CuC17N2H12O3 crystallizes in the triclinic P-1 space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square pyramidal geometry to one N(2), one N(4), one O(1), one O(6), and one O(9) atom. The Cu(1)-N(2) bond length is 2.04 Å. The Cu(1)-N(4) bond length is 2.29 Å. The Cu(1)-O(1) bond length is 2.02 Å. The Cu(1)-O(6) bond length is 1.96 Å. The Cu(1)-O(9) bond length is 1.94 Å. In the second Cu site, Cu(2) is bonded in a distorted square pyramidal geometry to one N(3), one N(5), one O(2), one O(4), and one O(7) atom. The Cu(2)-N(3) bond length is 2.04 Å. The Cu(2)-N(5) bond length is 2.29 Å. The Cu(2)-O(2) bond length is 2.02 Å. The Cu(2)-O(4) bond length is 1.96 Å. The Cu(2)-O(7) bond length is 1.94 Å. In the third Cu site, Cu(3) is bonded in a distorted square pyramidal geometry to one N(1), one N(6), one O(3), one O(5), and one O(8) atom. The Cu(3)-N(1) bond length is 2.04 Å. The Cu(3)-N(6) bond length is 2.29 Å. The Cu(3)-O(3) bond length is 2.03 Å. The Cu(3)-O(5) bond length is 1.96 Å. The Cu(3)-O(8) bond length is 1.94 Å. There are thirty-eight inequivalent C sites. In the first C site, C(27) is bonded in a distorted single-bond geometry to one C(22,23,24); one C(30); and one H(19,20,21) atom. The C(27)-C(22,23,24) bond length is 1.41 Å. The C(27)-C(30) bond length is 1.39 Å. The C(27)-H(19,20,21) bond length is 1.09 Å. In the second C site, C(28) is bonded in a distorted trigonal planar geometry to one C(25), one N(4), and one H(22) atom. The C(28)-C(25) bond length is 1.39 Å. The C(28)-N(4) bond length is 1.34 Å. The C(28)-H(22) bond length is 1.09 Å. In the third C site, C(29) is bonded in a distorted trigonal planar geometry to one C(26); one N(5); and one H(23,24) atom. The C(29)-C(26) bond length is 1.39 Å. The C(29)-N(5) bond length is 1.34 Å. The C(29)-H(23,24) bond length is 1.09 Å. In the fourth C site, C(30) is bonded in a distorted trigonal planar geometry to one C(27); one N(6); and one H(23,24) atom. The C(30)-N(6) bond length is 1.34 Å. The C(30)-H(23,24) bond length is 1.09 Å. In the fifth C site, C(31) is bonded in a distorted bent 120 degrees geometry to one C(34), one O(1), and one O(4) atom. The C(31)-C(34) bond length is 1.47 Å. The C(31)-O(1) bond length is 1.28 Å. The C(31)-O(4) bond length is 1.28 Å. In the sixth C site, C(32) is bonded in a distorted bent 120 degrees geometry to one C(35), one O(2), and one O(5) atom. The C(32)-C(35) bond length is 1.47 Å. The C(32)-O(2) bond length is 1.28 Å. The C(32)-O(5) bond length is 1.28 Å. In the seventh C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(36), one O(3), and one O(6) atom. The C(33)-C(36) bond length is 1.47 Å. The C(33)-O(3) bond length is 1.28 Å. The C(33)-O(6) bond length is 1.28 Å. In the eighth C site, C(34) is bonded in a trigonal planar geometry to one C(31); one C(37); and one C(49,50) atom. The C(34)-C(37) bond length is 1.43 Å. The C(34)-C(49,50) bond length is 1.41 Å. In the ninth C site, C(35) is bonded in a trigonal planar geometry to one C(32); one C(38); and one C(49,50) atom. The C(35)-C(38) bond length is 1.43 Å. The C(35)-C(49,50) bond length is 1.41 Å. In the tenth C site, C(36) is bonded in a trigonal planar geometry to one C(33), one C(39), and one C(51) atom. The C(36)-C(39) bond length is 1.43 Å. The C(36)-C(51) bond length is 1.41 Å. In the eleventh C site, C(37) is bonded in a single-bond geometry to one C(34) and one O(7) atom. The C(37)-O(7) bond length is 1.31 Å. In the twelfth C site, C(38) is bonded in a single-bond geometry to one C(35) and one O(8) atom. The C(38)-O(8) bond length is 1.31 Å. In the thirteenth C site, C(39) is bonded in a single-bond geometry to one C(36) and one O(9) atom. The C(39)-O(9) bond length is 1.31 Å. In the fourteenth C site, C(40,41,42) is bonded in a distorted single-bond geometry to one C(43,44) and one H(25,26) atom. The C(40,41,42)-C(43,44) bond length is 1.38 Å. The C(40,41,42)-H(25,26) bond length is 1.09 Å. In the fifteenth C site, C(43,44) is bonded in a distorted trigonal planar geometry to one C(40,41,42); one C(46,48); and one H(28,29,30) atom. The C(43,44)-C(46,48) bond length is 1.41 Å. The C(43,44)-H(28,29,30) bond length is 1.09 Å. In the sixteenth C site, C(45) is bonded in a distorted trigonal planar geometry to one C(40,41,42); one C(46,48); and one H(28,29,30) atom. The C(45)-C(40,41,42) bond length is 1.38 Å. The C(45)-C(46,48) bond length is 1.41 Å. The C(45)-H(28,29,30) bond length is 1.09 Å. In the seventeenth C site, C(46,48) is bonded in a distorted trigonal planar geometry to one C(43,44); one C(49,50); and one H(31,32) atom. The C(46,48)-C(49,50) bond length is 1.39 Å. The C(46,48)-H(31,32) bond length is 1.09 Å. In the eighteenth C site, C(47) is bonded in a distorted trigonal planar geometry to one C(43,44); one C(49,50); and one H(31,32) atom. The C(47)-C(43,44) bond length is 1.41 Å. The C(47)-C(49,50) bond length is 1.39 Å. The C(47)-H(31,32) bond length is 1.09 Å. In the nineteenth C site, C(49,50) is bonded in a distorted single-bond geometry to one C(34); one C(46,48); and one H(34,36) atom. The C(49,50)-H(34,36) bond length is 1.09 Å. In the twentieth C site, C(51) is bonded in a distorted single-bond geometry to one C(36); one C(46,48); and one H(34,36) atom. The C(51)-C(46,48) bond length is 1.39 Å. The C(51)-H(34,36) bond length is 1.09 Å. In the twenty-first C site, C(1) is bonded in a distorted trigonal planar geometry to one N(1) and one H(1,2,3) atom. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(1,2,3) bond length is 1.09 Å. In the twenty-second C site, C(2) is bonded in a distorted trigonal planar geometry to one N(2) and one H(1,2,3) atom. The C(2)-N(2) bond length is 1.35 Å. The C(2)-H(1,2,3) bond length is 1.09 Å. In the twenty-third C site, C(3) is bonded in a distorted trigonal planar geometry to one N(3) and one H(1,2,3) atom. The C(3)-N(3) bond length is 1.35 Å. The C(3)-H(1,2,3) bond length is 1.09 Å. In the twenty-fourth C site, C(4,5,6) is bonded in a distorted single-bond geometry to one C(7,8) and one H(4,5,6) atom. The C(4,5,6)-C(7,8) bond length is 1.40 Å. The C(4,5,6)-H(4,5,6) bond length is 1.09 Å. In the twenty-fifth C site, C(7,8) is bonded in a trigonal planar geometry to one C(10,11,12); one C(22,23,24); and one C(4,5,6) atom. The C(7,8)-C(10,11,12) bond length is 1.40 Å. The C(7,8)-C(22,23,24) bond length is 1.47 Å. In the twenty-sixth C site, C(9) is bonded in a trigonal planar geometry to one C(10,11,12); one C(22,23,24); and one C(4,5,6) atom. The C(9)-C(10,11,12) bond length is 1.40 Å. The C(9)-C(22,23,24) bond length is 1.47 Å. The C(9)-C(4,5,6) bond length is 1.40 Å. In the twenty-seventh C site, C(10,11,12) is bonded in a distorted trigonal planar geometry to one C(13); one C(7,8); and one H(7,8,9) atom. The C(10,11,12)-C(13) bond length is 1.39 Å. The C(10,11,12)-H(7,8,9) bond length is 1.09 Å. In the twenty-eighth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(10,11,12); one N(1); and one H(10,11,12) atom. The C(13)-N(1) bond length is 1.35 Å. The C(13)-H(10,11,12) bond length is 1.09 Å. In the twenty-ninth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(10,11,12); one N(2); and one H(10,11,12) atom. The C(14)-C(10,11,12) bond length is 1.39 Å. The C(14)-N(2) bond length is 1.35 Å. The C(14)-H(10,11,12) bond length is 1.09 Å. In the thirtieth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(10,11,12); one N(3); and one H(10,11,12) atom. The C(15)-C(10,11,12) bond length is 1.39 Å. The C(15)-N(3) bond length is 1.35 Å. The C(15)-H(10,11,12) bond length is 1.09 Å. In the thirty-first C site, C(16) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(13) atom. The C(16)-N(4) bond length is 1.34 Å. The C(16)-H(13) bond length is 1.09 Å. In the thirty-second C site, C(17) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(14,15) atom. The C(17)-N(5) bond length is 1.34 Å. The C(17)-H(14,15) bond length is 1.09 Å. In the thirty-third C site, C(18) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(14,15) atom. The C(18)-N(6) bond length is 1.34 Å. The C(18)-H(14,15) bond length is 1.09 Å. In the thirty-fourth C site, C(19,20) is bonded in a distorted single-bond geometry to one C(22,23,24) and one H(16,17,18) atom. The C(19,20)-C(22,23,24) bond length is 1.40 Å. The C(19,20)-H(16,17,18) bond length is 1.09 Å. In the thirty-fifth C site, C(21) is bonded in a distorted single-bond geometry to one C(22,23,24) and one H(16,17,18) atom. The C(21)-C(22,23,24) bond length is 1.40 Å. The C(21)-H(16,17,18) bond length is 1.09 Å. In the thirty-sixth C site, C(22,23,24) is bonded in a trigonal planar geometry to one C(19,20); one C(25); and one C(7,8) atom. The C(22,23,24)-C(25) bond length is 1.41 Å. In the thirty-seventh C site, C(25) is bonded in a distorted single-bond geometry to one C(22,23,24); one C(28); and one H(19,20,21) atom. The C(25)-H(19,20,21) bond length is 1.09 Å. In the thirty-eighth C site, C(26) is bonded in a distorted single-bond geometry to one C(22,23,24); one C(29); and one H(19,20,21) atom. The C(26)-C(22,23,24) bond length is 1.41 Å. The C(26)-H(19,20,21) bond length is 1.09 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(3), one C(1), and one C(13) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(1), one C(14), and one C(2) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(2), one C(15), and one C(3) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(16), and one C(28) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(2), one C(17), and one C(29) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cu(3), one C(18), and one C(30) atom. There are seventeen inequivalent H sites. In the first H site, H(1,2,3) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(4,5,6) is bonded in a single-bond geometry to one C(4,5,6) atom. In the third H site, H(7,8,9) is bonded in a single-bond geometry to one C(10,11,12) atom. In the fourth H site, H(10,11,12) is bonded in a single-bond geometry to one C(13) atom. In the fifth H site, H(13) is bonded in a single-bond geometry to one C(16) atom. In the sixth H site, H(14,15) is bonded in a single-bond geometry to one C(17) atom. In the seventh H site, H(16,17,18) is bonded in a single-bond geometry to one C(19,20) atom. In the eighth H site, H(19,20,21) is bonded in a single-bond geometry to one C(25) atom. In the ninth H site, H(22) is bonded in a single-bond geometry to one C(28) atom. In the tenth H site, H(23,24) is bonded in a single-bond geometry to one C(29) atom. In the eleventh H site, H(25,26) is bonded in a single-bond geometry to one C(40,41,42) atom. In the twelfth H site, H(27) is bonded in a single-bond geometry to one C(40,41,42) atom. The H(27)-C(40,41,42) bond length is 1.09 Å. In the thirteenth H site, H(28,29,30) is bonded in a single-bond geometry to one C(43,44) atom. In the fourteenth H site, H(31,32) is bonded in a single-bond geometry to one C(46,48) atom. In the fifteenth H site, H(33) is bonded in a single-bond geometry to one C(46,48) atom. The H(33)-C(46,48) bond length is 1.09 Å. In the sixteenth H site, H(34,36) is bonded in a single-bond geometry to one C(49,50) atom. In the seventeenth H site, H(35) is bonded in a single-bond geometry to one C(49,50) atom. The H(35)-C(49,50) bond length is 1.09 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Cu(1) and one C(31) atom. In the second O site, O(2) is bonded in a water-like geometry to one Cu(2) and one C(32) atom. In the third O site, O(3) is bonded in a water-like geometry to one Cu(3) and one C(33) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(31) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one C(32) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(33) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(37) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(38) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(39) atom. Linkers: 6 [O]C(=O)c1ccccc1[O] ,6 c1cc(-c2ccncc2)ccn1. Metal clusters: 6 [Cu]. The MOF has largest included sphere 8.43 A, density 1.10 g/cm3, surface area 4441.88 m2/g, accessible volume 0.51 cm3/g