CuC18N3H9O4 is Copper structured and crystallizes in the tetragonal I4/m space group. The structure is zero-dimensional and consists of two CuC18N3H9O4 clusters. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), one O(6), and one O(8) atom. The Cu(1)-O(2) bond length is 1.94 Å. The Cu(1)-O(3) bond length is 1.94 Å. The Cu(1)-O(6) bond length is 1.95 Å. The Cu(1)-O(8) bond length is 1.96 Å. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(4), one O(5), and one O(9) atom. The Cu(2)-O(12) bond length is 1.96 Å. The Cu(2)-O(4) bond length is 1.94 Å. The Cu(2)-O(5) bond length is 1.96 Å. The Cu(2)-O(9) bond length is 1.94 Å. In the third Cu site, Cu(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(10) atoms. Both Cu(3)-O(1) bond lengths are 1.94 Å. Both Cu(3)-O(10) bond lengths are 1.94 Å. In the fourth Cu site, Cu(4) is bonded in a distorted square co-planar geometry to two equivalent O(11) and two equivalent O(7) atoms. Both Cu(4)-O(11) bond lengths are 1.95 Å. Both Cu(4)-O(7) bond lengths are 1.96 Å. There are fifty-four inequivalent C sites. In the first C site, C(28) is bonded in a distorted trigonal planar geometry to one C(13), one C(23), and one H(16) atom. The C(28)-C(13) bond length is 1.39 Å. The C(28)-C(23) bond length is 1.34 Å. The C(28)-H(16) bond length is 0.95 Å. In the second C site, C(30) is bonded in a distorted trigonal planar geometry to one C(16), one C(35), and one H(13) atom. The C(30)-C(16) bond length is 1.39 Å. The C(30)-C(35) bond length is 1.33 Å. The C(30)-H(13) bond length is 0.95 Å. In the third C site, C(29) is bonded in a trigonal planar geometry to one C(14), one C(49), and one C(9) atom. The C(29)-C(14) bond length is 1.51 Å. The C(29)-C(49) bond length is 1.35 Å. The C(29)-C(9) bond length is 1.40 Å. In the fourth C site, C(27) is bonded in a distorted trigonal planar geometry to one C(35), one C(39), and one H(24) atom. The C(27)-C(35) bond length is 1.45 Å. The C(27)-C(39) bond length is 1.42 Å. The C(27)-H(24) bond length is 0.95 Å. In the fifth C site, C(31) is bonded in a distorted trigonal planar geometry to one C(45), one C(54), and one H(11) atom. The C(31)-C(45) bond length is 1.30 Å. The C(31)-C(54) bond length is 1.43 Å. The C(31)-H(11) bond length is 0.95 Å. In the sixth C site, C(32) is bonded in a distorted single-bond geometry to one C(43) and one H(15) atom. The C(32)-C(43) bond length is 1.36 Å. The C(32)-H(15) bond length is 0.95 Å. In the seventh C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(53), one N(6), and one H(10) atom. The C(33)-C(53) bond length is 1.33 Å. The C(33)-N(6) bond length is 1.31 Å. The C(33)-H(10) bond length is 0.95 Å. In the eighth C site, C(34) is bonded in a trigonal planar geometry to one C(16), one C(39), and one C(7) atom. The C(34)-C(16) bond length is 1.35 Å. The C(34)-C(39) bond length is 1.40 Å. The C(34)-C(7) bond length is 1.52 Å. In the ninth C site, C(35) is bonded in a distorted trigonal planar geometry to one C(27), one C(30), and one C(53) atom. The C(35)-C(53) bond length is 1.48 Å. In the tenth C site, C(36) is bonded in a distorted bent 120 degrees geometry to one C(51), one O(6), and one O(9) atom. The C(36)-C(51) bond length is 1.54 Å. The C(36)-O(6) bond length is 1.27 Å. The C(36)-O(9) bond length is 1.24 Å. In the eleventh C site, C(37) is bonded in a trigonal planar geometry to one C(45), one C(48), and one C(9) atom. The C(37)-C(45) bond length is 1.43 Å. The C(37)-C(48) bond length is 1.41 Å. The C(37)-C(9) bond length is 1.35 Å. In the twelfth C site, C(38) is bonded in a distorted single-bond geometry to one N(3) atom. The C(38)-N(3) bond length is 1.43 Å. In the thirteenth C site, C(39) is bonded in a distorted single-bond geometry to one C(27), one C(34), and one H(20) atom. The C(39)-H(20) bond length is 0.95 Å. In the fourteenth C site, C(40) is bonded in a bent 120 degrees geometry to one C(24), one O(10), and one O(11) atom. The C(40)-C(24) bond length is 1.49 Å. The C(40)-O(10) bond length is 1.25 Å. The C(40)-O(11) bond length is 1.29 Å. In the fifteenth C site, C(41) is bonded in a bent 120 degrees geometry to one C(2), one O(12), and one O(3) atom. The C(41)-C(2) bond length is 1.49 Å. The C(41)-O(12) bond length is 1.27 Å. The C(41)-O(3) bond length is 1.27 Å. In the sixteenth C site, C(42) is bonded in a distorted single-bond geometry to one C(10), one C(24), and one H(6) atom. The C(42)-C(10) bond length is 1.42 Å. The C(42)-C(24) bond length is 1.37 Å. The C(42)-H(6) bond length is 0.95 Å. In the seventeenth C site, C(43) is bonded in a trigonal planar geometry to one C(15), one C(32), and one C(50) atom. The C(43)-C(15) bond length is 1.38 Å. The C(43)-C(50) bond length is 1.51 Å. In the eighteenth C site, C(44) is bonded in a distorted trigonal planar geometry to one C(23), one C(6), and one N(4) atom. The C(44)-C(23) bond length is 1.52 Å. The C(44)-C(6) bond length is 1.34 Å. The C(44)-N(4) bond length is 1.31 Å. In the nineteenth C site, C(45) is bonded in a trigonal planar geometry to one C(18), one C(31), and one C(37) atom. The C(45)-C(18) bond length is 1.37 Å. In the twentieth C site, C(46) is bonded in a distorted trigonal planar geometry to one C(11), one C(23), and one H(17) atom. The C(46)-C(11) bond length is 1.38 Å. The C(46)-C(23) bond length is 1.27 Å. The C(46)-H(17) bond length is 0.95 Å. In the twenty-first C site, C(47) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(2), and one H(27) atom. The C(47)-C(8) bond length is 1.29 Å. The C(47)-N(2) bond length is 1.34 Å. The C(47)-H(27) bond length is 0.95 Å. In the twenty-second C site, C(48) is bonded in a single-bond geometry to one C(37), one C(7), and one H(18) atom. The C(48)-C(7) bond length is 1.34 Å. The C(48)-H(18) bond length is 0.95 Å. In the twenty-third C site, C(49) is bonded in a distorted single-bond geometry to one C(29), one C(7), and one H(26) atom. The C(49)-C(7) bond length is 1.45 Å. The C(49)-H(26) bond length is 0.95 Å. In the twenty-fourth C site, C(50) is bonded in a bent 120 degrees geometry to one C(43), one O(1), and one O(7) atom. The C(50)-O(1) bond length is 1.23 Å. The C(50)-O(7) bond length is 1.27 Å. In the twenty-fifth C site, C(51) is bonded in a trigonal planar geometry to one C(3), one C(36), and one C(5) atom. The C(51)-C(3) bond length is 1.38 Å. The C(51)-C(5) bond length is 1.41 Å. In the twenty-sixth C site, C(52) is bonded in a bent 120 degrees geometry to one C(10), one O(2), and one O(4) atom. The C(52)-C(10) bond length is 1.50 Å. The C(52)-O(2) bond length is 1.27 Å. The C(52)-O(4) bond length is 1.27 Å. In the twenty-seventh C site, C(54) is bonded in a distorted trigonal planar geometry to one C(1), one C(31), and one H(14) atom. The C(54)-C(1) bond length is 1.27 Å. The C(54)-H(14) bond length is 0.95 Å. In the twenty-eighth C site, C(53) is bonded in a distorted trigonal planar geometry to one C(33), one C(35), and one N(9) atom. The C(53)-N(9) bond length is 1.31 Å. In the twenty-ninth C site, C(1) is bonded in a trigonal planar geometry to one C(22), one C(54), and one C(8) atom. The C(1)-C(22) bond length is 1.34 Å. The C(1)-C(8) bond length is 1.47 Å. In the thirtieth C site, C(2) is bonded in a trigonal planar geometry to one C(12), one C(15), and one C(41) atom. The C(2)-C(12) bond length is 1.37 Å. The C(2)-C(15) bond length is 1.41 Å. In the thirty-first C site, C(3) is bonded in a distorted single-bond geometry to one C(17), one C(51), and one H(7) atom. The C(3)-C(17) bond length is 1.40 Å. The C(3)-H(7) bond length is 0.95 Å. In the thirty-second C site, C(4) is bonded in a distorted single-bond geometry to one C(24) and one H(4) atom. The C(4)-C(24) bond length is 1.36 Å. The C(4)-H(4) bond length is 0.95 Å. In the thirty-third C site, C(5) is bonded in a distorted single-bond geometry to one C(19), one C(51), and one H(5) atom. The C(5)-C(19) bond length is 1.40 Å. The C(5)-H(5) bond length is 0.95 Å. In the thirty-fourth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(44), one N(3), and one H(12) atom. The C(6)-N(3) bond length is 1.24 Å. The C(6)-H(12) bond length is 0.95 Å. In the thirty-fifth C site, C(7) is bonded in a trigonal planar geometry to one C(34), one C(48), and one C(49) atom. In the thirty-sixth C site, C(8) is bonded in a 3-coordinate geometry to one C(1), one C(47), and one N(5) atom. The C(8)-N(5) bond length is 1.32 Å. In the thirty-seventh C site, C(9) is bonded in a distorted trigonal planar geometry to one C(29), one C(37), and one H(9) atom. The C(9)-H(9) bond length is 0.95 Å. In the thirty-eighth C site, C(10) is bonded in a trigonal planar geometry to one C(25), one C(42), and one C(52) atom. The C(10)-C(25) bond length is 1.37 Å. In the thirty-ninth C site, C(11) is bonded in a 3-coordinate geometry to one C(14), one C(46), and one H(2) atom. The C(11)-C(14) bond length is 1.34 Å. The C(11)-H(2) bond length is 0.95 Å. In the fortieth C site, C(12) is bonded in a distorted single-bond geometry to one C(2) and one H(23) atom. The C(12)-H(23) bond length is 0.95 Å. In the forty-first C site, C(13) is bonded in a 1-coordinate geometry to one C(14), one C(28), and one H(3) atom. The C(13)-C(14) bond length is 1.41 Å. The C(13)-H(3) bond length is 0.95 Å. In the forty-second C site, C(14) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(29) atom. In the forty-third C site, C(15) is bonded in a distorted single-bond geometry to one C(2), one C(43), and one H(22) atom. The C(15)-H(22) bond length is 0.95 Å. In the forty-fourth C site, C(16) is bonded in a distorted single-bond geometry to one C(30), one C(34), and one H(21) atom. The C(16)-H(21) bond length is 0.95 Å. In the forty-fifth C site, C(17) is bonded in a trigonal planar geometry to one C(21), one C(26), and one C(3) atom. The C(17)-C(21) bond length is 1.39 Å. The C(17)-C(26) bond length is 1.46 Å. In the forty-sixth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(22), one C(45), and one H(8) atom. The C(18)-C(22) bond length is 1.33 Å. The C(18)-H(8) bond length is 0.95 Å. In the forty-seventh C site, C(19) is bonded in a distorted trigonal planar geometry to one C(21), one C(5), and one N(6) atom. The C(19)-C(21) bond length is 1.37 Å. The C(19)-N(6) bond length is 1.42 Å. In the forty-eighth C site, C(20) is bonded in a single-bond geometry to one N(2) atom. The C(20)-N(2) bond length is 1.46 Å. In the forty-ninth C site, C(21) is bonded in a distorted single-bond geometry to one C(17), one C(19), and one H(19) atom. The C(21)-H(19) bond length is 0.95 Å. In the fiftieth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(1), one C(18), and one H(1) atom. The C(22)-H(1) bond length is 0.95 Å. In the fifty-first C site, C(23) is bonded in a trigonal planar geometry to one C(28), one C(44), and one C(46) atom. In the fifty-second C site, C(24) is bonded in a trigonal planar geometry to one C(4), one C(40), and one C(42) atom. In the fifty-third C site, C(25) is bonded in a distorted single-bond geometry to one C(10) and one H(25) atom. The C(25)-H(25) bond length is 0.95 Å. In the fifty-fourth C site, C(26) is bonded in a bent 120 degrees geometry to one C(17), one O(5), and one O(8) atom. The C(26)-O(5) bond length is 1.27 Å. The C(26)-O(8) bond length is 1.26 Å. There are nine inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one N(6) atom. The N(1)-N(6) bond length is 1.33 Å. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one C(20), one C(47), and one N(7) atom. The N(2)-N(7) bond length is 1.31 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one C(38), one C(6), and one N(8) atom. The N(3)-N(8) bond length is 1.29 Å. In the fourth N site, N(4) is bonded in a single-bond geometry to one C(44) and one N(8) atom. The N(4)-N(8) bond length is 1.27 Å. In the fifth N site, N(5) is bonded in a single-bond geometry to one C(8) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one C(19), one C(33), and one N(1) atom. In the seventh N site, N(7) is bonded in a distorted single-bond geometry to one N(2) atom. In the eighth N site, N(8) is bonded in a water-like geometry to one N(3) and one N(4) atom. In the ninth N site, N(9) is bonded in a single-bond geometry to one C(53) atom. There are twenty-seven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(22) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(11) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(13) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(42) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(18) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(33) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(31) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(6) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(30) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(54) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(32) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(28) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(46) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(48) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(21) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(39) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(16) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(15) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(12) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one C(27) atom. In the twenty-fifth H site, H(25) is bonded in a single-bond geometry to one C(25) atom. In the twenty-sixth H site, H(26) is bonded in a single-bond geometry to one C(49) atom. In the twenty-seventh H site, H(27) is bonded in a single-bond geometry to one C(47) atom. There are twelve inequivalent O sites. In the first O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(36) atom. In the second O site, O(10) is bonded in a distorted single-bond geometry to one Cu(3) and one C(40) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Cu(3) and one C(50) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Cu(1) and one C(52) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(41) atom. In the sixth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(52) atom. In the seventh O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(26) atom. In the eighth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(36) atom. In the ninth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(4) and one C(50) atom. In the tenth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(26) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cu(4) and one C(40) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Cu(2) and one C(41) atom. Linkers: 8 [O]C(=O)c1cc(C([O])=O)cc(-n2cc(-c3ccc(-c4cc(-c5ccc(-c6cn(-c7cc(C([O])=O)cc(C([O])=O)c7)nn6)cc5)cc(-c5ccc(-c6cn(-c7cc(C([O])=O)cc(C([O])=O)c7)nn6)cc5)c4)cc3)nn2)c1. Metal clusters: 12 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. The MOF has largest included sphere 22.32 A, density 0.43 g/cm3, surface area 4215.00 m2/g, accessible volume 1.93 cm3/g