Zn3C36N9H17O14 crystallizes in the tetragonal I4/m space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a square pyramidal geometry to one O(1), one O(14), one O(6), one O(7), and one O(8) atom. The Zn(1)-O(1) bond length is 1.96 Å. The Zn(1)-O(14) bond length is 1.96 Å. The Zn(1)-O(6) bond length is 2.14 Å. The Zn(1)-O(7) bond length is 1.96 Å. The Zn(1)-O(8) bond length is 1.96 Å. In the second Zn site, Zn(2) is bonded in a square pyramidal geometry to one O(11), one O(13), one O(2), one O(5), and one O(9) atom. The Zn(2)-O(11) bond length is 1.96 Å. The Zn(2)-O(13) bond length is 1.95 Å. The Zn(2)-O(2) bond length is 1.96 Å. The Zn(2)-O(5) bond length is 2.14 Å. The Zn(2)-O(9) bond length is 1.95 Å. In the third Zn site, Zn(3) is bonded in a distorted square co-planar geometry to two equivalent O(12) and two equivalent O(3) atoms. Both Zn(3)-O(12) bond lengths are 1.96 Å. Both Zn(3)-O(3) bond lengths are 1.95 Å. In the fourth Zn site, Zn(4) is bonded in a distorted square co-planar geometry to two equivalent O(10) and two equivalent O(4) atoms. Both Zn(4)-O(10) bond lengths are 1.97 Å. Both Zn(4)-O(4) bond lengths are 1.96 Å. There are thirty-six inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(7) atom. The C(1)-C(2) bond length is 1.51 Å. The C(1)-C(3) bond length is 1.39 Å. The C(1)-C(7) bond length is 1.38 Å. In the second C site, C(2) is bonded in a bent 120 degrees geometry to one C(1), one O(3), and one O(4) atom. The C(2)-O(3) bond length is 1.24 Å. The C(2)-O(4) bond length is 1.26 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(1), one C(4), and one H(3) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-H(3) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(6) atom. The C(4)-C(5) bond length is 1.51 Å. The C(4)-C(6) bond length is 1.38 Å. In the fifth C site, C(5) is bonded in a bent 120 degrees geometry to one C(4), one O(1), and one O(2) atom. The C(5)-O(1) bond length is 1.24 Å. The C(5)-O(2) bond length is 1.26 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(4), one C(8), and one H(4) atom. The C(6)-C(8) bond length is 1.39 Å. The C(6)-H(4) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(1), one C(8), and one H(5) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-H(5) bond length is 0.93 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(6), one C(7), and one N(1) atom. The C(8)-N(1) bond length is 1.41 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(10), one N(1), and one H(6) atom. The C(9)-C(10) bond length is 1.35 Å. The C(9)-N(1) bond length is 1.35 Å. The C(9)-H(6) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a single-bond geometry to one C(12), one C(9), and one N(3) atom. The C(10)-C(12) bond length is 1.45 Å. The C(10)-N(3) bond length is 1.31 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one H(7) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-C(14) bond length is 1.39 Å. The C(11)-H(7) bond length is 0.93 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(13) atom. The C(12)-C(13) bond length is 1.39 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(17), and one H(8) atom. The C(13)-C(17) bond length is 1.39 Å. The C(13)-H(8) bond length is 0.93 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(11), one C(15), and one C(19) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-C(19) bond length is 1.45 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(14), one C(17), and one H(9) atom. The C(15)-C(17) bond length is 1.39 Å. The C(15)-H(9) bond length is 0.93 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(17), one C(20), and one N(9) atom. The C(16)-C(17) bond length is 1.44 Å. The C(16)-C(20) bond length is 1.36 Å. The C(16)-N(9) bond length is 1.28 Å. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(16) atom. In the eighteenth C site, C(18) is bonded in a 2-coordinate geometry to one C(19), one N(4), and one H(10) atom. The C(18)-C(19) bond length is 1.36 Å. The C(18)-N(4) bond length is 1.33 Å. The C(18)-H(10) bond length is 0.93 Å. In the nineteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(14), one C(18), and one N(5) atom. The C(19)-N(5) bond length is 1.27 Å. In the twentieth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(7), and one H(11) atom. The C(20)-N(7) bond length is 1.35 Å. The C(20)-H(11) bond length is 0.93 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one C(22), one C(29), and one C(30) atom. The C(21)-C(22) bond length is 1.40 Å. The C(21)-C(29) bond length is 1.39 Å. The C(21)-C(30) bond length is 1.49 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one C(21), one C(24), and one H(12) atom. The C(22)-C(24) bond length is 1.39 Å. The C(22)-H(12) bond length is 0.93 Å. In the twenty-third C site, C(23) is bonded in a distorted single-bond geometry to one C(24), one C(32), and one H(13) atom. The C(23)-C(24) bond length is 1.38 Å. The C(23)-C(32) bond length is 1.39 Å. The C(23)-H(13) bond length is 0.93 Å. In the twenty-fourth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(22), one C(23), and one N(4) atom. The C(24)-N(4) bond length is 1.43 Å. In the twenty-fifth C site, C(25) is bonded in a trigonal planar geometry to one C(26), one C(28), and one C(35) atom. The C(25)-C(26) bond length is 1.39 Å. The C(25)-C(28) bond length is 1.38 Å. The C(25)-C(35) bond length is 1.50 Å. In the twenty-sixth C site, C(26) is bonded in a distorted single-bond geometry to one C(25), one C(27), and one H(14) atom. The C(26)-C(27) bond length is 1.39 Å. The C(26)-H(14) bond length is 0.93 Å. In the twenty-seventh C site, C(27) is bonded in a trigonal planar geometry to one C(26), one C(34), and one N(7) atom. The C(27)-C(34) bond length is 1.38 Å. The C(27)-N(7) bond length is 1.43 Å. In the twenty-eighth C site, C(28) is bonded in a distorted single-bond geometry to one C(25), one C(31), and one H(15) atom. The C(28)-C(31) bond length is 1.39 Å. The C(28)-H(15) bond length is 0.93 Å. In the twenty-ninth C site, C(29) is bonded in a distorted single-bond geometry to one C(21), one C(32), and one H(16) atom. The C(29)-C(32) bond length is 1.38 Å. The C(29)-H(16) bond length is 0.93 Å. In the thirtieth C site, C(30) is bonded in a bent 120 degrees geometry to one C(21), one O(8), and one O(9) atom. The C(30)-O(8) bond length is 1.26 Å. The C(30)-O(9) bond length is 1.26 Å. In the thirty-first C site, C(31) is bonded in a trigonal planar geometry to one C(28), one C(34), and one C(36) atom. The C(31)-C(34) bond length is 1.38 Å. The C(31)-C(36) bond length is 1.50 Å. In the thirty-second C site, C(32) is bonded in a trigonal planar geometry to one C(23), one C(29), and one C(33) atom. The C(32)-C(33) bond length is 1.51 Å. In the thirty-third C site, C(33) is bonded in a bent 120 degrees geometry to one C(32), one O(11), and one O(7) atom. The C(33)-O(11) bond length is 1.25 Å. The C(33)-O(7) bond length is 1.26 Å. In the thirty-fourth C site, C(34) is bonded in a distorted single-bond geometry to one C(27), one C(31), and one H(17) atom. The C(34)-H(17) bond length is 0.93 Å. In the thirty-fifth C site, C(35) is bonded in a bent 120 degrees geometry to one C(25), one O(10), and one O(12) atom. The C(35)-O(10) bond length is 1.24 Å. The C(35)-O(12) bond length is 1.26 Å. In the thirty-sixth C site, C(36) is bonded in a bent 120 degrees geometry to one C(31), one O(13), and one O(14) atom. The C(36)-O(13) bond length is 1.25 Å. The C(36)-O(14) bond length is 1.26 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one C(8), one C(9), and one N(2) atom. The N(1)-N(2) bond length is 1.29 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 1.32 Å. In the third N site, N(3) is bonded in a distorted water-like geometry to 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 C(18), one C(24), and one N(6) atom. The N(4)-N(6) bond length is 1.28 Å. In the fifth N site, N(5) is bonded in a distorted single-bond geometry to one C(19) and one N(6) atom. The N(5)-N(6) bond length is 1.34 Å. In the sixth N site, N(6) is bonded in a distorted water-like geometry to one N(4) and one N(5) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one C(20), one C(27), and one N(8) atom. The N(7)-N(8) bond length is 1.27 Å. In the eighth N site, N(8) is bonded in a distorted single-bond geometry to one N(7) and one N(9) atom. The N(8)-N(9) bond length is 1.34 Å. In the ninth N site, N(9) is bonded in a distorted water-like geometry to one C(16) and one N(8) atom. There are seventeen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. The H(1)-O(5) bond length is 0.82 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. The H(2)-O(6) bond length is 0.82 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) 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(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(13) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(15) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(18) 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(22) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(23) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(26) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(28) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(29) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(34) atom. There are fourteen 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(5) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Zn(4) and one C(2) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Zn(2) and one H(1) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Zn(1) and one H(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(33) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(30) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(30) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Zn(4) and one C(35) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(33) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(35) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(36) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(36) atom. Linkers: 16 [O]C(=O)c1cc(C([O])=O)cc(-n2cc(-c3cc(-c4cn(-c5cc(C([O])=O)cc(C([O])=O)c5)nn4)cc(-c4cn(-c5cc(C([O])=O)cc(C([O])=O)c5)nn4)c3)nn2)c1. Metal clusters: 16 O[Zn]1234O[C]O[Zn]1(O)(O[C]O2)(O[C]O3)O[C]O4 ,8 [C]1O[Zn]234O[C]O[Zn]2(O1)(O[C]O3)O[C]O4. The MOF has largest included sphere 20.07 A, density 0.60 g/cm3, surface area 3932.87 m2/g, accessible volume 1.34 cm3/g