Cu6C48N15H24O16 crystallizes in the tetragonal I4/m space group. There are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to one O(1), one O(12), one O(3), and one O(7) atom. The Cu(1)-O(1) bond length is 1.93 Å. The Cu(1)-O(12) bond length is 1.99 Å. The Cu(1)-O(3) bond length is 1.96 Å. The Cu(1)-O(7) 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(11), one O(2), one O(4), and one O(6) atom. The Cu(2)-O(11) bond length is 1.96 Å. The Cu(2)-O(2) bond length is 1.99 Å. The Cu(2)-O(4) bond length is 1.94 Å. The Cu(2)-O(6) bond length is 1.93 Å. In the third Cu site, Cu(3) is bonded in a distorted T-shaped geometry to one N(12), one N(3), and one O(16) atom. The Cu(3)-N(12) bond length is 1.97 Å. The Cu(3)-N(3) bond length is 1.93 Å. The Cu(3)-O(16) bond length is 1.97 Å. In the fourth Cu site, Cu(4) is bonded in a distorted T-shaped geometry to one N(15), one N(7), and one O(16) atom. The Cu(4)-N(15) bond length is 1.93 Å. The Cu(4)-N(7) bond length is 1.91 Å. The Cu(4)-O(16) bond length is 2.02 Å. In the fifth Cu site, Cu(5) is bonded in an L-shaped geometry to one N(2), one N(6), and one O(16) atom. The Cu(5)-N(2) bond length is 1.97 Å. The Cu(5)-N(6) bond length is 1.95 Å. The Cu(5)-O(16) bond length is 1.96 Å. In the sixth Cu site, Cu(6) is bonded in a distorted square co-planar geometry to two equivalent O(13) and two equivalent O(8) atoms. Both Cu(6)-O(13) bond lengths are 1.92 Å. Both Cu(6)-O(8) bond lengths are 1.89 Å. In the seventh Cu site, Cu(7) is bonded in a distorted square co-planar geometry to two equivalent O(14) and two equivalent O(9) atoms. Both Cu(7)-O(14) bond lengths are 1.93 Å. Both Cu(7)-O(9) bond lengths are 1.99 Å. There are forty-eight inequivalent C sites. In the first C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(36), one O(11), and one O(12) atom. The C(33)-C(36) bond length is 1.51 Å. The C(33)-O(11) bond length is 1.25 Å. The C(33)-O(12) bond length is 1.28 Å. In the second C site, C(36) is bonded in a trigonal planar geometry to one C(33), one C(35), and one C(37) atom. The C(36)-C(35) bond length is 1.39 Å. The C(36)-C(37) bond length is 1.39 Å. In the third C site, C(37) is bonded in a distorted single-bond geometry to one C(36), one C(38), and one H(16) atom. The C(37)-C(38) bond length is 1.39 Å. The C(37)-H(16) bond length is 0.95 Å. In the fourth C site, C(39) is bonded in a distorted single-bond geometry to one C(38), one C(40), and one H(17) atom. The C(39)-C(38) bond length is 1.39 Å. The C(39)-C(40) bond length is 1.39 Å. The C(39)-H(17) bond length is 0.95 Å. In the fifth C site, C(40) is bonded in a trigonal planar geometry to one C(34), one C(35), and one C(39) atom. The C(40)-C(34) bond length is 1.49 Å. The C(40)-C(35) bond length is 1.39 Å. In the sixth C site, C(41) is bonded in a distorted bent 120 degrees geometry to one C(42), one N(11), and one O(15) atom. The C(41)-C(42) bond length is 1.51 Å. The C(41)-N(11) bond length is 1.31 Å. The C(41)-O(15) bond length is 1.28 Å. In the seventh C site, C(42) is bonded in a trigonal planar geometry to one C(41), one C(43), and one C(47) atom. The C(42)-C(43) bond length is 1.39 Å. The C(42)-C(47) bond length is 1.39 Å. In the eighth C site, C(44) is bonded in a distorted trigonal planar geometry to one C(43), one C(45), and one H(19) atom. The C(44)-C(43) bond length is 1.39 Å. The C(44)-C(45) bond length is 1.39 Å. The C(44)-H(19) bond length is 0.95 Å. In the ninth C site, C(45) is bonded in a distorted trigonal planar geometry to one C(44), one C(46), and one C(48) atom. The C(45)-C(46) bond length is 1.39 Å. The C(45)-C(48) bond length is 1.42 Å. In the tenth C site, C(38) is bonded in a distorted trigonal planar geometry to one C(37), one C(39), and one N(11) atom. The C(38)-N(11) bond length is 1.39 Å. In the eleventh C site, C(43) is bonded in a distorted single-bond geometry to one C(42), one C(44), and one H(18) atom. The C(43)-H(18) bond length is 0.95 Å. In the twelfth C site, C(46) is bonded in a distorted single-bond geometry to one C(45) and one H(20) atom. The C(46)-H(20) bond length is 0.95 Å. In the thirteenth C site, C(47) is bonded in a distorted single-bond geometry to one C(42) and one H(21) atom. The C(47)-H(21) bond length is 0.95 Å. In the fourteenth C site, C(48) is bonded in a distorted trigonal planar geometry to one C(45), one N(13), and one N(14) atom. The C(48)-N(13) bond length is 1.34 Å. The C(48)-N(14) bond length is 1.37 Å. In the fifteenth C site, C(34) is bonded in a distorted bent 120 degrees geometry to one C(40), one O(13), and one O(14) atom. The C(34)-O(13) bond length is 1.24 Å. The C(34)-O(14) bond length is 1.26 Å. In the sixteenth C site, C(35) is bonded in a distorted single-bond geometry to one C(36), one C(40), and one H(15) atom. The C(35)-H(15) bond length is 0.95 Å. In the seventeenth C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(3), and one O(4) atom. The C(1)-C(6) bond length is 1.51 Å. The C(1)-O(3) bond length is 1.23 Å. The C(1)-O(4) bond length is 1.27 Å. In the eighteenth C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(1), and one O(2) atom. The C(2)-C(4) bond length is 1.51 Å. The C(2)-O(1) bond length is 1.26 Å. The C(2)-O(2) bond length is 1.27 Å. In the nineteenth C site, C(3) is bonded in a distorted single-bond geometry to one C(4), one C(8), and one H(1) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-C(8) bond length is 1.39 Å. The C(3)-H(1) bond length is 0.95 Å. In the twentieth C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(5) atom. The C(4)-C(5) bond length is 1.39 Å. In the twenty-first C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(2) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-H(2) bond length is 0.95 Å. In the twenty-second C site, C(6) is bonded in a trigonal planar geometry to one C(1), one C(5), and one C(7) atom. The C(6)-C(7) bond length is 1.39 Å. In the twenty-third C site, C(7) is bonded in a distorted single-bond geometry to one C(6), one C(8), and one H(3) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-H(3) bond length is 0.95 Å. In the twenty-fourth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(3), one C(7), and one N(9) atom. The C(8)-N(9) bond length is 1.39 Å. In the twenty-fifth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one N(9), and one O(5) atom. The C(9)-C(10) bond length is 1.50 Å. The C(9)-N(9) bond length is 1.35 Å. The C(9)-O(5) bond length is 1.24 Å. In the twenty-sixth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one C(15), and one C(9) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-C(15) bond length is 1.39 Å. In the twenty-seventh C site, C(11) is bonded in a distorted single-bond geometry to one C(10), one C(12), and one H(4) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-H(4) bond length is 0.95 Å. In the twenty-eighth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one C(13), and one H(5) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-H(5) bond length is 0.95 Å. In the twenty-ninth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one C(16) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-C(16) bond length is 1.46 Å. In the thirtieth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one C(15), and one H(6) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-H(6) bond length is 0.95 Å. In the thirty-first C site, C(15) is bonded in a 1-coordinate geometry to one C(10), one C(14), and one H(7) atom. The C(15)-H(7) bond length is 0.95 Å. In the thirty-second C site, C(16) is bonded in a distorted trigonal planar geometry to one C(13), one N(1), and one N(4) atom. The C(16)-N(1) bond length is 1.32 Å. The C(16)-N(4) bond length is 1.38 Å. In the thirty-third C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(20), one O(6), and one O(7) atom. The C(17)-C(20) bond length is 1.51 Å. The C(17)-O(6) bond length is 1.27 Å. The C(17)-O(7) bond length is 1.24 Å. In the thirty-fourth C site, C(18) is bonded in a bent 120 degrees geometry to one C(24), one O(8), and one O(9) atom. The C(18)-C(24) bond length is 1.50 Å. The C(18)-O(8) bond length is 1.28 Å. The C(18)-O(9) bond length is 1.25 Å. In the thirty-fifth C site, C(19) is bonded in a distorted single-bond geometry to one C(20), one C(24), and one H(8) atom. The C(19)-C(20) bond length is 1.39 Å. The C(19)-C(24) bond length is 1.39 Å. The C(19)-H(8) bond length is 0.95 Å. In the thirty-sixth C site, C(20) is bonded in a trigonal planar geometry to one C(17), one C(19), and one C(21) atom. The C(20)-C(21) bond length is 1.39 Å. In the thirty-seventh C site, C(21) is bonded in a distorted single-bond geometry to one C(20) and one H(9) atom. The C(21)-H(9) bond length is 0.95 Å. In the thirty-eighth C site, C(22) is bonded in a distorted single-bond geometry to one N(10) atom. The C(22)-N(10) bond length is 1.40 Å. In the thirty-ninth C site, C(23) is bonded in a distorted single-bond geometry to one C(24) and one H(10) atom. The C(23)-C(24) bond length is 1.39 Å. The C(23)-H(10) bond length is 0.95 Å. In the fortieth C site, C(24) is bonded in a trigonal planar geometry to one C(18), one C(19), and one C(23) atom. In the forty-first C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(26), one N(10), and one O(10) atom. The C(25)-C(26) bond length is 1.51 Å. The C(25)-N(10) bond length is 1.32 Å. The C(25)-O(10) bond length is 1.24 Å. In the forty-second C site, C(26) is bonded in a distorted trigonal planar geometry to one C(25), one C(27), and one C(31) atom. The C(26)-C(27) bond length is 1.39 Å. The C(26)-C(31) bond length is 1.39 Å. In the forty-third C site, C(27) is bonded in a single-bond geometry to one C(26) and one H(11) atom. The C(27)-H(11) bond length is 0.95 Å. In the forty-fourth C site, C(28) is bonded in a distorted single-bond geometry to one C(29) and one H(12) atom. The C(28)-C(29) bond length is 1.39 Å. The C(28)-H(12) bond length is 0.95 Å. In the forty-fifth C site, C(29) is bonded in a distorted single-bond geometry to one C(28), one C(30), and one C(32) atom. The C(29)-C(30) bond length is 1.39 Å. The C(29)-C(32) bond length is 1.47 Å. In the forty-sixth C site, C(30) is bonded in a 1-coordinate geometry to one C(29), one C(31), and one H(13) atom. The C(30)-C(31) bond length is 1.39 Å. The C(30)-H(13) bond length is 0.95 Å. In the forty-seventh C site, C(31) is bonded in a distorted trigonal planar geometry to one C(26), one C(30), and one H(14) atom. The C(31)-H(14) bond length is 0.95 Å. In the forty-eighth C site, C(32) is bonded in a distorted trigonal planar geometry to one C(29), one N(5), and one N(8) atom. The C(32)-N(5) bond length is 1.39 Å. The C(32)-N(8) bond length is 1.35 Å. There are fifteen inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one C(16) and one N(2) atom. The N(1)-N(2) bond length is 1.31 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(5), one N(1), and one N(3) atom. The N(2)-N(3) bond length is 1.34 Å. In the third N site, N(3) is bonded in a distorted single-bond geometry to one Cu(3), one N(2), and one N(4) atom. The N(3)-N(4) bond length is 1.33 Å. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one C(16) and one N(3) atom. In the fifth N site, N(5) is bonded in a single-bond geometry to one C(32) and one N(6) atom. The N(5)-N(6) bond length is 1.34 Å. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Cu(5), one N(5), and one N(7) atom. The N(6)-N(7) bond length is 1.34 Å. In the seventh N site, N(7) is bonded in a distorted bent 120 degrees geometry to one Cu(4) and one N(6) atom. In the eighth N site, N(8) is bonded in a distorted single-bond geometry to one C(32) atom. In the ninth N site, N(9) is bonded in a distorted trigonal planar geometry to one C(8), one C(9), and one H(22) atom. The N(9)-H(22) bond length is 0.88 Å. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one C(22), one C(25), and one H(23) atom. The N(10)-H(23) bond length is 0.88 Å. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one C(38), one C(41), and one H(24) atom. The N(11)-H(24) bond length is 0.88 Å. In the twelfth N site, N(12) is bonded in a distorted trigonal planar geometry to one Cu(3), one N(13), and one N(15) atom. The N(12)-N(13) bond length is 1.32 Å. The N(12)-N(15) bond length is 1.33 Å. In the thirteenth N site, N(13) is bonded in a single-bond geometry to one C(48) and one N(12) atom. In the fourteenth N site, N(14) is bonded in a single-bond geometry to one C(48) and one N(15) atom. The N(14)-N(15) bond length is 1.31 Å. In the fifteenth N site, N(15) is bonded in a trigonal planar geometry to one Cu(4), one N(12), and one N(14) atom. There are twenty-four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(12) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(15) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(19) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(21) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(23) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(27) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(28) 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(31) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(35) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(37) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(39) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(43) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(44) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(46) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(47) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one N(9) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one N(10) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one N(11) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(9) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cu(2) and one C(17) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cu(1) and one C(17) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cu(6) and one C(18) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cu(7) and one C(18) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one C(25) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(33) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(33) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one Cu(6) and one C(34) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Cu(7) and one C(34) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one C(41) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one Cu(5) atom. Linkers: 15 [O]C(=O)c1cc(NC(=O)c2ccc(C3=N[N]N=N3)cc2)cc(C([O])=O)c1 ,9 [O]C(=O)c1cc(NC(=O)c2ccc(C3=NN=N[N]3)cc2)cc(C([O])=O)c1. Metal clusters: 12 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4 ,8 [N]1[N][Cu]2[N][N][Cu](N=N[Cu]1)O2. The MOF has largest included sphere 24.55 A, density 0.38 g/cm3, surface area 3817.03 m2/g, accessible volume 2.17 cm3/g