Cu4C40N12H26O19 crystallizes in the triclinic P-1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square pyramidal geometry to one N(2), one O(1), one O(11), one O(5), and one O(6) atom. The Cu(1)-N(2) bond length is 2.15 Å. The Cu(1)-O(1) bond length is 1.98 Å. The Cu(1)-O(11) bond length is 2.07 Å. The Cu(1)-O(5) bond length is 1.97 Å. The Cu(1)-O(6) bond length is 1.98 Å. In the second Cu site, Cu(2) is bonded in a square pyramidal geometry to one N(10), one O(14), one O(4), one O(7), and one O(8) atom. The Cu(2)-N(10) bond length is 2.18 Å. The Cu(2)-O(14) 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 2.01 Å. The Cu(2)-O(8) bond length is 1.97 Å. In the third Cu site, Cu(3) is bonded in a distorted trigonal bipyramidal geometry to one N(6), one O(10), one O(17), one O(19), and one O(2) atom. The Cu(3)-N(6) bond length is 2.03 Å. The Cu(3)-O(10) bond length is 1.95 Å. The Cu(3)-O(17) bond length is 2.26 Å. The Cu(3)-O(19) bond length is 2.07 Å. The Cu(3)-O(2) bond length is 1.94 Å. In the fourth Cu site, Cu(4) is bonded in a rectangular see-saw-like geometry to one N(4), one O(18), one O(3), and one O(9) atom. The Cu(4)-N(4) bond length is 2.02 Å. The Cu(4)-O(18) bond length is 1.96 Å. The Cu(4)-O(3) bond length is 1.96 Å. The Cu(4)-O(9) bond length is 1.95 Å. There are forty inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(12), one C(4), and one H(1) atom. The C(1)-C(12) bond length is 1.40 Å. The C(1)-C(4) bond length is 1.40 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(3), one C(7), and one H(2) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-C(7) bond length is 1.40 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(8), and one N(5) atom. The C(3)-C(8) bond length is 1.40 Å. The C(3)-N(5) bond length is 1.42 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(1), one C(11), and one N(3) atom. The C(4)-C(11) bond length is 1.39 Å. The C(4)-N(3) bond length is 1.43 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(19), one N(3), and one H(3) atom. The C(5)-C(19) bond length is 1.38 Å. The C(5)-N(3) bond length is 1.36 Å. The C(5)-H(3) bond length is 1.08 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(21), one O(6), and one O(8) atom. The C(6)-C(21) bond length is 1.49 Å. The C(6)-O(6) bond length is 1.27 Å. The C(6)-O(8) bond length is 1.28 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(15), one C(2), and one C(26) atom. The C(7)-C(15) bond length is 1.39 Å. The C(7)-C(26) bond length is 1.50 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(3), one C(33), and one H(4) atom. The C(8)-C(33) bond length is 1.39 Å. The C(8)-H(4) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(34), one C(37), and one H(5) atom. The C(9)-C(34) bond length is 1.39 Å. The C(9)-C(37) bond length is 1.39 Å. The C(9)-H(5) bond length is 1.08 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(15), and one O(2) atom. The C(10)-C(12) bond length is 1.50 Å. The C(10)-O(15) bond length is 1.25 Å. The C(10)-O(2) bond length is 1.30 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(21), one C(4), and one H(6) atom. The C(11)-C(21) bond length is 1.40 Å. The C(11)-H(6) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(1), one C(10), and one C(20) atom. The C(12)-C(20) bond length is 1.39 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(22) and one H(7) atom. The C(13)-C(22) bond length is 1.40 Å. The C(13)-H(7) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one N(7) atom. The C(14)-N(7) bond length is 1.43 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(33), one C(7), and one H(8) atom. The C(15)-C(33) bond length is 1.40 Å. The C(15)-H(8) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(28), one C(37), and one H(9) atom. The C(16)-C(28) bond length is 1.40 Å. The C(16)-C(37) bond length is 1.40 Å. The C(16)-H(9) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(33), one O(11), and one O(4) atom. The C(17)-C(33) bond length is 1.50 Å. The C(17)-O(11) bond length is 1.28 Å. The C(17)-O(4) bond length is 1.28 Å. In the eighteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(22), one O(10), and one O(13) atom. The C(18)-C(22) bond length is 1.51 Å. The C(18)-O(10) bond length is 1.29 Å. The C(18)-O(13) bond length is 1.26 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(10), and one H(10) atom. The C(19)-N(10) bond length is 1.36 Å. The C(19)-H(10) bond length is 1.08 Å. In the twentieth C site, C(20) is bonded in a distorted single-bond geometry to one C(12), one C(21), and one H(11) atom. The C(20)-C(21) bond length is 1.39 Å. The C(20)-H(11) bond length is 1.09 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one C(11), one C(20), and one C(6) atom. In the twenty-second C site, C(22) is bonded in a trigonal planar geometry to one C(13), one C(18), and one C(32) atom. The C(22)-C(32) bond length is 1.40 Å. In the twenty-third C site, C(23) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(12) atom. The C(23)-N(5) bond length is 1.37 Å. The C(23)-H(12) bond length is 1.08 Å. In the twenty-fourth C site, C(24) is bonded in a 3-coordinate geometry to one C(29), one N(6), and one H(13) atom. The C(24)-C(29) bond length is 1.38 Å. The C(24)-N(6) bond length is 1.37 Å. The C(24)-H(13) bond length is 1.08 Å. In the twenty-fifth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(14) atom. The C(25)-N(2) bond length is 1.37 Å. The C(25)-H(14) bond length is 1.08 Å. In the twenty-sixth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(12), and one O(3) atom. The C(26)-O(12) bond length is 1.25 Å. The C(26)-O(3) bond length is 1.30 Å. In the twenty-seventh C site, C(27) is bonded in a distorted bent 120 degrees geometry to one C(30), one O(5), and one O(7) atom. The C(27)-C(30) bond length is 1.50 Å. The C(27)-O(5) bond length is 1.28 Å. The C(27)-O(7) bond length is 1.27 Å. In the twenty-eighth C site, C(28) is bonded in a distorted trigonal planar geometry to one C(16), one C(38), and one N(12) atom. The C(28)-C(38) bond length is 1.40 Å. The C(28)-N(12) bond length is 1.43 Å. In the twenty-ninth C site, C(29) is bonded in a distorted bent 120 degrees geometry to one C(24), one N(7), and one H(15) atom. The C(29)-N(7) bond length is 1.37 Å. The C(29)-H(15) bond length is 1.09 Å. In the thirtieth C site, C(30) is bonded in a trigonal planar geometry to one C(27), one C(31), and one C(32) atom. The C(30)-C(31) bond length is 1.40 Å. The C(30)-C(32) bond length is 1.40 Å. In the thirty-first C site, C(31) is bonded in a distorted single-bond geometry to one C(30) and one H(16) atom. The C(31)-H(16) bond length is 1.09 Å. In the thirty-second C site, C(32) is bonded in a distorted single-bond geometry to one C(22), one C(30), and one H(17) atom. The C(32)-H(17) bond length is 1.09 Å. In the thirty-third C site, C(33) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(8) atom. In the thirty-fourth C site, C(34) is bonded in a trigonal planar geometry to one C(36), one C(38), and one C(9) atom. The C(34)-C(36) bond length is 1.50 Å. The C(34)-C(38) bond length is 1.40 Å. In the thirty-fifth C site, C(35) is bonded in a distorted bent 120 degrees geometry to one C(37), one O(16), and one O(9) atom. The C(35)-C(37) bond length is 1.51 Å. The C(35)-O(16) bond length is 1.25 Å. The C(35)-O(9) bond length is 1.30 Å. In the thirty-sixth C site, C(36) is bonded in a distorted bent 120 degrees geometry to one C(34), one O(1), and one O(14) atom. The C(36)-O(1) bond length is 1.27 Å. The C(36)-O(14) bond length is 1.27 Å. In the thirty-seventh C site, C(37) is bonded in a trigonal planar geometry to one C(16), one C(35), and one C(9) atom. In the thirty-eighth C site, C(38) is bonded in a distorted single-bond geometry to one C(28), one C(34), and one H(20) atom. The C(38)-H(20) bond length is 1.09 Å. In the thirty-ninth C site, C(39) is bonded in a distorted bent 120 degrees geometry to one C(40), one N(12), and one H(21) atom. The C(39)-C(40) bond length is 1.37 Å. The C(39)-N(12) bond length is 1.37 Å. The C(39)-H(21) bond length is 1.08 Å. In the fortieth C site, C(40) is bonded in a distorted bent 120 degrees geometry to one C(39), one N(4), and one H(26) atom. The C(40)-N(4) bond length is 1.36 Å. The C(40)-H(26) bond length is 1.08 Å. There are twelve inequivalent N sites. In the first N site, N(1) is bonded in a water-like geometry to one N(10) and one N(3) atom. The N(1)-N(10) bond length is 1.32 Å. The N(1)-N(3) bond length is 1.35 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(25), and one N(8) atom. The N(2)-N(8) bond length is 1.31 Å. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one C(4), one C(5), and one N(1) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cu(4), one C(40), and one N(11) atom. The N(4)-N(11) bond length is 1.32 Å. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one C(23), one C(3), and one N(8) atom. The N(5)-N(8) bond length is 1.35 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cu(3), one C(24), and one N(9) atom. The N(6)-N(9) bond length is 1.31 Å. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one C(14), one C(29), and one N(9) atom. The N(7)-N(9) bond length is 1.35 Å. In the eighth N site, N(8) is bonded in a water-like geometry to one N(2) and one N(5) atom. In the ninth N site, N(9) is bonded in a water-like geometry to one N(6) and one N(7) atom. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(19), and one N(1) atom. In the eleventh N site, N(11) is bonded in a water-like geometry to one N(12) and one N(4) atom. The N(11)-N(12) bond length is 1.34 Å. In the twelfth N site, N(12) is bonded in a distorted trigonal planar geometry to one C(28), one C(39), and one N(11) atom. There are twenty-six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(11) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(13) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(15) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(16) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(19) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(20) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(23) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(24) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(25) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(29) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(31) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(32) atom. In the eighteenth H site, H(18) is bonded in a distorted single-bond geometry to one O(17) atom. The H(18)-O(17) bond length is 1.00 Å. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one O(17) atom. The H(19)-O(17) bond length is 0.98 Å. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(38) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(39) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one O(18) atom. The H(22)-O(18) bond length is 0.99 Å. In the twenty-third H site, H(23) is bonded in a distorted single-bond geometry to one O(16) and one O(18) atom. The H(23)-O(16) bond length is 1.66 Å. The H(23)-O(18) bond length is 1.01 Å. In the twenty-fourth H site, H(24) is bonded in a distorted single-bond geometry to one O(13) and one O(19) atom. The H(24)-O(13) bond length is 1.64 Å. The H(24)-O(19) bond length is 1.01 Å. In the twenty-fifth H site, H(25) is bonded in a single-bond geometry to one O(19) atom. The H(25)-O(19) bond length is 0.98 Å. In the twenty-sixth H site, H(26) is bonded in a single-bond geometry to one C(40) atom. There are nineteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(36) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(10) atom. In the third O site, O(3) is bonded in a water-like geometry to one Cu(4) and one C(26) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(17) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(27) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(6) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(27) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(6) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(35) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(18) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(17) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one C(26) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one C(18) and one H(24) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(36) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one C(10) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one C(35) and one H(23) atom. In the seventeenth O site, O(17) is bonded in a distorted water-like geometry to one Cu(3), one H(18), and one H(19) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Cu(4), one H(22), and one H(23) atom. In the nineteenth O site, O(19) is bonded in a distorted water-like geometry to one Cu(3), one H(24), and one H(25) atom. Linkers: 8 [O]C(=O)c1cc(C([O])=O)cc(-n2ccnn2)c1. Metal clusters: 2 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4 ,2 O.O.O=[C]O[Cu]O[C]=O ,2 O.O=[C]O[Cu]O[C]=O. The MOF has largest included sphere 3.72 A, density 1.79 g/cm3, surface area 3684.11 m2/g, accessible volume 0.13 cm3/g