Cu3C43H37(N2O5)2(CH3)4 crystallizes in the monoclinic P2_1/c space group. The structure consists of sixteen 02329_fluka molecules inside a Cu3C43H37(N2O5)2 framework. In the Cu3C43H37(N2O5)2 framework, there are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(1), one N(4), one O(1), one O(3), and one O(4) atom to form CuN2O3 square pyramids that share  a cornercorner with one Cu(2)NO4 square pyramid,  a cornercorner with one C(45)H3O tetrahedra, and  an edgeedge with one Cu(3)NO4 square pyramid. The Cu(1)-N(1) bond length is 1.98 Å. The Cu(1)-N(4) bond length is 2.30 Å. The Cu(1)-O(1) bond length is 1.97 Å. The Cu(1)-O(3) bond length is 1.99 Å. The Cu(1)-O(4) bond length is 1.88 Å. In the second Cu site, Cu(2) is bonded to one N(3), one O(2), one O(4), one O(5), and one O(7) atom to form CuNO4 square pyramids that share  a cornercorner with one Cu(1)N2O3 square pyramid and  a cornercorner with one Cu(3)NO4 square pyramid. The Cu(2)-N(3) bond length is 2.01 Å. The Cu(2)-O(2) bond length is 2.27 Å. The Cu(2)-O(4) bond length is 1.85 Å. The Cu(2)-O(5) bond length is 1.97 Å. The Cu(2)-O(7) bond length is 1.91 Å. In the third Cu site, Cu(3) is bonded to one N(2), one O(3), one O(4), one O(6), and one O(8) atom to form distorted CuNO4 square pyramids that share  a cornercorner with one Cu(2)NO4 square pyramid,  a cornercorner with one C(45)H3O tetrahedra, and  an edgeedge with one Cu(1)N2O3 square pyramid. The Cu(3)-N(2) bond length is 1.94 Å. The Cu(3)-O(3) bond length is 1.92 Å. The Cu(3)-O(4) bond length is 1.90 Å. The Cu(3)-O(6) bond length is 2.57 Å. The Cu(3)-O(8) bond length is 1.95 Å. There are forty-three inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one H(2) atom. The C(2)-C(3) 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 trigonal planar geometry to one C(2), one C(4), and one C(7) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(7) bond length is 1.48 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(4), one N(1), and one H(4) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(4) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal non-coplanar geometry to one C(8), one H(5), one H(6), and one H(7) atom. The C(6)-C(8) bond length is 1.51 Å. The C(6)-H(5) bond length is 1.09 Å. The C(6)-H(6) bond length is 1.10 Å. The C(6)-H(7) bond length is 1.10 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(12), one C(3), and one C(8) atom. The C(7)-C(12) bond length is 1.41 Å. The C(7)-C(8) bond length is 1.41 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(6), one C(7), and one C(9) atom. The C(8)-C(9) bond length is 1.41 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(24), and one C(8) atom. The C(9)-C(10) bond length is 1.41 Å. The C(9)-C(24) bond length is 1.49 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(9) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-C(13) bond length is 1.50 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(18) atom. The C(11)-C(12) bond length is 1.41 Å. The C(11)-C(18) bond length is 1.49 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(14), and one C(7) atom. The C(12)-C(14) bond length is 1.50 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal non-coplanar geometry to one C(10), one H(10), one H(8), and one H(9) atom. The C(13)-H(10) bond length is 1.10 Å. The C(13)-H(8) bond length is 1.10 Å. The C(13)-H(9) bond length is 1.10 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal non-coplanar geometry to one C(12), one H(11), one H(12), and one H(13) atom. The C(14)-H(11) bond length is 1.09 Å. The C(14)-H(12) bond length is 1.09 Å. The C(14)-H(13) bond length is 1.10 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(19), one N(2), and one H(14) atom. The C(15)-C(19) bond length is 1.39 Å. The C(15)-N(2) bond length is 1.35 Å. The C(15)-H(14) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(17), one N(2), and one H(15) atom. The C(16)-C(17) bond length is 1.39 Å. The C(16)-N(2) bond length is 1.34 Å. The C(16)-H(15) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(16), one C(18), and one H(16) atom. The C(17)-C(18) bond length is 1.40 Å. The C(17)-H(16) bond length is 1.09 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one C(11), one C(17), and one C(19) atom. The C(18)-C(19) bond length is 1.40 Å. In the nineteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(15), one C(18), and one H(17) atom. The C(19)-H(17) bond length is 1.09 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(21), one C(25), and one C(31) atom. The C(20)-C(21) bond length is 1.41 Å. The C(20)-C(25) bond length is 1.41 Å. The C(20)-C(31) bond length is 1.49 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(26) atom. The C(21)-C(22) bond length is 1.41 Å. The C(21)-C(26) bond length is 1.50 Å. In the twenty-second C site, C(22) is bonded in a trigonal planar geometry to one C(21), one C(23), and one C(36) atom. The C(22)-C(23) bond length is 1.41 Å. The C(22)-C(36) bond length is 1.49 Å. In the twenty-third C site, C(23) is bonded in a trigonal planar geometry to one C(22), one C(24), and one C(27) atom. The C(23)-C(24) bond length is 1.41 Å. The C(23)-C(27) bond length is 1.51 Å. In the twenty-fourth C site, C(24) is bonded in a trigonal planar geometry to one C(23), one C(25), and one C(9) atom. The C(24)-C(25) bond length is 1.41 Å. In the twenty-fifth C site, C(25) is bonded in a trigonal planar geometry to one C(20), one C(24), and one C(28) atom. The C(25)-C(28) bond length is 1.51 Å. In the twenty-sixth C site, C(26) is bonded in a distorted trigonal non-coplanar geometry to one C(21), one H(18), one H(19), and one H(20) atom. The C(26)-H(18) bond length is 1.09 Å. The C(26)-H(19) bond length is 1.10 Å. The C(26)-H(20) bond length is 1.10 Å. In the twenty-seventh C site, C(27) is bonded in a distorted trigonal non-coplanar geometry to one C(23), one H(21), one H(22), and one H(23) atom. The C(27)-H(21) bond length is 1.10 Å. The C(27)-H(22) bond length is 1.10 Å. The C(27)-H(23) bond length is 1.10 Å. In the twenty-eighth C site, C(28) is bonded in a distorted trigonal non-coplanar geometry to one C(25), one H(24), one H(25), and one H(26) atom. The C(28)-H(24) bond length is 1.09 Å. The C(28)-H(25) bond length is 1.10 Å. The C(28)-H(26) bond length is 1.10 Å. In the twenty-ninth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(30), one N(3), and one H(27) atom. The C(29)-C(30) bond length is 1.39 Å. The C(29)-N(3) bond length is 1.35 Å. The C(29)-H(27) bond length is 1.09 Å. In the thirtieth C site, C(30) is bonded in a distorted trigonal planar geometry to one C(29), one C(31), and one H(28) atom. The C(30)-C(31) bond length is 1.40 Å. The C(30)-H(28) bond length is 1.09 Å. In the thirty-first C site, C(31) is bonded in a trigonal planar geometry to one C(20), one C(30), and one C(32) atom. The C(31)-C(32) bond length is 1.40 Å. In the thirty-second C site, C(32) is bonded in a distorted trigonal planar geometry to one C(31), one C(33), and one H(29) atom. The C(32)-C(33) bond length is 1.39 Å. The C(32)-H(29) bond length is 1.09 Å. In the thirty-third C site, C(33) is bonded in a distorted trigonal planar geometry to one C(32), one N(3), and one H(30) atom. The C(33)-N(3) bond length is 1.34 Å. The C(33)-H(30) bond length is 1.09 Å. In the thirty-fourth C site, C(34) is bonded in a distorted trigonal planar geometry to one C(35), one N(4), and one H(31) atom. The C(34)-C(35) bond length is 1.40 Å. The C(34)-N(4) bond length is 1.35 Å. The C(34)-H(31) bond length is 1.09 Å. In the thirty-fifth C site, C(35) is bonded in a distorted trigonal planar geometry to one C(34), one C(36), and one H(32) atom. The C(35)-C(36) bond length is 1.40 Å. The C(35)-H(32) bond length is 1.09 Å. In the thirty-sixth C site, C(36) is bonded in a trigonal planar geometry to one C(22), one C(35), and one C(37) atom. The C(36)-C(37) bond length is 1.40 Å. In the thirty-seventh C site, C(37) is bonded in a distorted trigonal planar geometry to one C(36), one C(38), and one H(33) atom. The C(37)-C(38) bond length is 1.39 Å. The C(37)-H(33) bond length is 1.09 Å. In the thirty-eighth C site, C(38) is bonded in a distorted bent 120 degrees geometry to one C(37), one N(4), and one H(34) atom. The C(38)-N(4) bond length is 1.34 Å. The C(38)-H(34) bond length is 1.09 Å. In the thirty-ninth C site, C(40) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(8) atom. The C(40)-O(10) bond length is 1.25 Å. The C(40)-O(8) bond length is 1.31 Å. In the fortieth C site, C(42) is bonded in a distorted bent 120 degrees geometry to one O(7) and one O(9) atom. The C(42)-O(7) bond length is 1.32 Å. The C(42)-O(9) bond length is 1.23 Å. In the forty-first C site, C(44) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(44)-O(1) bond length is 1.29 Å. The C(44)-O(2) bond length is 1.25 Å. In the forty-second C site, C(45) is bonded to one H(44), one H(45), one H(46), and one O(3) atom to form CH3O tetrahedra that share  a cornercorner with one Cu(1)N2O3 square pyramid and  a cornercorner with one Cu(3)NO4 square pyramid. The C(45)-H(44) bond length is 1.10 Å. The C(45)-H(45) bond length is 1.10 Å. The C(45)-H(46) bond length is 1.11 Å. The C(45)-O(3) bond length is 1.41 Å. In the forty-third C site, C(47) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. The C(47)-O(5) bond length is 1.30 Å. The C(47)-O(6) bond length is 1.26 Å. There are four 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(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(3), one C(15), and one C(16) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(2), one C(29), and one C(33) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(34), and one C(38) atom. There are thirty-seven 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(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(6) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(13) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(13) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(13) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(14) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(14) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(14) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(15) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(16) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(17) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(19) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(26) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(26) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(26) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(27) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(27) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(27) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one C(28) atom. In the twenty-fifth H site, H(25) is bonded in a single-bond geometry to one C(28) atom. In the twenty-sixth H site, H(26) is bonded in a single-bond geometry to one C(28) atom. In the twenty-seventh H site, H(27) is bonded in a single-bond geometry to one C(29) atom. In the twenty-eighth H site, H(28) is bonded in a single-bond geometry to one C(30) atom. In the twenty-ninth H site, H(29) is bonded in a single-bond geometry to one C(32) atom. In the thirtieth H site, H(30) is bonded in a single-bond geometry to one C(33) atom. In the thirty-first H site, H(31) is bonded in a single-bond geometry to one C(34) atom. In the thirty-second H site, H(32) is bonded in a single-bond geometry to one C(35) atom. In the thirty-third H site, H(33) is bonded in a single-bond geometry to one C(37) atom. In the thirty-fourth H site, H(34) is bonded in a single-bond geometry to one C(38) atom. In the thirty-fifth H site, H(44) is bonded in a single-bond geometry to one C(45) atom. In the thirty-sixth H site, H(45) is bonded in a single-bond geometry to one C(45) atom. In the thirty-seventh H site, H(46) is bonded in a single-bond geometry to one C(45) atom. There are ten 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(44) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(44) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one C(45) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(47) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Cu(3) and one C(47) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(42) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Cu(3) and one C(40) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one C(42) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one C(40) atom. Linkers: 4 Cc1c(-c2ccncc2)c(C)c(-c2c(C)c(-c3ccncc3)c(C)c(-c3ccncc3)c2C)c(C)c1-c1ccncc1. Metal clusters: 12 [Cu]. The MOF has largest included sphere 4.95 A, density 1.13 g/cm3, surface area 4949.43 m2/g, accessible volume 0.41 cm3/g