Cu2C14N6H14O7H2O crystallizes in the triclinic P1 space group. The structure consists of three water molecules inside a Cu2C14N6H14O7 framework. In the Cu2C14N6H14O7 framework, there are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square pyramidal geometry to one N(1), one N(7), one O(16), one O(19), and one O(5) atom. The Cu(1)-N(1) bond length is 1.97 Å. The Cu(1)-N(7) bond length is 1.97 Å. The Cu(1)-O(16) bond length is 2.04 Å. The Cu(1)-O(19) bond length is 2.49 Å. The Cu(1)-O(5) bond length is 1.98 Å. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one N(2), one N(8), one O(18), and one O(4) atom. The Cu(2)-N(2) bond length is 1.96 Å. The Cu(2)-N(8) bond length is 1.97 Å. The Cu(2)-O(18) bond length is 2.04 Å. The Cu(2)-O(4) bond length is 1.98 Å. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one N(3), one N(9), one O(17), and one O(6) atom. The Cu(3)-N(3) bond length is 1.97 Å. The Cu(3)-N(9) bond length is 1.96 Å. The Cu(3)-O(17) bond length is 2.03 Å. The Cu(3)-O(6) bond length is 1.98 Å. In the fourth Cu site, Cu(4) is bonded in a distorted square pyramidal geometry to one N(10), one N(4), one O(13), one O(2), and one O(22) atom. The Cu(4)-N(10) bond length is 1.97 Å. The Cu(4)-N(4) bond length is 1.97 Å. The Cu(4)-O(13) bond length is 2.04 Å. The Cu(4)-O(2) bond length is 1.98 Å. The Cu(4)-O(22) bond length is 2.52 Å. In the fifth Cu site, Cu(5) is bonded in a distorted rectangular see-saw-like geometry to one N(11), one N(5), one O(1), and one O(15) atom. The Cu(5)-N(11) bond length is 1.96 Å. The Cu(5)-N(5) bond length is 1.97 Å. The Cu(5)-O(1) bond length is 1.98 Å. The Cu(5)-O(15) bond length is 2.03 Å. In the sixth Cu site, Cu(6) is bonded in a distorted square pyramidal geometry to one N(12), one N(6), one O(14), one O(24), and one O(3) atom. The Cu(6)-N(12) bond length is 1.97 Å. The Cu(6)-N(6) bond length is 1.97 Å. The Cu(6)-O(14) bond length is 2.04 Å. The Cu(6)-O(24) bond length is 2.46 Å. The Cu(6)-O(3) bond length is 1.98 Å. There are forty-two inequivalent C sites. In the first C site, C(1) is bonded in a distorted water-like geometry to one N(1) and one H(7,12) atom. The C(1)-N(1) bond length is 1.45 Å. The C(1)-H(7,12) bond length is 1.10 Å. In the second C site, C(2) is bonded in a distorted water-like geometry to one N(2) and one H(8,10) atom. The C(2)-N(2) bond length is 1.45 Å. The C(2)-H(8,10) bond length is 1.10 Å. In the third C site, C(3) is bonded in a distorted water-like geometry to one N(3) and one H(9,11) atom. The C(3)-N(3) bond length is 1.45 Å. The C(3)-H(9,11) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a distorted water-like geometry to one N(4) and one H(8,10) atom. The C(4)-N(4) bond length is 1.45 Å. The C(4)-H(8,10) bond length is 1.10 Å. In the fifth C site, C(5) is bonded in a distorted water-like geometry to one N(5) and one H(9,11) atom. The C(5)-N(5) bond length is 1.45 Å. The C(5)-H(9,11) bond length is 1.10 Å. In the sixth C site, C(6) is bonded in a distorted water-like geometry to one N(6) and one H(7,12) atom. The C(6)-N(6) bond length is 1.45 Å. The C(6)-H(7,12) bond length is 1.10 Å. In the seventh C site, C(7) is bonded in a distorted water-like geometry to one C(13); one H(13,18); and one H(19,24) atom. The C(7)-C(13) bond length is 1.48 Å. The C(7)-H(13,18) bond length is 1.10 Å. The C(7)-H(19,24) bond length is 1.10 Å. In the eighth C site, C(8) is bonded in a distorted water-like geometry to one C(14), one H(14), and one H(20) atom. The C(8)-C(14) bond length is 1.49 Å. The C(8)-H(14) bond length is 1.10 Å. The C(8)-H(20) bond length is 1.10 Å. In the ninth C site, C(9) is bonded in a distorted water-like geometry to one C(15), one H(15), and one H(21) atom. The C(9)-C(15) bond length is 1.48 Å. The C(9)-H(15) bond length is 1.10 Å. The C(9)-H(21) bond length is 1.10 Å. In the tenth C site, C(10) is bonded in a distorted water-like geometry to one C(16), one H(16), and one H(22) atom. The C(10)-C(16) bond length is 1.49 Å. The C(10)-H(16) bond length is 1.10 Å. The C(10)-H(22) bond length is 1.10 Å. In the eleventh C site, C(11) is bonded in a distorted water-like geometry to one C(17), one H(17), and one H(23) atom. The C(11)-C(17) bond length is 1.48 Å. The C(11)-H(17) bond length is 1.10 Å. The C(11)-H(23) bond length is 1.10 Å. In the twelfth C site, C(12) is bonded in a distorted water-like geometry to one C(18); one H(13,18); and one H(19,24) atom. The C(12)-C(18) bond length is 1.48 Å. The C(12)-H(13,18) bond length is 1.10 Å. The C(12)-H(19,24) bond length is 1.10 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(19), one C(7), and one N(7) atom. The C(13)-C(19) bond length is 1.38 Å. The C(13)-N(7) bond length is 1.38 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(20), one C(8), and one N(8) atom. The C(14)-C(20) bond length is 1.38 Å. The C(14)-N(8) bond length is 1.38 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(21), one C(9), and one N(9) atom. The C(15)-C(21) bond length is 1.38 Å. The C(15)-N(9) bond length is 1.38 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(10), one C(22), and one N(10) atom. The C(16)-C(22) bond length is 1.38 Å. The C(16)-N(10) bond length is 1.38 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(11), one C(23), and one N(11) atom. The C(17)-C(23) bond length is 1.38 Å. The C(17)-N(11) bond length is 1.38 Å. In the eighteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(12), one C(24), and one N(12) atom. The C(18)-C(24) bond length is 1.38 Å. The C(18)-N(12) bond length is 1.38 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(13), and one H(25) atom. The C(19)-N(13) bond length is 1.38 Å. The C(19)-H(25) bond length is 1.09 Å. In the twentieth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(14), one N(14), and one H(26) atom. The C(20)-N(14) bond length is 1.38 Å. The C(20)-H(26) bond length is 1.08 Å. In the twenty-first C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(15); one N(15); and one H(27,30) atom. The C(21)-N(15) bond length is 1.38 Å. The C(21)-H(27,30) bond length is 1.09 Å. In the twenty-second C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(16), and one H(28) atom. The C(22)-N(16) bond length is 1.38 Å. The C(22)-H(28) bond length is 1.08 Å. In the twenty-third C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(17), one N(17), and one H(29) atom. The C(23)-N(17) bond length is 1.38 Å. The C(23)-H(29) bond length is 1.08 Å. In the twenty-fourth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one C(18); one N(18); and one H(27,30) atom. The C(24)-N(18) bond length is 1.38 Å. The C(24)-H(27,30) bond length is 1.09 Å. In the twenty-fifth C site, C(25) is bonded in a trigonal planar geometry to one N(13), one N(7), and one H(31) atom. The C(25)-N(13) bond length is 1.35 Å. The C(25)-N(7) bond length is 1.33 Å. The C(25)-H(31) bond length is 1.08 Å. In the twenty-sixth C site, C(26) is bonded in a trigonal planar geometry to one N(14), one N(8), and one H(32) atom. The C(26)-N(14) bond length is 1.35 Å. The C(26)-N(8) bond length is 1.33 Å. The C(26)-H(32) bond length is 1.08 Å. In the twenty-seventh C site, C(27) is bonded in a trigonal planar geometry to one N(15), one N(9), and one H(33) atom. The C(27)-N(15) bond length is 1.35 Å. The C(27)-N(9) bond length is 1.34 Å. The C(27)-H(33) bond length is 1.08 Å. In the twenty-eighth C site, C(28) is bonded in a trigonal planar geometry to one N(10), one N(16), and one H(34) atom. The C(28)-N(10) bond length is 1.33 Å. The C(28)-N(16) bond length is 1.35 Å. The C(28)-H(34) bond length is 1.08 Å. In the twenty-ninth C site, C(29) is bonded in a trigonal planar geometry to one N(11), one N(17), and one H(35) atom. The C(29)-N(11) bond length is 1.33 Å. The C(29)-N(17) bond length is 1.35 Å. The C(29)-H(35) bond length is 1.08 Å. In the thirtieth C site, C(30) is bonded in a trigonal planar geometry to one N(12), one N(18), and one H(36) atom. The C(30)-N(12) bond length is 1.33 Å. The C(30)-N(18) bond length is 1.35 Å. The C(30)-H(36) bond length is 1.08 Å. In the thirty-first C site, C(31) is bonded in a distorted bent 120 degrees geometry to one N(1) and one O(13) atom. The C(31)-N(1) bond length is 1.32 Å. The C(31)-O(13) bond length is 1.28 Å. In the thirty-second C site, C(32) is bonded in a distorted bent 120 degrees geometry to one N(2) and one O(14) atom. The C(32)-N(2) bond length is 1.32 Å. The C(32)-O(14) bond length is 1.28 Å. In the thirty-third C site, C(33) is bonded in a distorted bent 120 degrees geometry to one N(3) and one O(15) atom. The C(33)-N(3) bond length is 1.32 Å. The C(33)-O(15) bond length is 1.28 Å. In the thirty-fourth C site, C(34) is bonded in a distorted bent 120 degrees geometry to one N(4) and one O(16) atom. The C(34)-N(4) bond length is 1.32 Å. The C(34)-O(16) bond length is 1.29 Å. In the thirty-fifth C site, C(35) is bonded in a distorted bent 120 degrees geometry to one N(5) and one O(17) atom. The C(35)-N(5) bond length is 1.32 Å. The C(35)-O(17) bond length is 1.28 Å. In the thirty-sixth C site, C(36) is bonded in a distorted bent 120 degrees geometry to one N(6) and one O(18) atom. The C(36)-N(6) bond length is 1.32 Å. The C(36)-O(18) bond length is 1.29 Å. In the thirty-seventh C site, C(37) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(7) atom. The C(37)-O(1) bond length is 1.28 Å. The C(37)-O(7) bond length is 1.27 Å. In the thirty-eighth C site, C(38) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(8) atom. The C(38)-O(2) bond length is 1.28 Å. The C(38)-O(8) bond length is 1.27 Å. In the thirty-ninth C site, C(39) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(9) atom. The C(39)-O(3) bond length is 1.28 Å. The C(39)-O(9) bond length is 1.26 Å. In the fortieth C site, C(40) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(4) atom. The C(40)-O(10) bond length is 1.27 Å. The C(40)-O(4) bond length is 1.28 Å. In the forty-first C site, C(41) is bonded in a distorted bent 120 degrees geometry to one O(11) and one O(5) atom. The C(41)-O(11) bond length is 1.26 Å. The C(41)-O(5) bond length is 1.28 Å. In the forty-second C site, C(42) is bonded in a distorted bent 120 degrees geometry to one O(12) and one O(6) atom. The C(42)-O(12) bond length is 1.27 Å. The C(42)-O(6) bond length is 1.28 Å. There are eighteen inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(31) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(2), and one C(32) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(3), one C(3), and one C(33) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(4), one C(34), and one C(4) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(5), one C(35), and one C(5) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cu(6), one C(36), and one C(6) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Cu(1), one C(13), and one C(25) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Cu(2), one C(14), and one C(26) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Cu(3), one C(15), and one C(27) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Cu(4), one C(16), and one C(28) atom. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Cu(5), one C(17), and one C(29) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Cu(6), one C(18), and one C(30) atom. In the thirteenth N site, N(13) is bonded in a distorted trigonal planar geometry to one C(19), one C(25), and one H(1) atom. The N(13)-H(1) bond length is 1.04 Å. In the fourteenth N site, N(14) is bonded in a distorted trigonal planar geometry to one C(20), one C(26), and one H(2) atom. The N(14)-H(2) bond length is 1.04 Å. In the fifteenth N site, N(15) is bonded in a distorted trigonal planar geometry to one C(21), one C(27), and one H(3) atom. The N(15)-H(3) bond length is 1.04 Å. In the sixteenth N site, N(16) is bonded in a distorted trigonal planar geometry to one C(22), one C(28), and one H(4) atom. The N(16)-H(4) bond length is 1.04 Å. In the seventeenth N site, N(17) is bonded in a distorted trigonal planar geometry to one C(23), one C(29), and one H(5) atom. The N(17)-H(5) bond length is 1.04 Å. In the eighteenth N site, N(18) is bonded in a distorted trigonal planar geometry to one C(24), one C(30), and one H(6) atom. The N(18)-H(6) bond length is 1.04 Å. There are thirty-six inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one N(13) and one O(12) atom. The H(1)-O(12) bond length is 1.69 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one N(14) and one O(11) atom. The H(2)-O(11) bond length is 1.70 Å. In the third H site, H(3) is bonded in a distorted single-bond geometry to one N(15) and one O(10) atom. The H(3)-O(10) bond length is 1.69 Å. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one N(16) and one O(9) atom. The H(4)-O(9) bond length is 1.69 Å. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one N(17) and one O(8) atom. The H(5)-O(8) bond length is 1.69 Å. In the sixth H site, H(6) is bonded in a distorted single-bond geometry to one N(18) and one O(7) atom. The H(6)-O(7) bond length is 1.69 Å. In the seventh H site, H(7,12) is bonded in a single-bond geometry to one C(1) atom. In the eighth H site, H(8,10) is bonded in a single-bond geometry to one C(2) atom. In the ninth H site, H(9,11) is bonded in a single-bond geometry to one C(3) atom. In the tenth H site, H(13,18) is bonded in a single-bond geometry to one C(7) atom. In the eleventh H site, H(14) is bonded in a single-bond geometry to one C(8) atom. In the twelfth H site, H(15) is bonded in a single-bond geometry to one C(9) atom. In the thirteenth H site, H(16) is bonded in a single-bond geometry to one C(10) atom. In the fourteenth H site, H(17) is bonded in a single-bond geometry to one C(11) atom. In the fifteenth H site, H(19,24) is bonded in a single-bond geometry to one C(7) atom. In the sixteenth H site, H(20) is bonded in a single-bond geometry to one C(8) atom. In the seventeenth H site, H(21) is bonded in a single-bond geometry to one C(9) atom. In the eighteenth H site, H(22) is bonded in a single-bond geometry to one C(10) atom. In the nineteenth H site, H(23) is bonded in a single-bond geometry to one C(11) atom. In the twentieth H site, H(25) is bonded in a single-bond geometry to one C(19) atom. In the twenty-first H site, H(26) is bonded in a single-bond geometry to one C(20) atom. In the twenty-second H site, H(27,30) is bonded in a single-bond geometry to one C(21) atom. In the twenty-third H site, H(28) is bonded in a single-bond geometry to one C(22) atom. In the twenty-fourth H site, H(29) is bonded in a single-bond geometry to one C(23) atom. In the twenty-fifth H site, H(31) is bonded in a single-bond geometry to one C(25) atom. In the twenty-sixth H site, H(32) is bonded in a single-bond geometry to one C(26) atom. In the twenty-seventh H site, H(33) is bonded in a single-bond geometry to one C(27) atom. In the twenty-eighth H site, H(34) is bonded in a single-bond geometry to one C(28) atom. In the twenty-ninth H site, H(35) is bonded in a single-bond geometry to one C(29) atom. In the thirtieth H site, H(36) is bonded in a single-bond geometry to one C(30) atom. In the thirty-first H site, H(37) is bonded in a single-bond geometry to one O(19) atom. The H(37)-O(19) bond length is 0.98 Å. In the thirty-second H site, H(40) is bonded in a single-bond geometry to one O(22) atom. The H(40)-O(22) bond length is 0.98 Å. In the thirty-third H site, H(42) is bonded in a single-bond geometry to one O(24) atom. The H(42)-O(24) bond length is 0.98 Å. In the thirty-fourth H site, H(43) is bonded in a single-bond geometry to one O(19) atom. The H(43)-O(19) bond length is 0.98 Å. In the thirty-fifth H site, H(46) is bonded in a single-bond geometry to one O(22) atom. The H(46)-O(22) bond length is 0.98 Å. In the thirty-sixth H site, H(48) is bonded in a single-bond geometry to one O(24) atom. The H(48)-O(24) bond length is 0.97 Å. There are twenty-one inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Cu(5) and one C(37) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(38) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(6) and one C(39) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(40) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(41) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Cu(3) and one C(42) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one C(37) and one H(6) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one C(38) and one H(5) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one C(39) and one H(4) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one C(40) and one H(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one C(41) and one H(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one C(42) and one H(1) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Cu(4) and one C(31) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Cu(6) and one C(32) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Cu(5) and one C(33) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one Cu(1) and one C(34) atom. In the seventeenth O site, O(17) is bonded in a water-like geometry to one Cu(3) and one C(35) atom. In the eighteenth O site, O(18) is bonded in a water-like geometry to one Cu(2) and one C(36) atom. In the nineteenth O site, O(19) is bonded in a water-like geometry to one Cu(1), one H(37), and one H(43) atom. In the twentieth O site, O(22) is bonded in a water-like geometry to one Cu(4), one H(40), and one H(46) atom. In the twenty-first O site, O(24) is bonded in a distorted water-like geometry to one Cu(6), one H(42), and one H(48) atom. Linkers: 3 [O]C(=O)[C@H](Cc1c[nH]cn1)[N]C(=O)C(=O)[N][C@@H](Cc1c[nH]cn1)C([O])=O. Metal clusters: 6 [Cu]. The MOF has largest included sphere 3.17 A, density 1.80 g/cm3, surface area 3725.03 m2/g, accessible volume 0.15 cm3/g