Cu3C20H12(NO2)6 crystallizes in the triclinic P-1 space group. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in an octahedral geometry to one O(1), one O(11), one O(12), one O(2), one O(5), and one O(6) atom. The Cu(1)-O(1) bond length is 1.96 Å. The Cu(1)-O(11) bond length is 2.25 Å. The Cu(1)-O(12) bond length is 2.24 Å. The Cu(1)-O(2) bond length is 1.97 Å. The Cu(1)-O(5) bond length is 2.10 Å. The Cu(1)-O(6) bond length is 2.11 Å. In the second Cu site, Cu(2) is bonded in an octahedral geometry to two equivalent N(3), two equivalent O(10), and two equivalent O(3) atoms. Both Cu(2)-N(3) bond lengths are 1.99 Å. Both Cu(2)-O(10) bond lengths are 2.12 Å. Both Cu(2)-O(3) bond lengths are 2.35 Å. In the third Cu site, Cu(3) is bonded in an octahedral geometry to two equivalent N(4), two equivalent O(4), and two equivalent O(9) atoms. Both Cu(3)-N(4) bond lengths are 2.00 Å. Both Cu(3)-O(4) bond lengths are 2.35 Å. Both Cu(3)-O(9) bond lengths are 2.12 Å. In the fourth Cu site, Cu(4) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent O(7) atoms. Both Cu(4)-N(1) bond lengths are 1.98 Å. Both Cu(4)-O(7) bond lengths are 1.94 Å. In the fifth Cu site, Cu(5) is bonded in a square co-planar geometry to two equivalent N(2) and two equivalent O(8) atoms. Both Cu(5)-N(2) bond lengths are 1.98 Å. Both Cu(5)-O(8) bond lengths are 1.94 Å. There are twenty inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(1), and one O(3) atom. The C(1)-C(3) bond length is 1.48 Å. The C(1)-O(1) bond length is 1.29 Å. The C(1)-O(3) bond length is 1.26 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(2), and one O(4) atom. The C(2)-C(4) bond length is 1.48 Å. The C(2)-O(2) bond length is 1.29 Å. The C(2)-O(4) bond length is 1.26 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one N(3) atom. The C(3)-C(5) bond length is 1.39 Å. The C(3)-N(3) bond length is 1.38 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one N(4) atom. The C(4)-C(6) bond length is 1.39 Å. The C(4)-N(4) bond length is 1.38 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(3), one C(7), and one N(1) atom. The C(5)-C(7) bond length is 1.48 Å. The C(5)-N(1) bond length is 1.38 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(4), one C(8), and one N(2) atom. The C(6)-C(8) bond length is 1.48 Å. The C(6)-N(2) bond length is 1.38 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(5), and one O(7) atom. The C(7)-O(5) bond length is 1.26 Å. The C(7)-O(7) bond length is 1.30 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(6), and one O(8) atom. The C(8)-O(6) bond length is 1.26 Å. The C(8)-O(8) bond length is 1.30 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(11), one N(1), and one N(3) atom. The C(9)-C(11) bond length is 1.46 Å. The C(9)-N(1) bond length is 1.36 Å. The C(9)-N(3) bond length is 1.35 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(12), one N(2), and one N(4) atom. The C(10)-C(12) bond length is 1.46 Å. The C(10)-N(2) bond length is 1.36 Å. The C(10)-N(4) bond length is 1.35 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(13), one C(19), and one C(9) atom. The C(11)-C(13) bond length is 1.40 Å. The C(11)-C(19) bond length is 1.40 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(20) atom. The C(12)-C(14) bond length is 1.40 Å. The C(12)-C(20) bond length is 1.40 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(11); one C(15); and one H(1,2) atom. The C(13)-C(15) bond length is 1.38 Å. The C(13)-H(1,2) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(12); one C(16); and one H(1,2) atom. The C(14)-C(16) bond length is 1.38 Å. The C(14)-H(1,2) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(13), one N(5), and one H(3) atom. The C(15)-N(5) bond length is 1.36 Å. The C(15)-H(3) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(14), one N(6), and one H(4) atom. The C(16)-N(6) bond length is 1.36 Å. The C(16)-H(4) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(19); one N(5); and one H(5,6) atom. The C(17)-C(19) bond length is 1.38 Å. The C(17)-N(5) bond length is 1.36 Å. The C(17)-H(5,6) bond length is 1.09 Å. In the eighteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(20); one N(6); and one H(5,6) atom. The C(18)-C(20) bond length is 1.38 Å. The C(18)-N(6) bond length is 1.36 Å. The C(18)-H(5,6) bond length is 1.09 Å. In the nineteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(11); one C(17); and one H(7,8) atom. The C(19)-H(7,8) bond length is 1.09 Å. In the twentieth C site, C(20) is bonded in a distorted single-bond geometry to one C(12); one C(18); and one H(7,8) atom. The C(20)-H(7,8) bond length is 1.09 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cu(4), one C(5), and one C(9) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(5), one C(10), and one C(6) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(2), one C(3), and one C(9) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(3), one C(10), and one C(4) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(15), one C(17), and one O(9) atom. The N(5)-O(9) bond length is 1.32 Å. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(16), one C(18), and one O(10) atom. The N(6)-O(10) bond length is 1.32 Å. There are nine inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(13) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(15) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(16) atom. In the fourth H site, H(5,6) is bonded in a single-bond geometry to one C(17) atom. In the fifth H site, H(7,8) is bonded in a single-bond geometry to one C(19) atom. In the sixth H site, H(9) is bonded in a single-bond geometry to one O(11) atom. The H(9)-O(11) bond length is 0.98 Å. In the seventh H site, H(10) is bonded in a single-bond geometry to one O(12) atom. The H(10)-O(12) bond length is 0.99 Å. In the eighth H site, H(11) is bonded in a single-bond geometry to one O(11) atom. The H(11)-O(11) bond length is 0.98 Å. In the ninth H site, H(12) is bonded in a single-bond geometry to one O(12) atom. The H(12)-O(12) bond length is 0.98 Å. There are twelve 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(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one Cu(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Cu(3) and one C(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(7) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(8) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(7) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(5) and one C(8) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cu(3) and one N(5) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(2) and one N(6) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Cu(1), one H(11), and one H(9) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Cu(1), one H(10), and one H(12) atom. Linkers: 2 [O]C(=O)C1=C(C([O])=O)N=C(c2cc[n+]([O-])cc2)[N]1. Metal clusters: 6 [Cu]. The MOF has largest included sphere 3.23 A, density 1.86 g/cm3, surface area 3064.97 m2/g, accessible volume 0.19 cm3/g