Cu3C12H8(N7O2)2 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(1), one N(17), one N(18), one N(25), one N(5), and one O(1) atom to form distorted CuN5O octahedra that share corners with two equivalent Cu(2)N5O octahedra and  an edgeedge with one Cu(5)N4O2 octahedra. The corner-sharing octahedral tilt angles are 42°. The Cu(1)-N(1) bond length is 2.02 Å. The Cu(1)-N(17) bond length is 2.40 Å. The Cu(1)-N(18) bond length is 2.04 Å. The Cu(1)-N(25) bond length is 2.50 Å. The Cu(1)-N(5) bond length is 2.03 Å. The Cu(1)-O(1) bond length is 2.04 Å. In the second Cu site, Cu(2) is bonded to one N(17), one N(18), one N(2), one N(26), one N(6), and one O(2) atom to form distorted CuN5O octahedra that share corners with two equivalent Cu(1)N5O octahedra and  an edgeedge with one Cu(6)N4O2 octahedra. The corner-sharing octahedral tilt angles are 42°. The Cu(2)-N(17) bond length is 2.04 Å. The Cu(2)-N(18) bond length is 2.40 Å. The Cu(2)-N(2) bond length is 2.02 Å. The Cu(2)-N(26) bond length is 2.50 Å. The Cu(2)-N(6) bond length is 2.03 Å. The Cu(2)-O(2) bond length is 2.04 Å. In the third Cu site, Cu(3) is bonded to one N(19), one N(20), one N(27), one N(3), one N(7), and one O(3) atom to form distorted CuN5O octahedra that share corners with two equivalent Cu(4)N5O octahedra and  an edgeedge with one Cu(5)N4O2 octahedra. The corner-sharing octahedral tilt angles are 43°. The Cu(3)-N(19) bond length is 2.39 Å. The Cu(3)-N(20) bond length is 2.05 Å. The Cu(3)-N(27) bond length is 2.46 Å. The Cu(3)-N(3) bond length is 2.02 Å. The Cu(3)-N(7) bond length is 2.04 Å. The Cu(3)-O(3) bond length is 2.03 Å. In the fourth Cu site, Cu(4) is bonded to one N(19), one N(20), one N(28), one N(4), one N(8), and one O(4) atom to form distorted CuN5O octahedra that share corners with two equivalent Cu(3)N5O octahedra and  an edgeedge with one Cu(6)N4O2 octahedra. The corner-sharing octahedral tilt angles are 43°. The Cu(4)-N(19) bond length is 2.05 Å. The Cu(4)-N(20) bond length is 2.39 Å. The Cu(4)-N(28) bond length is 2.46 Å. The Cu(4)-N(4) bond length is 2.03 Å. The Cu(4)-N(8) bond length is 2.03 Å. The Cu(4)-O(4) bond length is 2.03 Å. In the fifth Cu site, Cu(5) is bonded to one N(25), one N(27), one N(5), one N(7), one O(5), and one O(7) atom to form distorted edge-sharing CuN4O2 octahedra. The Cu(5)-N(25) bond length is 2.49 Å. The Cu(5)-N(27) bond length is 2.50 Å. The Cu(5)-N(5) bond length is 2.02 Å. The Cu(5)-N(7) bond length is 2.02 Å. The Cu(5)-O(5) bond length is 1.96 Å. The Cu(5)-O(7) bond length is 1.96 Å. In the sixth Cu site, Cu(6) is bonded to one N(26), one N(28), one N(6), one N(8), one O(6), and one O(8) atom to form distorted edge-sharing CuN4O2 octahedra. The Cu(6)-N(26) bond length is 2.49 Å. The Cu(6)-N(28) bond length is 2.51 Å. The Cu(6)-N(6) bond length is 2.02 Å. The Cu(6)-N(8) bond length is 2.01 Å. The Cu(6)-O(6) bond length is 1.96 Å. The Cu(6)-O(8) bond length is 1.96 Å. There are twenty-three inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one H(1) atom. The C(1)-C(5) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.35 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(6), one N(2), and one H(2) atom. The C(2)-C(6) bond length is 1.39 Å. The C(2)-N(2) bond length is 1.35 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(7), one N(3), and one H(3) atom. The C(3)-C(7) bond length is 1.39 Å. The C(3)-N(3) bond length is 1.35 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(8), one N(4), and one H(4) atom. The C(4)-C(8) bond length is 1.39 Å. The C(4)-N(4) bond length is 1.35 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(1); one C(9,10); and one H(5,6,8) atom. The C(5)-C(9,10) bond length is 1.40 Å. The C(5)-H(5,6,8) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(2); one C(9,10); and one H(5,6,8) atom. The C(6)-C(9,10) bond length is 1.40 Å. The C(6)-H(5,6,8) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(11), one C(3), and one H(7) atom. The C(7)-C(11) bond length is 1.40 Å. The C(7)-H(7) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(12); one C(4); and one H(5,6,8) atom. The C(8)-C(12) bond length is 1.40 Å. The C(8)-H(5,6,8) bond length is 1.09 Å. In the ninth C site, C(9,10) is bonded in a trigonal planar geometry to one C(13), one C(21), and one C(5) atom. The C(9,10)-C(13) bond length is 1.40 Å. The C(9,10)-C(21) bond length is 1.50 Å. In the tenth C site, C(11) is bonded in a trigonal planar geometry to one C(15), one C(23), and one C(7) atom. The C(11)-C(15) bond length is 1.40 Å. The C(11)-C(23) bond length is 1.50 Å. In the eleventh C site, C(12) is bonded in a trigonal planar geometry to one C(16), one C(24), and one C(8) atom. The C(12)-C(16) bond length is 1.40 Å. The C(12)-C(24) bond length is 1.50 Å. In the twelfth C site, C(13) is bonded in a distorted single-bond geometry to one C(17); one C(9,10); and one H(9,10,12) atom. The C(13)-C(17) bond length is 1.39 Å. The C(13)-H(9,10,12) bond length is 1.09 Å. In the thirteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(18); one C(9,10); and one H(9,10,12) atom. The C(14)-C(18) bond length is 1.39 Å. The C(14)-C(9,10) bond length is 1.40 Å. The C(14)-H(9,10,12) bond length is 1.09 Å. In the fourteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(11), one C(19), and one H(11) atom. The C(15)-C(19) bond length is 1.39 Å. The C(15)-H(11) bond length is 1.09 Å. In the fifteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(12); one C(20); and one H(9,10,12) atom. The C(16)-C(20) bond length is 1.39 Å. The C(16)-H(9,10,12) bond length is 1.09 Å. In the sixteenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(13); one N(1); and one H(13,14) atom. The C(17)-N(1) bond length is 1.35 Å. The C(17)-H(13,14) bond length is 1.09 Å. In the seventeenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(14); one N(2); and one H(13,14) atom. The C(18)-N(2) bond length is 1.35 Å. The C(18)-H(13,14) bond length is 1.09 Å. In the eighteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(15); one N(3); and one H(15,16) atom. The C(19)-N(3) bond length is 1.35 Å. The C(19)-H(15,16) bond length is 1.09 Å. In the nineteenth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(16); one N(4); and one H(15,16) atom. The C(20)-N(4) bond length is 1.35 Å. The C(20)-H(15,16) bond length is 1.09 Å. In the twentieth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(9,10); one O(1); and one O(5) atom. The C(21)-O(1) bond length is 1.27 Å. The C(21)-O(5) bond length is 1.27 Å. In the twenty-first C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(9,10); one O(2); and one O(6) atom. The C(22)-C(9,10) bond length is 1.50 Å. The C(22)-O(2) bond length is 1.27 Å. The C(22)-O(6) bond length is 1.27 Å. In the twenty-second C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(3), and one O(7) atom. The C(23)-O(3) bond length is 1.27 Å. The C(23)-O(7) bond length is 1.27 Å. In the twenty-third C site, C(24) is bonded in a distorted bent 120 degrees geometry to one C(12), one O(4), and one O(8) atom. The C(24)-O(4) bond length is 1.27 Å. The C(24)-O(8) bond length is 1.27 Å. There are twenty-seven 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(17) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(18), and one C(2) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(3), one C(19), and one C(3) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(4), one C(20), and one C(4) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(5), and one N(9) atom. The N(5)-N(9) bond length is 1.22 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(6), and one N(10) atom. The N(6)-N(10) bond length is 1.22 Å. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(5), and one N(11) atom. The N(7)-N(11) bond length is 1.22 Å. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Cu(4), one Cu(6), and one N(12) atom. The N(8)-N(12) bond length is 1.22 Å. In the ninth N site, N(9) is bonded in a linear geometry to one N(13) and one N(5) atom. The N(9)-N(13) bond length is 1.16 Å. In the tenth N site, N(10) is bonded in a linear geometry to one N(14,15) and one N(6) atom. The N(10)-N(14,15) bond length is 1.16 Å. In the eleventh N site, N(11) is bonded in a linear geometry to one N(14,15) and one N(7) atom. The N(11)-N(14,15) bond length is 1.16 Å. In the twelfth N site, N(12) is bonded in a linear geometry to one N(16) and one N(8) atom. The N(12)-N(16) bond length is 1.16 Å. In the thirteenth N site, N(13) is bonded in a single-bond geometry to one N(9) atom. In the fourteenth N site, N(14,15) is bonded in a single-bond geometry to one N(10) atom. In the fifteenth N site, N(16) is bonded in a single-bond geometry to one N(12) atom. In the sixteenth N site, N(17) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one N(21) atom. The N(17)-N(21) bond length is 1.20 Å. In the seventeenth N site, N(18) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one N(22) atom. The N(18)-N(22) bond length is 1.20 Å. In the eighteenth N site, N(19) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one N(23) atom. The N(19)-N(23) bond length is 1.20 Å. In the nineteenth N site, N(20) is bonded in a distorted trigonal planar geometry to one Cu(3), one Cu(4), and one N(24) atom. The N(20)-N(24) bond length is 1.20 Å. In the twentieth N site, N(21) is bonded in a linear geometry to one N(17) and one N(25) atom. The N(21)-N(25) bond length is 1.17 Å. In the twenty-first N site, N(22) is bonded in a linear geometry to one N(18) and one N(26) atom. The N(22)-N(26) bond length is 1.17 Å. In the twenty-second N site, N(23) is bonded in a linear geometry to one N(19) and one N(27) atom. The N(23)-N(27) bond length is 1.17 Å. In the twenty-third N site, N(24) is bonded in a linear geometry to one N(20) and one N(28) atom. The N(24)-N(28) bond length is 1.17 Å. In the twenty-fourth N site, N(25) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(5), and one N(21) atom. In the twenty-fifth N site, N(26) is bonded in a distorted trigonal non-coplanar geometry to one Cu(2), one Cu(6), and one N(22) atom. In the twenty-sixth N site, N(27) is bonded in a distorted trigonal non-coplanar geometry to one Cu(3), one Cu(5), and one N(23) atom. In the twenty-seventh N site, N(28) is bonded in a distorted trigonal non-coplanar geometry to one Cu(4), one Cu(6), and one N(24) atom. There are ten 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(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(5,6,8) is bonded in a single-bond geometry to one C(5) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(9,10,12) is bonded in a single-bond geometry to one C(13) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(15) atom. In the ninth H site, H(13,14) is bonded in a single-bond geometry to one C(17) atom. In the tenth H site, H(15,16) is bonded in a single-bond geometry to one C(19) atom. There are eight 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(21) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(22) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(23) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(24) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(5) and one C(21) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(6) and one C(22) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(5) and one C(23) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(6) and one C(24) atom. Linkers: 4 [O]C(=O)c1ccncc1. Metal clusters: 6 [Cu]. The MOF has largest included sphere 2.27 A, density 2.14 g/cm3, surface area 3293.21 m2/g, accessible volume 0.11 cm3/g