Cu5C54H40(NO12)2(CH)6(CH3)2 crystallizes in the triclinic P-1 space group. The structure consists of six 02329_fluka molecules and two 02329_fluka molecules inside a Cu5C54H40(NO12)2 framework. In the Cu5C54H40(NO12)2 framework, there are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(12), one O(2), one O(4), and two equivalent O(11) atoms to form a mixture of edge and corner-sharing CuO5 square pyramids. The Cu(1)-O(12) bond length is 2.28 Å. The Cu(1)-O(2) bond length is 1.95 Å. The Cu(1)-O(4) bond length is 1.94 Å. Both Cu(1)-O(11) bond lengths are 2.00 Å. In the second Cu site, Cu(2) is bonded to one O(1), one O(10), one O(11), one O(5), and one O(8) atom to form corner-sharing CuO5 square pyramids. The Cu(2)-O(1) bond length is 2.07 Å. The Cu(2)-O(10) bond length is 2.23 Å. The Cu(2)-O(11) bond length is 1.96 Å. The Cu(2)-O(5) bond length is 2.01 Å. The Cu(2)-O(8) bond length is 1.93 Å. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(6) and two equivalent O(7) atoms. Both Cu(3)-O(6) bond lengths are 1.94 Å. Both Cu(3)-O(7) bond lengths are 1.92 Å. There are twenty-seven inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.48 Å. The C(1)-O(1) bond length is 1.29 Å. The C(1)-O(2) bond length is 1.28 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.42 Å. The C(2)-C(7) bond length is 1.41 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one O(9) atom. The C(3)-O(9) bond length is 1.35 Å. In the fourth C site, C(5) is bonded in a distorted single-bond geometry to one C(6) and one H(2) atom. The C(5)-C(6) bond length is 1.41 Å. The C(5)-H(2) bond length is 1.09 Å. In the fifth C site, C(6) is bonded in a trigonal planar geometry to one C(5), one C(7), and one C(8) atom. The C(6)-C(7) bond length is 1.40 Å. The C(6)-C(8) bond length is 1.48 Å. In the sixth C site, C(7) is bonded in a single-bond geometry to one C(2), one C(6), and one H(3) atom. The C(7)-H(3) bond length is 1.09 Å. In the seventh C site, C(8) is bonded in a trigonal planar geometry to one C(13), one C(6), and one C(9) atom. The C(8)-C(13) bond length is 1.40 Å. The C(8)-C(9) bond length is 1.40 Å. In the eighth C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(8), and one H(4) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-H(4) bond length is 1.09 Å. In the ninth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(14), and one C(9) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-C(14) bond length is 1.48 Å. In the tenth C site, C(11) is bonded in a distorted single-bond geometry to one C(10), one C(12), and one H(5) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-H(5) bond length is 1.09 Å. In the eleventh C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(21) atom. The C(12)-C(13) bond length is 1.41 Å. The C(12)-C(21) bond length is 1.48 Å. In the twelfth C site, C(13) is bonded in a distorted single-bond geometry to one C(12), one C(8), and one H(6) atom. The C(13)-H(6) bond length is 1.09 Å. In the thirteenth C site, C(14) is bonded in a trigonal planar geometry to one C(10), one C(15), and one C(19) atom. The C(14)-C(15) bond length is 1.41 Å. The C(14)-C(19) bond length is 1.40 Å. In the fourteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(14) and one H(7) atom. The C(15)-H(7) bond length is 1.09 Å. In the fifteenth C site, C(17) is bonded in a distorted single-bond geometry to one C(18) and one O(3) atom. The C(17)-C(18) bond length is 1.43 Å. The C(17)-O(3) bond length is 1.35 Å. In the sixteenth C site, C(18) is bonded in a trigonal planar geometry to one C(17), one C(19), and one C(20) atom. The C(18)-C(19) bond length is 1.41 Å. The C(18)-C(20) bond length is 1.48 Å. In the seventeenth C site, C(19) is bonded in a distorted single-bond geometry to one C(14), one C(18), and one H(9) atom. The C(19)-H(9) bond length is 1.09 Å. In the eighteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(18), one O(4), and one O(5) atom. The C(20)-O(4) bond length is 1.30 Å. The C(20)-O(5) bond length is 1.27 Å. In the nineteenth C site, C(21) is bonded in a trigonal planar geometry to one C(12), 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 1.39 Å. In the twentieth C site, C(22) is bonded in a distorted single-bond geometry to one C(21) and one H(10) atom. The C(22)-H(10) bond length is 1.09 Å. In the twenty-first C site, C(24) is bonded in a distorted single-bond geometry to one C(25) and one O(6) atom. The C(24)-C(25) bond length is 1.43 Å. The C(24)-O(6) bond length is 1.33 Å. In the twenty-second C site, C(25) is bonded in a trigonal planar geometry to one C(24), one C(26), and one C(27) atom. The C(25)-C(26) bond length is 1.41 Å. The C(25)-C(27) bond length is 1.47 Å. In the twenty-third C site, C(26) is bonded in a distorted single-bond geometry to one C(21), one C(25), and one H(12) atom. The C(26)-H(12) bond length is 1.09 Å. In the twenty-fourth C site, C(27) is bonded in a distorted bent 120 degrees geometry to one C(25), one O(7), and one O(8) atom. The C(27)-O(7) bond length is 1.28 Å. The C(27)-O(8) bond length is 1.28 Å. In the twenty-fifth C site, C(28) is bonded in a distorted bent 120 degrees geometry to one N(1) and one O(10) atom. The C(28)-N(1) bond length is 1.35 Å. The C(28)-O(10) bond length is 1.26 Å. In the twenty-sixth C site, C(30) is bonded to one N(1), one H(16), one H(17), and one H(18) atom to form corner-sharing CH3N tetrahedra. The C(30)-N(1) bond length is 1.45 Å. The C(30)-H(16) bond length is 1.10 Å. The C(30)-H(17) bond length is 1.10 Å. The C(30)-H(18) bond length is 1.09 Å. In the twenty-seventh C site, C(31) is bonded to one N(1), one H(19), one H(20), and one H(21) atom to form corner-sharing CH3N tetrahedra. The C(31)-N(1) bond length is 1.46 Å. The C(31)-H(19) bond length is 1.10 Å. The C(31)-H(20) bond length is 1.10 Å. The C(31)-H(21) bond length is 1.09 Å. N(1) is bonded in a trigonal planar geometry to one C(28), one C(30), and one C(31) atom. There are twenty inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(15) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(19) atom. In the eighth H site, H(10) is bonded in a single-bond geometry to one C(22) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(26) atom. In the tenth H site, H(16) is bonded in a single-bond geometry to one C(30) atom. In the eleventh H site, H(17) is bonded in a single-bond geometry to one C(30) atom. In the twelfth H site, H(18) is bonded in a single-bond geometry to one C(30) atom. In the thirteenth H site, H(19) is bonded in a single-bond geometry to one C(31) atom. In the fourteenth H site, H(20) is bonded in a single-bond geometry to one C(31) atom. In the fifteenth H site, H(21) is bonded in a single-bond geometry to one C(31) atom. In the sixteenth H site, H(22) is bonded in a bent 150 degrees geometry to one O(3) and one O(4) atom. The H(22)-O(3) bond length is 1.00 Å. The H(22)-O(4) bond length is 1.62 Å. In the seventeenth H site, H(23) is bonded in a single-bond geometry to one O(1) and one O(9) atom. The H(23)-O(1) bond length is 1.67 Å. The H(23)-O(9) bond length is 1.00 Å. In the eighteenth H site, H(24) is bonded in a single-bond geometry to one O(11) atom. The H(24)-O(11) bond length is 0.98 Å. In the nineteenth H site, H(25) is bonded in a single-bond geometry to one O(12) atom. The H(25)-O(12) bond length is 0.97 Å. In the twentieth H site, H(26) is bonded in a distorted single-bond geometry to one O(12) and one O(6) atom. The H(26)-O(12) bond length is 1.01 Å. The H(26)-O(6) bond length is 1.68 Å. There are twelve inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(20) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(3), one C(24), and one H(26) atom. In the third O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(27) atom. In the fourth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(27) atom. In the fifth O site, O(9) is bonded in a water-like geometry to one C(3) and one H(23) atom. In the sixth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(28) atom. In the seventh O site, O(11) is bonded in a distorted single-bond geometry to one Cu(2), two equivalent Cu(1), and one H(24) atom. In the eighth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one H(25), and one H(26) atom. In the ninth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(2), one C(1), and one H(23) atom. In the tenth O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the eleventh O site, O(3) is bonded in a water-like geometry to one C(17) and one H(22) atom. In the twelfth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(20), and one H(22) atom. Linkers: 2 [O]C(=O)c1cc(-c2cc(-c3ccc(O)c(C([O])=O)c3)cc(-c3ccc(O)c(C([O])=O)c3)c2)ccc1[O]. Metal clusters: 5 [Cu]. The MOF has largest included sphere 3.85 A, density 1.48 g/cm3, surface area 4170.01 m2/g, accessible volume 0.26 cm3/g