Cu3C28H14(NO6)4 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a trigonal bipyramidal geometry to one O(1), one O(16), one O(2), one O(4), and one O(6) atom. The Cu(1)-O(1) bond length is 1.93 Å. The Cu(1)-O(16) bond length is 2.09 Å. The Cu(1)-O(2) bond length is 2.07 Å. The Cu(1)-O(4) bond length is 1.99 Å. The Cu(1)-O(6) bond length is 1.92 Å. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(1), one O(15), one O(16), one O(3), and one O(6) atom. The Cu(2)-O(1) bond length is 1.95 Å. The Cu(2)-O(15) bond length is 1.91 Å. The Cu(2)-O(16) bond length is 2.48 Å. The Cu(2)-O(3) bond length is 1.94 Å. The Cu(2)-O(6) bond length is 2.00 Å. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(1), one O(18), one O(4), one O(5), and one O(6) atom. The Cu(3)-O(1) bond length is 1.94 Å. The Cu(3)-O(18) bond length is 1.91 Å. The Cu(3)-O(4) bond length is 2.42 Å. The Cu(3)-O(5) bond length is 1.94 Å. The Cu(3)-O(6) bond length is 1.99 Å. There are twenty-eight 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(2), and one O(3) atom. The C(1)-C(2) bond length is 1.49 Å. The C(1)-O(2) bond length is 1.26 Å. The C(1)-O(3) bond length is 1.27 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 1.39 Å. The C(2)-C(7) bond length is 1.38 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one H(3) atom. The C(3)-C(4) bond length is 1.35 Å. The C(3)-H(3) bond length is 0.93 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(4) atom. The C(4)-C(5) bond length is 1.37 Å. The C(4)-H(4) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-C(8) bond length is 1.50 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one N(1) atom. The C(6)-C(7) bond length is 1.36 Å. The C(6)-N(1) bond length is 1.52 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(5) atom. The C(7)-H(5) bond length is 0.93 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(13), one C(5), and one C(9) atom. The C(8)-C(13) bond length is 1.38 Å. The C(8)-C(9) bond length is 1.34 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one N(4) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-N(4) bond length is 1.51 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(11), one C(9), and one H(6) atom. The C(10)-C(11) bond length is 1.37 Å. The C(10)-H(6) bond length is 0.93 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(14) atom. The C(11)-C(12) bond length is 1.36 Å. The C(11)-C(14) bond length is 1.48 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(11) and one H(7) atom. The C(12)-H(7) bond length is 0.93 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(8) and one H(8) atom. The C(13)-H(8) bond length is 0.93 Å. In the fourteenth C site, C(14) is bonded in a bent 120 degrees geometry to one C(11), one O(17), and one O(18) atom. The C(14)-O(17) bond length is 1.24 Å. The C(14)-O(18) bond length is 1.26 Å. In the fifteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(4), and one O(5) atom. The C(15)-C(16) bond length is 1.50 Å. The C(15)-O(4) bond length is 1.27 Å. The C(15)-O(5) bond length is 1.25 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(21) atom. The C(16)-C(17) bond length is 1.37 Å. The C(16)-C(21) bond length is 1.36 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(16), one C(18), and one H(9) atom. The C(17)-C(18) bond length is 1.38 Å. The C(17)-H(9) bond length is 0.93 Å. In the eighteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(17), one C(19), and one N(2) atom. The C(18)-C(19) bond length is 1.42 Å. The C(18)-N(2) bond length is 1.45 Å. In the nineteenth C site, C(19) is bonded in a trigonal planar geometry to one C(18), one C(20), and one C(22) atom. The C(19)-C(20) bond length is 1.42 Å. The C(19)-C(22) bond length is 1.50 Å. In the twentieth C site, C(20) is bonded in a distorted single-bond geometry to one C(19) and one H(10) atom. The C(20)-H(10) bond length is 0.93 Å. In the twenty-first C site, C(21) is bonded in a distorted single-bond geometry to one C(16) and one H(11) atom. The C(21)-H(11) bond length is 0.93 Å. In the twenty-second C site, C(22) is bonded in a trigonal planar geometry to one C(19), one C(23), and one C(27) atom. The C(22)-C(23) bond length is 1.36 Å. The C(22)-C(27) bond length is 1.37 Å. In the twenty-third C site, C(23) is bonded in a distorted single-bond geometry to one C(22) and one H(12) atom. The C(23)-H(12) bond length is 0.93 Å. In the twenty-fourth C site, C(24) is bonded in a distorted single-bond geometry to one C(25) and one H(13) atom. The C(24)-C(25) bond length is 1.38 Å. The C(24)-H(13) bond length is 0.93 Å. In the twenty-fifth C site, C(25) is bonded in a trigonal planar geometry to one C(24), one C(26), and one C(28) atom. The C(25)-C(26) bond length is 1.39 Å. The C(25)-C(28) bond length is 1.49 Å. In the twenty-sixth C site, C(26) is bonded in a distorted single-bond geometry to one C(25), one C(27), and one H(14) atom. The C(26)-C(27) bond length is 1.38 Å. The C(26)-H(14) bond length is 0.93 Å. In the twenty-seventh C site, C(27) is bonded in a distorted trigonal planar geometry to one C(22), one C(26), and one N(3) atom. The C(27)-N(3) bond length is 1.46 Å. In the twenty-eighth C site, C(28) is bonded in a distorted bent 120 degrees geometry to one C(25), one O(15), and one O(16) atom. The C(28)-O(15) bond length is 1.26 Å. The C(28)-O(16) bond length is 1.26 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one C(6), one O(11), one O(12), one O(21), and one O(22) atom. The N(1)-O(11) bond length is 1.23 Å. The N(1)-O(12) bond length is 1.22 Å. The N(1)-O(21) bond length is 1.21 Å. The N(1)-O(22) bond length is 1.23 Å. In the second N site, N(2) is bonded in a 5-coordinate geometry to one C(18), one O(19), one O(20), one O(7), and one O(8) atom. The N(2)-O(19) bond length is 1.22 Å. The N(2)-O(20) bond length is 1.22 Å. The N(2)-O(7) bond length is 1.22 Å. The N(2)-O(8) bond length is 1.23 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(27), one O(10), and one O(9) atom. The N(3)-O(10) bond length is 1.21 Å. The N(3)-O(9) bond length is 1.21 Å. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one C(9), one O(13), one O(14), one O(23), and one O(24) atom. The N(4)-O(13) bond length is 1.24 Å. The N(4)-O(14) bond length is 1.22 Å. The N(4)-O(23) bond length is 1.21 Å. The N(4)-O(24) bond length is 1.23 Å. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.85 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. The H(2)-O(6) bond length is 0.85 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) 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(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(12) 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(17) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(20) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(21) 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(26) atom. There are twenty-four inequivalent O sites. In the first O site, O(9) is bonded in a single-bond geometry to one N(3) atom. In the second O site, O(10) is bonded in a single-bond geometry to one N(3) atom. In the third O site, O(12) is bonded in a single-bond geometry to one N(1) atom. In the fourth O site, O(13) is bonded in a 2-coordinate geometry to one N(4) and one O(23) atom. The O(13)-O(23) bond length is 0.71 Å. In the fifth O site, O(14) is bonded in a 2-coordinate geometry to one N(4) and one O(24) atom. The O(14)-O(24) bond length is 0.76 Å. In the sixth O site, O(15) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(28) atom. In the seventh O site, O(16) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one C(28) atom. In the eighth O site, O(17) is bonded in a single-bond geometry to one C(14) atom. In the ninth O site, O(18) is bonded in a water-like geometry to one Cu(3) and one C(14) atom. In the tenth O site, O(19) is bonded in a distorted single-bond geometry to one N(2) atom. In the eleventh O site, O(20) is bonded in a single-bond geometry to one N(2) atom. In the twelfth O site, O(21) is bonded in a single-bond geometry to one N(1) atom. In the thirteenth O site, O(11) is bonded in a distorted single-bond geometry to one N(1) atom. In the fourteenth O site, O(1) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(1) atom. In the fifteenth O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the sixteenth O site, O(22) is bonded in a single-bond geometry to one N(1) atom. In the seventeenth O site, O(23) is bonded in a 2-coordinate geometry to one N(4) and one O(13) atom. In the eighteenth O site, O(24) is bonded in a 2-coordinate geometry to one N(4) and one O(14) atom. In the nineteenth O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the twentieth O site, O(4) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one C(15) atom. In the twenty-first O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(15) atom. In the twenty-second O site, O(6) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(2) atom. In the twenty-third O site, O(7) is bonded in a distorted single-bond geometry to one N(2) atom. In the twenty-fourth O site, O(8) is bonded in a single-bond geometry to one N(2) atom. Linkers: 4 [O]C(=O)c1c[c]c(-c2ccc(C([O])=O)cc2[N+](=O)[O-])cc1.[O]O[N]O[O] ,4 [O]C(=O)c1c[c]c(-c2[c]cc(C([O])=O)cc2)cc1.[O]O[N]O[O].[O]On1oo1. Metal clusters: 12 [Cu]. The MOF has largest included sphere 6.24 A, density 1.36 g/cm3, surface area 3422.25 m2/g, accessible volume 0.44 cm3/g