CuC40(N2O)4 crystallizes in the trigonal P3_221 space group. Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(4) atoms. Both Cu(1)-N(1) bond lengths are 2.04 Å. Both Cu(1)-N(4) bond lengths are 2.01 Å. There are twenty inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(2) and one N(1) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-N(1) bond length is 1.28 Å. In the second C site, C(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(3) atom. The C(2)-C(3) bond length is 1.46 Å. In the third C site, C(3) is bonded in a bent 120 degrees geometry to one C(2) and one C(4) atom. The C(3)-C(4) bond length is 1.39 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(5), and one N(2) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-N(2) bond length is 1.42 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(4) and one N(1) atom. The C(5)-N(1) bond length is 1.34 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(7), one N(2), and one O(1) atom. The C(6)-C(7) bond length is 1.53 Å. The C(6)-N(2) bond length is 1.35 Å. The C(6)-O(1) bond length is 1.24 Å. In the seventh C site, C(7) is bonded in a distorted trigonal non-coplanar geometry to one C(6), one C(8), and one N(3) atom. The C(7)-C(8) bond length is 1.46 Å. The C(7)-N(3) bond length is 1.48 Å. In the eighth C site, C(8) is bonded in a bent 120 degrees geometry to one C(7) and one C(9) atom. The C(8)-C(9) bond length is 1.43 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(8) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-C(14) bond length is 1.36 Å. In the tenth C site, C(10) is bonded in a bent 120 degrees geometry to one C(11) and one C(9) atom. The C(10)-C(11) bond length is 1.50 Å. In the eleventh C site, C(11) is bonded in a bent 120 degrees geometry to one C(10) and one C(12) atom. The C(11)-C(12) bond length is 1.32 Å. In the twelfth C site, C(12) is bonded in a bent 120 degrees geometry to one C(11) and one C(13) atom. The C(12)-C(13) bond length is 1.41 Å. In the thirteenth C site, C(13) is bonded in a bent 120 degrees geometry to one C(12) and one C(14) atom. The C(13)-C(14) bond length is 1.40 Å. In the fourteenth C site, C(14) is bonded in a bent 120 degrees geometry to one C(13) and one C(9) atom. In the fifteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(16), one N(3), and one O(2) atom. The C(15)-C(16) bond length is 1.52 Å. The C(15)-N(3) bond length is 1.35 Å. The C(15)-O(2) bond length is 1.20 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(20) atom. The C(16)-C(17) bond length is 1.36 Å. The C(16)-C(20) bond length is 1.41 Å. In the seventeenth C site, C(17) is bonded in a bent 120 degrees geometry to one C(16) and one C(18) atom. The C(17)-C(18) bond length is 1.43 Å. In the eighteenth C site, C(18) is bonded in a bent 120 degrees geometry to one C(17) and one C(19) atom. The C(18)-C(19) bond length is 1.38 Å. In the nineteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(18) and one N(4) atom. The C(19)-N(4) bond length is 1.36 Å. In the twentieth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(16) and one N(4) atom. The C(20)-N(4) bond length is 1.31 Å. There are four 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(5) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(4) and one C(6) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one C(15) and one C(7) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(19), and one C(20) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(6) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(15) atom. Linkers: 6 O=C([N]c1[c][c][c]n[c]1)[C]([C]c1[c][c][c][c][c]1)[N]C(=O)c1[c][c][c]n[c]1. Metal clusters: 3 [Cu]. The MOF has largest included sphere 3.89 A, density 1.22 g/cm3, surface area 5262.73 m2/g, accessible volume 0.22 cm3/g