Cu3C12N2H8O9 crystallizes in the triclinic P1 space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(3), one O(1), one O(15), one O(5), and one O(9) atom to form distorted corner-sharing CuNO4 square pyramids. The Cu(1)-N(3) bond length is 1.97 Å. The Cu(1)-O(1) bond length is 2.00 Å. The Cu(1)-O(15) bond length is 1.89 Å. The Cu(1)-O(5) bond length is 2.50 Å. The Cu(1)-O(9) bond length is 1.92 Å. In the second Cu site, Cu(2) is bonded to one N(4), one O(10), one O(16), one O(2), and one O(5) atom to form distorted corner-sharing CuNO4 square pyramids. The Cu(2)-N(4) bond length is 1.97 Å. The Cu(2)-O(10) bond length is 1.92 Å. The Cu(2)-O(16) bond length is 1.89 Å. The Cu(2)-O(2) bond length is 2.00 Å. The Cu(2)-O(5) bond length is 2.51 Å. In the third Cu site, Cu(3) is bonded to one N(1), one O(17), one O(3), one O(6), and one O(7) atom to form distorted corner-sharing CuNO4 square pyramids. The Cu(3)-N(1) bond length is 1.97 Å. The Cu(3)-O(17) bond length is 1.89 Å. The Cu(3)-O(3) bond length is 2.00 Å. The Cu(3)-O(6) bond length is 2.51 Å. The Cu(3)-O(7) bond length is 1.92 Å. In the fourth Cu site, Cu(4) is bonded to one N(2), one O(18), one O(4), one O(6), and one O(8) atom to form distorted corner-sharing CuNO4 square pyramids. The Cu(4)-N(2) bond length is 1.97 Å. The Cu(4)-O(18) bond length is 1.89 Å. The Cu(4)-O(4) bond length is 2.00 Å. The Cu(4)-O(6) bond length is 2.48 Å. The Cu(4)-O(8) bond length is 1.93 Å. In the fifth Cu site, Cu(5) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Cu(5)-O(1) bond length is 1.98 Å. The Cu(5)-O(2) bond length is 1.98 Å. The Cu(5)-O(3) bond length is 1.98 Å. The Cu(5)-O(4) bond length is 1.97 Å. In the sixth Cu site, Cu(6) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Cu(6)-O(1) bond length is 1.97 Å. The Cu(6)-O(2) bond length is 1.98 Å. The Cu(6)-O(3) bond length is 1.98 Å. The Cu(6)-O(4) bond length is 1.99 Å. There are twenty-three inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(11), and one O(7) atom. The C(1)-C(5) bond length is 1.50 Å. The C(1)-O(11) bond length is 1.25 Å. The C(1)-O(7) bond length is 1.30 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(12), and one O(8) atom. The C(2)-C(6) bond length is 1.50 Å. The C(2)-O(12) bond length is 1.25 Å. The C(2)-O(8) bond length is 1.30 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(13), and one O(9) atom. The C(3)-C(7) bond length is 1.49 Å. The C(3)-O(13) bond length is 1.25 Å. The C(3)-O(9) bond length is 1.30 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(10), and one O(14) atom. The C(4)-C(8) bond length is 1.49 Å. The C(4)-O(10) bond length is 1.30 Å. The C(4)-O(14) bond length is 1.25 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(1), one C(9), and one N(1) atom. The C(5)-C(9) bond length is 1.39 Å. The C(5)-N(1) bond length is 1.35 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(10), one C(2), and one N(2) atom. The C(6)-C(10) bond length is 1.39 Å. The C(6)-N(2) bond length is 1.35 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(11), one C(3), and one N(3) atom. The C(7)-C(11) bond length is 1.39 Å. The C(7)-N(3) bond length is 1.35 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(12), one C(4), and one N(4) atom. The C(8)-C(12) bond length is 1.39 Å. The C(8)-N(4) bond length is 1.35 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(13), one C(5), and one H(9) atom. The C(9)-C(13) bond length is 1.37 Å. The C(9)-H(9) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(14,16); one C(6); and one H(10,12) atom. The C(10)-C(14,16) bond length is 1.37 Å. The C(10)-H(10,12) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(15), one C(7), and one H(11) atom. The C(11)-C(15) bond length is 1.37 Å. The C(11)-H(11) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(14,16); one C(8); and one H(10,12) atom. The C(12)-C(14,16) bond length is 1.37 Å. The C(12)-H(10,12) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(9) and one H(13,14,15,16) atom. The C(13)-H(13,14,15,16) bond length is 1.09 Å. In the fourteenth C site, C(14,16) is bonded in a distorted single-bond geometry to one C(10) and one H(13,14,15,16) atom. The C(14,16)-H(13,14,15,16) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(11) and one H(13,14,15,16) atom. The C(15)-H(13,14,15,16) bond length is 1.09 Å. In the sixteenth C site, C(17) is bonded in a distorted single-bond geometry to one C(21) and one O(15) atom. The C(17)-C(21) bond length is 1.45 Å. The C(17)-O(15) bond length is 1.31 Å. In the seventeenth C site, C(18) is bonded in a distorted single-bond geometry to one C(22) and one O(16) atom. The C(18)-C(22) bond length is 1.45 Å. The C(18)-O(16) bond length is 1.31 Å. In the eighteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(23) and one O(17) atom. The C(19)-C(23) bond length is 1.45 Å. The C(19)-O(17) bond length is 1.31 Å. In the nineteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(24) and one O(18) atom. The C(20)-C(24) bond length is 1.45 Å. The C(20)-O(18) bond length is 1.31 Å. In the twentieth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(17), one C(23), and one N(1) atom. The C(21)-C(23) bond length is 1.48 Å. The C(21)-N(1) bond length is 1.36 Å. In the twenty-first C site, C(22) is bonded in a distorted trigonal planar geometry to one C(18), one C(24), and one N(2) atom. The C(22)-C(24) bond length is 1.48 Å. The C(22)-N(2) bond length is 1.36 Å. In the twenty-second C site, C(23) is bonded in a distorted trigonal planar geometry to one C(19), one C(21), and one N(3) atom. The C(23)-N(3) bond length is 1.36 Å. In the twenty-third C site, C(24) is bonded in a distorted trigonal planar geometry to one C(20), one C(22), and one N(4) atom. The C(24)-N(4) bond length is 1.36 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(3), one C(21), and one C(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(4), one C(22), and one C(6) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(1), one C(23), and one C(7) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(2), one C(24), and one C(8) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(18) atom. The H(1)-O(1) bond length is 1.00 Å. The H(1)-O(18) bond length is 1.69 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(17) and one O(2) atom. The H(2)-O(17) bond length is 1.70 Å. The H(2)-O(2) bond length is 1.00 Å. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(16) and one O(3) atom. The H(3)-O(16) bond length is 1.69 Å. The H(3)-O(3) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(15) and one O(4) atom. The H(4)-O(15) bond length is 1.70 Å. The H(4)-O(4) bond length is 1.00 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. The H(5)-O(5) bond length is 1.00 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(5) atom. The H(6)-O(5) bond length is 1.00 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(6) atom. The H(7)-O(6) bond length is 1.00 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(6) atom. The H(8)-O(6) bond length is 1.00 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(10,12) is bonded in a single-bond geometry to one C(10) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the twelfth H site, H(13,14,15,16) is bonded in a single-bond geometry to one C(13) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Cu(1), one Cu(5), one Cu(6), and one H(1) atom to form a mixture of distorted edge and corner-sharing OCu3H tetrahedra. In the second O site, O(2) is bonded to one Cu(2), one Cu(5), one Cu(6), and one H(2) atom to form a mixture of distorted edge and corner-sharing OCu3H tetrahedra. In the third O site, O(3) is bonded to one Cu(3), one Cu(5), one Cu(6), and one H(3) atom to form a mixture of distorted edge and corner-sharing OCu3H tetrahedra. In the fourth O site, O(4) is bonded to one Cu(4), one Cu(5), one Cu(6), and one H(4) atom to form a mixture of distorted edge and corner-sharing OCu3H tetrahedra. In the fifth O site, O(5) is bonded in a water-like geometry to one Cu(1), one Cu(2), one H(5), and one H(6) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Cu(3), one Cu(4), one H(7), and one H(8) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Cu(3) and one C(1) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Cu(4) and one C(2) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Cu(1) and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Cu(2) and one C(4) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one C(1) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one C(2) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one C(3) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one C(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one C(17), and one H(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Cu(2), one C(18), and one H(3) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Cu(3), one C(19), and one H(2) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Cu(4), one C(20), and one H(1) atom. Linkers: 2 [O]C(=O)c1ccc([O])c(-c2nc(C([O])=O)ccc2[O])n1 ,2 [C]/N=C(\C(=[CH])[O])c1nc(C([O])=O)ccc1[O]. Metal clusters: 6 [Cu]. The MOF has largest included sphere 3.91 A, density 2.32 g/cm3, surface area 2580.93 m2/g, accessible volume 0.07 cm3/g