Zn3C50H34(NO4)4(H2O)2 crystallizes in the triclinic P-1 space group. The structure consists of four water molecules inside a Zn3C50H34(NO4)4 framework. In the Zn3C50H34(NO4)4 framework, there are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one N(1); one O(15); one O(2); one O(3,4); and one O(5) atom. The Zn(1)-N(1) bond length is 2.02 Å. The Zn(1)-O(15) bond length is 2.08 Å. The Zn(1)-O(2) bond length is 2.11 Å. The Zn(1)-O(3,4) bond length is 2.42 Å. The Zn(1)-O(5) bond length is 2.00 Å. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one N(2); one O(1); one O(16); one O(3,4); and one O(6) atom. The Zn(2)-N(2) bond length is 2.02 Å. The Zn(2)-O(1) bond length is 2.11 Å. The Zn(2)-O(16) bond length is 2.08 Å. The Zn(2)-O(3,4) bond length is 2.42 Å. The Zn(2)-O(6) bond length is 2.00 Å. In the third Zn site, Zn(3) is bonded in a distorted pentagonal pyramidal geometry to one N(3), one N(4), one O(11), one O(12), one O(13), and one O(14) atom. The Zn(3)-N(3) bond length is 2.09 Å. The Zn(3)-N(4) bond length is 2.09 Å. The Zn(3)-O(11) bond length is 2.30 Å. The Zn(3)-O(12) bond length is 2.30 Å. The Zn(3)-O(13) bond length is 2.13 Å. The Zn(3)-O(14) bond length is 2.13 Å. There are thirty-six inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(5,6); one O(1); and one O(3,4) atom. The C(1)-C(5,6) bond length is 1.49 Å. The C(1)-O(1) bond length is 1.31 Å. The C(1)-O(3,4) bond length is 1.25 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(5,6); one O(2); and one O(3,4) atom. The C(2)-C(5,6) bond length is 1.49 Å. The C(2)-O(2) bond length is 1.31 Å. The C(2)-O(3,4) bond length is 1.25 Å. In the third C site, C(3,4) is bonded in a distorted bent 120 degrees geometry to one C(7); one O(5); and one O(7,8) atom. The C(3,4)-C(7) bond length is 1.51 Å. The C(3,4)-O(5) bond length is 1.29 Å. The C(3,4)-O(7,8) bond length is 1.26 Å. In the fourth C site, C(5,6) is bonded in a trigonal planar geometry to one C(1), one C(15), and one C(7) atom. The C(5,6)-C(15) bond length is 1.40 Å. The C(5,6)-C(7) bond length is 1.41 Å. In the fifth C site, C(7) is bonded in a trigonal planar geometry to one C(3,4); one C(5,6); and one C(9,10) atom. The C(7)-C(9,10) bond length is 1.40 Å. In the sixth C site, C(8) is bonded in a trigonal planar geometry to one C(3,4); one C(5,6); and one C(9,10) atom. The C(8)-C(3,4) bond length is 1.51 Å. The C(8)-C(5,6) bond length is 1.41 Å. The C(8)-C(9,10) bond length is 1.40 Å. In the seventh C site, C(9,10) is bonded in a distorted single-bond geometry to one C(7) and one O(9,10) atom. The C(9,10)-O(9,10) bond length is 1.40 Å. In the eighth C site, C(11,12) is bonded in a distorted single-bond geometry to one C(13,14) and one H(1,2) atom. The C(11,12)-C(13,14) bond length is 1.40 Å. The C(11,12)-H(1,2) bond length is 1.09 Å. In the ninth C site, C(13,14) is bonded in a distorted trigonal planar geometry to one C(11,12); one C(15); and one H(3,4) atom. The C(13,14)-C(15) bond length is 1.39 Å. The C(13,14)-H(3,4) bond length is 1.09 Å. In the tenth C site, C(15) is bonded in a distorted single-bond geometry to one C(13,14); one C(5,6); and one H(5,6) atom. The C(15)-H(5,6) bond length is 1.09 Å. In the eleventh C site, C(16) is bonded in a distorted single-bond geometry to one C(13,14); one C(5,6); and one H(5,6) atom. The C(16)-C(13,14) bond length is 1.39 Å. The C(16)-C(5,6) bond length is 1.40 Å. The C(16)-H(5,6) bond length is 1.09 Å. In the twelfth C site, C(17) is bonded in a distorted single-bond geometry to one C(19,20); one C(27,28); and one O(9,10) atom. The C(17)-C(19,20) bond length is 1.40 Å. The C(17)-C(27,28) bond length is 1.40 Å. The C(17)-O(9,10) bond length is 1.38 Å. In the thirteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(19,20); one C(27,28); and one O(9,10) atom. The C(18)-C(19,20) bond length is 1.40 Å. The C(18)-C(27,28) bond length is 1.40 Å. The C(18)-O(9,10) bond length is 1.38 Å. In the fourteenth C site, C(19,20) is bonded in a distorted trigonal planar geometry to one C(17); one C(21); and one H(7,8) atom. The C(19,20)-C(21) bond length is 1.39 Å. The C(19,20)-H(7,8) bond length is 1.09 Å. In the fifteenth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(19,20); one C(23); and one H(9,10) atom. The C(21)-C(23) bond length is 1.40 Å. The C(21)-H(9,10) bond length is 1.09 Å. In the sixteenth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(19,20); one C(24); and one H(9,10) atom. The C(22)-C(19,20) bond length is 1.39 Å. The C(22)-C(24) bond length is 1.40 Å. The C(22)-H(9,10) bond length is 1.09 Å. In the seventeenth C site, C(23) is bonded in a trigonal planar geometry to one C(21), one C(25), and one C(29) atom. The C(23)-C(25) bond length is 1.40 Å. The C(23)-C(29) bond length is 1.48 Å. In the eighteenth C site, C(24) is bonded in a trigonal planar geometry to one C(22), one C(26), and one C(30) atom. The C(24)-C(26) bond length is 1.40 Å. The C(24)-C(30) bond length is 1.48 Å. In the nineteenth C site, C(25) is bonded in a distorted single-bond geometry to one C(23); one C(27,28); and one H(11,12) atom. The C(25)-C(27,28) bond length is 1.39 Å. The C(25)-H(11,12) bond length is 1.09 Å. In the twentieth C site, C(26) is bonded in a distorted single-bond geometry to one C(24); one C(27,28); and one H(11,12) atom. The C(26)-C(27,28) bond length is 1.39 Å. The C(26)-H(11,12) bond length is 1.09 Å. In the twenty-first C site, C(27,28) is bonded in a distorted trigonal planar geometry to one C(17), one C(25), and one H(13) atom. The C(27,28)-H(13) bond length is 1.09 Å. In the twenty-second C site, C(29) is bonded in a distorted bent 120 degrees geometry to one C(23), one O(11), and one O(13) atom. The C(29)-O(11) bond length is 1.27 Å. The C(29)-O(13) bond length is 1.29 Å. In the twenty-third C site, C(30) is bonded in a distorted bent 120 degrees geometry to one C(24), one O(12), and one O(14) atom. The C(30)-O(12) bond length is 1.27 Å. The C(30)-O(14) bond length is 1.29 Å. In the twenty-fourth C site, C(31,32) is bonded in a distorted bent 120 degrees geometry to one C(33); one N(1); and one H(15,16) atom. The C(31,32)-C(33) bond length is 1.39 Å. The C(31,32)-N(1) bond length is 1.35 Å. The C(31,32)-H(15,16) bond length is 1.09 Å. In the twenty-fifth C site, C(33) is bonded in a distorted trigonal planar geometry to one C(31,32); one C(35,36); and one H(17,18) atom. The C(33)-C(35,36) bond length is 1.40 Å. The C(33)-H(17,18) bond length is 1.09 Å. In the twenty-sixth C site, C(34) is bonded in a distorted trigonal planar geometry to one C(31,32); one C(35,36); and one H(17,18) atom. The C(34)-C(31,32) bond length is 1.39 Å. The C(34)-C(35,36) bond length is 1.40 Å. The C(34)-H(17,18) bond length is 1.09 Å. In the twenty-seventh C site, C(35,36) is bonded in a trigonal planar geometry to one C(33), one C(37), and one C(45) atom. The C(35,36)-C(37) bond length is 1.41 Å. The C(35,36)-C(45) bond length is 1.48 Å. In the twenty-eighth C site, C(37) is bonded in a distorted single-bond geometry to one C(35,36); one C(39,40); and one H(19,20) atom. The C(37)-C(39,40) bond length is 1.39 Å. The C(37)-H(19,20) bond length is 1.09 Å. In the twenty-ninth C site, C(38) is bonded in a distorted single-bond geometry to one C(35,36); one C(39,40); and one H(19,20) atom. The C(38)-C(35,36) bond length is 1.41 Å. The C(38)-C(39,40) bond length is 1.39 Å. The C(38)-H(19,20) bond length is 1.09 Å. In the thirtieth C site, C(39,40) is bonded in a distorted trigonal planar geometry to one C(37), one N(1), and one H(21) atom. The C(39,40)-N(1) bond length is 1.35 Å. The C(39,40)-H(21) bond length is 1.09 Å. In the thirty-first C site, C(41,42) is bonded in a distorted trigonal planar geometry to one C(43,44); one N(3); and one H(23,24) atom. The C(41,42)-C(43,44) bond length is 1.39 Å. The C(41,42)-N(3) bond length is 1.35 Å. The C(41,42)-H(23,24) bond length is 1.09 Å. In the thirty-second C site, C(43,44) is bonded in a distorted single-bond geometry to one C(41,42); one C(45); and one H(25,26) atom. The C(43,44)-C(45) bond length is 1.41 Å. The C(43,44)-H(25,26) bond length is 1.09 Å. In the thirty-third C site, C(45) is bonded in a trigonal planar geometry to one C(35,36); one C(43,44); and one C(47,48) atom. The C(45)-C(47,48) bond length is 1.40 Å. In the thirty-fourth C site, C(46) is bonded in a trigonal planar geometry to one C(35,36); one C(43,44); and one C(47,48) atom. The C(46)-C(35,36) bond length is 1.48 Å. The C(46)-C(43,44) bond length is 1.41 Å. The C(46)-C(47,48) bond length is 1.40 Å. In the thirty-fifth C site, C(47,48) is bonded in a distorted single-bond geometry to one C(45) and one H(27,28) atom. The C(47,48)-H(27,28) bond length is 1.09 Å. In the thirty-sixth C site, C(49,50) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(29,30) atom. The C(49,50)-N(3) bond length is 1.35 Å. The C(49,50)-H(29,30) bond length is 1.09 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1); one C(31,32); and one C(39,40) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(2); one C(31,32); and one C(39,40) atom. The N(2)-C(31,32) bond length is 1.35 Å. The N(2)-C(39,40) bond length is 1.35 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(3); one C(41,42); and one C(49,50) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Zn(3); one C(41,42); and one C(49,50) atom. The N(4)-C(41,42) bond length is 1.35 Å. The N(4)-C(49,50) bond length is 1.35 Å. There are twenty-one inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(11,12) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(13,14) atom. In the third H site, H(5,6) is bonded in a single-bond geometry to one C(15) atom. In the fourth H site, H(7,8) is bonded in a single-bond geometry to one C(19,20) atom. In the fifth H site, H(9,10) is bonded in a single-bond geometry to one C(21) atom. In the sixth H site, H(11,12) is bonded in a single-bond geometry to one C(25) atom. In the seventh H site, H(13) is bonded in a single-bond geometry to one C(27,28) atom. In the eighth H site, H(14) is bonded in a single-bond geometry to one C(27,28) atom. The H(14)-C(27,28) bond length is 1.09 Å. In the ninth H site, H(15,16) is bonded in a single-bond geometry to one C(31,32) atom. In the tenth H site, H(17,18) is bonded in a single-bond geometry to one C(33) atom. In the eleventh H site, H(19,20) is bonded in a single-bond geometry to one C(37) atom. In the twelfth H site, H(21) is bonded in a single-bond geometry to one C(39,40) atom. In the thirteenth H site, H(22) is bonded in a single-bond geometry to one C(39,40) atom. The H(22)-C(39,40) bond length is 1.09 Å. In the fourteenth H site, H(23,24) is bonded in a single-bond geometry to one C(41,42) atom. In the fifteenth H site, H(25,26) is bonded in a single-bond geometry to one C(43,44) atom. In the sixteenth H site, H(27,28) is bonded in a single-bond geometry to one C(47,48) atom. In the seventeenth H site, H(29,30) is bonded in a single-bond geometry to one C(49,50) atom. In the eighteenth H site, H(31) is bonded in a single-bond geometry to one O(1) and one O(15) atom. The H(31)-O(1) bond length is 1.71 Å. The H(31)-O(15) bond length is 1.00 Å. In the nineteenth H site, H(32) is bonded in a single-bond geometry to one O(16) and one O(2) atom. The H(32)-O(16) bond length is 1.00 Å. The H(32)-O(2) bond length is 1.71 Å. In the twentieth H site, H(33) is bonded in a distorted single-bond geometry to one O(15) and one O(7,8) atom. The H(33)-O(15) bond length is 1.01 Å. The H(33)-O(7,8) bond length is 1.64 Å. In the twenty-first H site, H(34) is bonded in a distorted single-bond geometry to one O(16) and one O(7,8) atom. The H(34)-O(16) bond length is 1.01 Å. The H(34)-O(7,8) bond length is 1.64 Å. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Zn(2), one C(1), and one H(31) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Zn(1), one C(2), and one H(32) atom. In the third O site, O(3,4) is bonded in a distorted single-bond geometry to one Zn(2) and one C(1) atom. In the fourth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(3,4) atom. In the fifth O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(3,4) atom. The O(6)-C(3,4) bond length is 1.29 Å. In the sixth O site, O(7,8) is bonded in a distorted water-like geometry to one C(3,4) and one H(33) atom. In the seventh O site, O(9,10) is bonded in a bent 120 degrees geometry to one C(17) and one C(9,10) atom. In the eighth O site, O(11) is bonded in a distorted L-shaped geometry to one Zn(3) and one C(29) atom. In the ninth O site, O(12) is bonded in a distorted L-shaped geometry to one Zn(3) and one C(30) atom. In the tenth O site, O(13) is bonded in an L-shaped geometry to one Zn(3) and one C(29) atom. In the eleventh O site, O(14) is bonded in an L-shaped geometry to one Zn(3) and one C(30) atom. In the twelfth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one H(31), and one H(33) atom. In the thirteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Zn(2), one H(32), and one H(34) atom. Linkers: 4 c1cc(-c2ccncc2)ccn1 ,4 [O]C(=O)c1ccc(Oc2cccc(C([O])=O)c2C([O])=O)cc1. Metal clusters: 4 O.O=[C]O[Zn]O[C]=O ,2 [C]1O[Zn]2(O1)O[C]O2. The MOF has largest included sphere 4.29 A, density 1.52 g/cm3, surface area 4428.24 m2/g, accessible volume 0.19 cm3/g