CuC8N3H3O4 crystallizes in the monoclinic C2 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1,4) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(14), one O(21), and one O(8) atom. The Cu(1,4)-O(1) bond length is 2.00 Å. The Cu(1,4)-O(11) bond length is 2.38 Å. The Cu(1,4)-O(14) bond length is 1.96 Å. The Cu(1,4)-O(21) bond length is 2.01 Å. The Cu(1,4)-O(8) bond length is 1.99 Å. In the second Cu site, Cu(2,5) is bonded in a 5-coordinate geometry to one O(10); one O(15); one O(2,4,5); one O(20,23,24); and one O(7) atom. The Cu(2,5)-O(10) bond length is 2.38 Å. The Cu(2,5)-O(15) bond length is 1.96 Å. The Cu(2,5)-O(2,4,5) bond length is 2.00 Å. The Cu(2,5)-O(20,23,24) bond length is 2.01 Å. The Cu(2,5)-O(7) bond length is 2.00 Å. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(19), one O(3), and one O(9) atom. The Cu(3)-O(12) bond length is 2.38 Å. The Cu(3)-O(13) bond length is 1.96 Å. The Cu(3)-O(19) bond length is 2.01 Å. The Cu(3)-O(3) bond length is 2.01 Å. The Cu(3)-O(9) bond length is 1.99 Å. In the fourth Cu site, Cu(6) is bonded in a 5-coordinate geometry to one O(12), one O(16), one O(22), one O(6), and one O(9) atom. The Cu(6)-O(12) bond length is 1.99 Å. The Cu(6)-O(16) bond length is 1.96 Å. The Cu(6)-O(22) bond length is 2.01 Å. The Cu(6)-O(6) bond length is 2.00 Å. The Cu(6)-O(9) bond length is 2.39 Å. There are twenty-six inequivalent C sites. In the first C site, C(18) is bonded in a trigonal planar geometry to one C(12), one C(24), and one C(42) atom. The C(18)-C(12) bond length is 1.39 Å. The C(18)-C(24) bond length is 1.40 Å. The C(18)-C(42) bond length is 1.49 Å. In the second C site, C(19) is bonded in a distorted trigonal planar geometry to one C(13), one C(25), and one H(1) atom. The C(19)-C(13) bond length is 1.40 Å. The C(19)-C(25) bond length is 1.40 Å. The C(19)-H(1) bond length is 1.09 Å. In the third C site, C(20,22,23) is bonded in a distorted trigonal planar geometry to one C(14,16,17); one C(26,28,29,30); and one H(2,3,4,5,6) atom. The C(20,22,23)-C(14,16,17) bond length is 1.40 Å. The C(20,22,23)-C(26,28,29,30) bond length is 1.40 Å. The C(20,22,23)-H(2,3,4,5,6) bond length is 1.09 Å. In the fourth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(15); one C(27); and one H(2,3,4,5,6) atom. The C(21)-C(15) bond length is 1.40 Å. The C(21)-C(27) bond length is 1.40 Å. The C(21)-H(2,3,4,5,6) bond length is 1.09 Å. In the fifth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(18); one C(26,28,29,30); and one H(2,3,4,5,6) atom. The C(24)-C(26,28,29,30) bond length is 1.40 Å. The C(24)-H(2,3,4,5,6) bond length is 1.09 Å. In the sixth C site, C(25) is bonded in a trigonal planar geometry to one C(19), one C(31), and one C(43) atom. The C(25)-C(31) bond length is 1.40 Å. The C(25)-C(43) bond length is 1.50 Å. In the seventh C site, C(26,28,29,30) is bonded in a trigonal planar geometry to one C(20,22,23); one C(32,34,35,36); and one C(44,45,46,47,48) atom. The C(26,28,29,30)-C(32,34,35,36) bond length is 1.40 Å. The C(26,28,29,30)-C(44,45,46,47,48) bond length is 1.50 Å. In the eighth C site, C(27) is bonded in a trigonal planar geometry to one C(21); one C(33); and one C(44,45,46,47,48) atom. The C(27)-C(33) bond length is 1.40 Å. The C(27)-C(44,45,46,47,48) bond length is 1.50 Å. In the ninth C site, C(31) is bonded in a distorted trigonal planar geometry to one C(1), one C(25), and one H(13) atom. The C(31)-C(1) bond length is 1.40 Å. The C(31)-H(13) bond length is 1.09 Å. In the tenth C site, C(32,34,35,36) is bonded in a distorted trigonal planar geometry to one C(2,3,4,5,6); one C(26,28,29,30); and one H(14,15,16,17,18) atom. The C(32,34,35,36)-C(2,3,4,5,6) bond length is 1.40 Å. The C(32,34,35,36)-H(14,15,16,17,18) bond length is 1.09 Å. In the eleventh C site, C(33) is bonded in a distorted trigonal planar geometry to one C(2,3,4,5,6); one C(27); and one H(14,15,16,17,18) atom. The C(33)-C(2,3,4,5,6) bond length is 1.40 Å. The C(33)-H(14,15,16,17,18) bond length is 1.09 Å. In the twelfth C site, C(37,40) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(1), and one O(7) atom. The C(37,40)-C(13) bond length is 1.49 Å. The C(37,40)-O(1) bond length is 1.27 Å. The C(37,40)-O(7) bond length is 1.29 Å. In the thirteenth C site, C(38,41) is bonded in a distorted bent 120 degrees geometry to one C(14,16,17); one O(2,4,5); and one O(8) atom. The C(38,41)-C(14,16,17) bond length is 1.49 Å. The C(38,41)-O(2,4,5) bond length is 1.27 Å. The C(38,41)-O(8) bond length is 1.29 Å. In the fourteenth C site, C(39) is bonded in a distorted bent 120 degrees geometry to one C(15), one O(3), and one O(9) atom. The C(39)-C(15) bond length is 1.50 Å. The C(39)-O(3) bond length is 1.27 Å. The C(39)-O(9) bond length is 1.29 Å. In the fifteenth C site, C(42) is bonded in a distorted bent 120 degrees geometry to one C(18), one O(12), and one O(6) atom. The C(42)-O(12) bond length is 1.29 Å. The C(42)-O(6) bond length is 1.27 Å. In the sixteenth C site, C(43) is bonded in a distorted bent 120 degrees geometry to one C(25), one O(13), and one O(19) atom. The C(43)-O(13) bond length is 1.28 Å. The C(43)-O(19) bond length is 1.27 Å. In the seventeenth C site, C(44,45,46,47,48) is bonded in a distorted bent 120 degrees geometry to one C(26,28,29,30); one O(14); and one O(20,23,24) atom. The C(44,45,46,47,48)-O(14) bond length is 1.28 Å. The C(44,45,46,47,48)-O(20,23,24) bond length is 1.27 Å. In the eighteenth C site, C(1) is bonded in a distorted trigonal planar geometry to one C(31), one C(7), and one N(1) atom. The C(1)-C(7) bond length is 1.40 Å. The C(1)-N(1) bond length is 1.41 Å. In the nineteenth C site, C(2,3,4,5,6) is bonded in a distorted trigonal planar geometry to one C(32,34,35,36); one C(8,10,11); and one N(2,4,5,6) atom. The C(2,3,4,5,6)-C(8,10,11) bond length is 1.40 Å. The C(2,3,4,5,6)-N(2,4,5,6) bond length is 1.41 Å. In the twentieth C site, C(7) is bonded in a distorted single-bond geometry to one C(1); one C(13); and one H(7,8,10,11,12) atom. The C(7)-C(13) bond length is 1.39 Å. The C(7)-H(7,8,10,11,12) bond length is 1.09 Å. In the twenty-first C site, C(8,10,11) is bonded in a distorted single-bond geometry to one C(14,16,17); one C(2,3,4,5,6); and one H(7,8,10,11,12) atom. The C(8,10,11)-C(14,16,17) bond length is 1.39 Å. The C(8,10,11)-H(7,8,10,11,12) bond length is 1.09 Å. In the twenty-second C site, C(9) is bonded in a distorted single-bond geometry to one C(15); one C(2,3,4,5,6); and one H(9) atom. The C(9)-C(15) bond length is 1.39 Å. The C(9)-C(2,3,4,5,6) bond length is 1.40 Å. The C(9)-H(9) bond length is 1.09 Å. In the twenty-third C site, C(12) is bonded in a distorted single-bond geometry to one C(18); one C(2,3,4,5,6); and one H(7,8,10,11,12) atom. The C(12)-C(2,3,4,5,6) bond length is 1.40 Å. The C(12)-H(7,8,10,11,12) bond length is 1.09 Å. In the twenty-fourth C site, C(13) is bonded in a trigonal planar geometry to one C(19); one C(37,40); and one C(7) atom. In the twenty-fifth C site, C(14,16,17) is bonded in a trigonal planar geometry to one C(20,22,23); one C(38,41); and one C(8,10,11) atom. In the twenty-sixth C site, C(15) is bonded in a trigonal planar geometry to one C(21), one C(39), and one C(9) atom. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one C(1) and one N(7,8,9,12) atom. The N(1)-N(7,8,9,12) bond length is 1.23 Å. In the second N site, N(2,4,5,6) is bonded in a distorted single-bond geometry to one C(2,3,4,5,6) and one N(7,8,9,12) atom. The N(2,4,5,6)-N(7,8,9,12) bond length is 1.23 Å. In the third N site, N(3) is bonded in a distorted single-bond geometry to one C(2,3,4,5,6) and one N(7,8,9,12) atom. The N(3)-C(2,3,4,5,6) bond length is 1.41 Å. The N(3)-N(7,8,9,12) bond length is 1.23 Å. In the fourth N site, N(7,8,9,12) is bonded in a linear geometry to one N(1) and one N(13) atom. The N(7,8,9,12)-N(13) bond length is 1.15 Å. In the fifth N site, N(10,11) is bonded in a linear geometry to one N(14,15,16,17,18) and one N(2,4,5,6) atom. The N(10,11)-N(14,15,16,17,18) bond length is 1.15 Å. The N(10,11)-N(2,4,5,6) bond length is 1.23 Å. In the sixth N site, N(13) is bonded in a single-bond geometry to one N(7,8,9,12) atom. In the seventh N site, N(14,15,16,17,18) is bonded in a single-bond geometry to one N(7,8,9,12) atom. The N(14,15,16,17,18)-N(7,8,9,12) bond length is 1.15 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(19) atom. In the second H site, H(2,3,4,5,6) is bonded in a single-bond geometry to one C(20,22,23) atom. In the third H site, H(7,8,10,11,12) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(13) is bonded in a single-bond geometry to one C(31) atom. In the sixth H site, H(14,15,16,17,18) is bonded in a single-bond geometry to one C(32,34,35,36) atom. There are twenty inequivalent O sites. In the first O site, O(13) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(43) atom. In the second O site, O(14) is bonded in a bent 120 degrees geometry to one Cu(1,4) and one C(44,45,46,47,48) atom. In the third O site, O(15) is bonded in a bent 120 degrees geometry to one Cu(2,5) and one C(44,45,46,47,48) atom. The O(15)-C(44,45,46,47,48) bond length is 1.28 Å. In the fourth O site, O(16) is bonded in a bent 120 degrees geometry to one Cu(6) and one C(44,45,46,47,48) atom. The O(16)-C(44,45,46,47,48) bond length is 1.28 Å. In the fifth O site, O(17) is bonded in a bent 120 degrees geometry to one Cu(1,4) and one C(44,45,46,47,48) atom. The O(17)-Cu(1,4) bond length is 1.96 Å. The O(17)-C(44,45,46,47,48) bond length is 1.28 Å. In the sixth O site, O(18) is bonded in a bent 120 degrees geometry to one Cu(2,5) and one C(44,45,46,47,48) atom. The O(18)-Cu(2,5) bond length is 1.96 Å. The O(18)-C(44,45,46,47,48) bond length is 1.28 Å. In the seventh O site, O(19) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(43) atom. In the eighth O site, O(20,23,24) is bonded in a bent 120 degrees geometry to one Cu(2,5) and one C(44,45,46,47,48) atom. In the ninth O site, O(21) is bonded in a bent 120 degrees geometry to one Cu(1,4) and one C(44,45,46,47,48) atom. The O(21)-C(44,45,46,47,48) bond length is 1.27 Å. In the tenth O site, O(22) is bonded in a bent 120 degrees geometry to one Cu(6) and one C(44,45,46,47,48) atom. The O(22)-C(44,45,46,47,48) bond length is 1.27 Å. In the eleventh O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1,4) and one C(37,40) atom. In the twelfth O site, O(2,4,5) is bonded in a bent 120 degrees geometry to one Cu(2,5) and one C(38,41) atom. In the thirteenth O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(39) atom. In the fourteenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Cu(2,5) and one C(37,40) atom. The O(10)-C(37,40) bond length is 1.29 Å. In the fifteenth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(6) and one C(42) atom. In the sixteenth O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Cu(2,5) and one C(37,40) atom. In the seventeenth O site, O(8) is bonded in a 3-coordinate geometry to two equivalent Cu(1,4) and one C(38,41) atom. In the eighteenth O site, O(9) is bonded in a 3-coordinate geometry to one Cu(3), one Cu(6), and one C(39) atom. In the nineteenth O site, O(11) is bonded in a 3-coordinate geometry to two equivalent Cu(1,4) and one C(38,41) atom. The O(11)-C(38,41) bond length is 1.29 Å. In the twentieth O site, O(12) is bonded in a 3-coordinate geometry to one Cu(3), one Cu(6), and one C(42) atom. Linkers: 12 [O]C(=O)c1cc(cc(c1)C(=O)[O])N=[N]=[N]. Metal clusters: 12 [Cu]. The MOF has largest included sphere 6.01 A, density 1.62 g/cm3, surface area 3327.62 m2/g, accessible volume 0.22 cm3/g