H(9) atom. The C(13)-N(4) bond length is 1.45 Å. The C(13)-N(6) bond length is 1.45 Å. The C(13)-H(10) bond length is 1.09 Å. The C(13)-H(9) bond length is 1.10 Å. In the sixteenth C site, C(14) is bonded in a trigonal planar geometry to one N(6), one N(8), and one H(11) atom. The C(14)-N(6) bond length is 1.36 Å. The C(14)-N(8) bond length is 1.33 Å. The C(14)-H(11) bond length is 1.09 Å. In the seventeenth C site, C(15) is bonded in a trigonal planar geometry to one N(7), one N(8), and one H(12) atom. The C(15)-N(7) bond length is 1.33 Å. The C(15)-N(8) bond length is 1.37 Å. The C(15)-H(12) bond length is 1.09 Å. In the eighteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(17), one O(1), and one O(2) atom. The C(16)-C(17) bond length is 1.49 Å. The C(16)-O(1) bond length is 1.29 Å. The C(16)-O(2) bond length is 1.26 Å. In the nineteenth C site, C(17) is bonded in a trigonal planar geometry to one C(16), one C(18), and one C(22) atom. The C(17)-C(18) bond length is 1.41 Å. The C(17)-C(22) bond length is 1.40 Å. In the twentieth C site, C(18) is bonded in a distorted single-bond geometry to one C(17) and one H(13) atom. The C(18)-H(13) bond length is 1.09 Å. In the twenty-first C site, C(19) is bonded in a distorted single-bond geometry to one C(20) and one H(14) atom. The C(19)-C(20) bond length is 1.40 Å. The C(19)-H(14) bond length is 1.09 Å. In the twenty-second C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(23) atom. The C(20)-C(21) bond length is 1.40 Å. The C(20)-C(23) bond length is 1.49 Å. In the twenty-third C site, C(21) is bonded in a distorted single-bond geometry to one C(20) and one H(15) atom. The C(21)-H(15) bond length is 1.09 Å. In the twenty-fourth C site, C(22) is bonded in a distorted single-bond geometry to one C(17) and one H(16) atom. The C(22)-H(16) bond length is 1.09 Å. In the twenty-fifth C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(20), one O(3), and one O(4) atom. The C(23)-O(3) bond length is 1.28 Å. The C(23)-O(4) bond length is 1.28 Å. In the twenty-sixth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one C(25), one O(5), and one O(6) atom. The C(24)-C(25) bond length is 1.50 Å. The C(24)-O(5) bond length is 1.29 Å. The C(24)-O(6) bond length is 1.26 Å. In the twenty-seventh C site, C(25) is bonded in a trigonal planar geometry to one C(24), one C(26), and one C(27) atom. There are eight inequivalent N sites. In the first N site, N(4) is bonded in a distorted trigonal planar geometry to one C(13), one C(7), and one N(3) atom. The N(4)-N(3) bond length is 1.35 Å. In the second N site, N(5) is bonded in a bent 120 degrees geometry to one C(10) and one C(11) atom. In the third N site, N(6) is bonded in a distorted trigonal planar geometry to one C(13), one C(14), and one N(7) atom. The N(6)-N(7) bond length is 1.36 Å. In the fourth N site, N(7) is bonded in a distorted water-like geometry to one C(15) and one N(6) atom. In the fifth N site, N(8) is bonded in a water-like geometry to one C(14) and one C(15) atom. In the sixth N site, N(3) is bonded in a distorted water-like geometry to one C(6) and one N(4) atom. In the seventh N site, N(2) is bonded in a water-like geometry to one C(6) and one C(7) atom. In the eighth N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(1), and one C(5) atom. There are eighteen 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 C(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) 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(13) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(13) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(14) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(15) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(18) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(19) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(21) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(22) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(26) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(27) atom. There are six 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(16) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(16) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Zn(1) and one C(23) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Zn(1), one Zn(2), and one C(23) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(24) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Zn(2) and one C(24) atom. Linkers: 6 [O]C(=O)c1ccc(C([O])=O)cc1. Metal clusters: 6 [Zn]. The MOF has largest included sphere 4.04 A, density 1.53 g/cm3, surface area 4400.73 m2/g, accessible volume 0.18 cm3/g