CuC15H14(NO)2 crystallizes in the hexagonal P6_122 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent N(1) and two equivalent O(2) atoms. Both Cu(1)-N(1) bond lengths are 2.02 Å. Both Cu(1)-O(2) bond lengths are 1.88 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent N(2) and two equivalent O(1) atoms. Both Cu(2)-N(2) bond lengths are 2.00 Å. Both Cu(2)-O(1) bond lengths are 1.92 Å. There are sixteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-N(1) bond length is 1.39 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one H(2) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-H(2) bond length is 0.93 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(8) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-C(8) bond length is 1.47 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3) and one H(3) atom. The C(4)-H(3) bond length is 0.93 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(4) atom. The C(5)-N(1) bond length is 1.39 Å. The C(5)-H(4) bond length is 0.93 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 H(5) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-N(2) bond length is 1.39 Å. The C(6)-H(5) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one H(6) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-H(6) bond length is 0.93 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(3), one C(7), and one C(9) atom. The C(8)-C(9) bond length is 1.39 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(8) and one H(7) atom. The C(9)-H(7) bond length is 0.93 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(8) atom. The C(10)-N(2) bond length is 1.39 Å. The C(10)-H(8) bond length is 0.93 Å. In the eleventh C site, C(11) is bonded in a trigonal non-coplanar geometry to one C(12) and three equivalent H(9,10,11) atoms. The C(11)-C(12) bond length is 1.48 Å. All C(11)-H(9,10,11) bond lengths are 0.96 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(15), and one O(1) atom. The C(12)-C(15) bond length is 1.41 Å. The C(12)-O(1) bond length is 1.26 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(14), one C(16), and one O(2) atom. The C(13)-C(14) bond length is 1.51 Å. The C(13)-C(16) bond length is 1.35 Å. The C(13)-O(2) bond length is 1.28 Å. In the fourteenth C site, C(14) is bonded in a trigonal non-coplanar geometry to one C(13); one H(13); and two equivalent H(12,14) atoms. The C(14)-H(13) bond length is 0.96 Å. Both C(14)-H(12,14) bond lengths are 0.96 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(16) and two equivalent C(12) atoms. The C(15)-C(16) bond length is 1.60 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(15) and two equivalent C(13) atoms. There are two 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 trigonal planar geometry to one Cu(2), one C(10), and one C(6) atom. There are eleven 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(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(9,10,11) is bonded in a single-bond geometry to one C(11) atom. In the tenth H site, H(12,14) is bonded in a single-bond geometry to one C(14) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one C(14) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(12) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(13) atom. Linkers: 1 [C][C](C)O[Cu@@]([O])(N1[CH]C=C(C2=C[CH]N([Cu@]([O])(OC(=[C])C)N3[CH]C=C(c4ccncc4)C=C3)C=C2)C=C1)N1[CH]C=C(C2=C[CH]N([Cu@@]3(N4[CH]C=C(c5ccncc5)C=C4)O[C](C)C([C](C(C)=O)C(C)=O)=C(C)O3)C=C2)C=C1 ,3 [C][C](C)O[Cu@@]([O])(N1[CH]C=C(C2=C[CH]N([Cu@]([O])(OC(=[C])C)N3[CH]C=C(c4ccncc4)C=C3)C=C2)C=C1)N1[CH]C=C(C2=C[CH]N([Cu@]3(N4[CH]C=C(c5ccncc5)C=C4)O[C](C)C([C](C(C)=O)C(C)=O)=C(C)O3)C=C2)C=C1 ,1 C[C]1O[Cu@](N2[CH]C=C(C3=C[CH]N([Cu@@]4(N5[CH]C=C(C6=C[CH]N([Cu@@]7(N8[CH]C=C(c9ccncc9)C=C8)O[C](C)C([C](C(C)=O)C(C)=O)=C(C)O7)C=C6)C=C5)O[C](C)C(C5=C(C)O[Cu](N6[CH]C=C(c7ccncc7)C=C6)(N6[CH]C=C(c7ccncc7)C=C6)O[C]5C)=C(C)O4)C=C3)C=C2)(N2[CH]C=C(c3ccncc3)C=C2)OC(C)=C1[C](C(C)=O)C(C)=O ,1 C[C]1[C]=C(C)O[Cu@@](N2[CH]C=C(C3=C[CH]N([Cu@]4(N5[CH]C=C(C6=C[CH]N([Cu@@]7(N8[CH]C=C(c9ccncc9)C=C8)O[C](C)C([C](C(C)=O)C(C)=O)=C(C)O7)C=C6)C=C5)O[C](C)C(C5=C(C)O[Cu](N6[CH]C=C(c7ccncc7)C=C6)(N6[CH]C=C(c7ccncc7)C=C6)O[C]5C)=C(C)O4)C=C3)C=C2)(N2[CH]C=C(c3ccncc3)C=C2)O1 ,3 C[C]1[C]=C(C)O[Cu@@](N2[CH]C=C(C3=C[CH]N([Cu@]4(N5[CH]C=C(C6=C[CH]N([Cu@]7(N8[CH]C=C(c9ccncc9)C=C8)O[C](C)C([C](C(C)=O)C(C)=O)=C(C)O7)C=C6)C=C5)O[C](C)C(C5=C(C)O[Cu](N6[CH]C=C(c7ccncc7)C=C6)(N6[CH]C=C(c7ccncc7)C=C6)O[C]5C)=C(C)O4)C=C3)C=C2)(N2[CH]C=C(c3ccncc3)C=C2)O1 ,1 C[C]1O[Cu@](N2[CH]C=C(C3=C[CH]N([Cu]4(N5[CH]C=C(C6=C[CH]N([Cu@]7(N8[CH]C=C(c9ccncc9)C=C8)O[C](C)C([C](C(C)=O)C(C)=O)=C(C)O7)C=C6)C=C5)O[C](C)C(C5=C(C)O[Cu](N6[CH]C=C(c7ccncc7)C=C6)(N6[CH]C=C(c7ccncc7)C=C6)O[C]5C)=C(C)O4)C=C3)C=C2)(N2[CH]C=C(c3ccncc3)C=C2)OC(C)=C1[C](C(C)=O)C(C)=O ,1 C[C]1[C]=C(C)O[Cu@@](N2[CH]C=C(C3=C[CH]N([Cu]4(N5[CH]C=C(C6=C[CH]N([Cu@]7(N8[CH]C=C(c9ccncc9)C=C8)O[C](C)[C]=C(C)O7)C=C6)C=C5)O[C](C)C(C5=C(C)O[Cu](N6[CH]C=C(c7ccncc7)C=C6)(N6[CH]C=C(c7ccncc7)C=C6)O[C]5C)=C(C)O4)C=C3)C=C2)(N2[CH]C=C(c3ccncc3)C=C2)O1 ,1 C[C]1[C]=C(C)O[Cu@@](N2[CH]C=C(C3=C[CH]N([Cu@]4(N5[CH]C=C(C6=C[CH]N([Cu@@]7(N8[CH]C=C(c9ccncc9)C=C8)O[C](C)[C]=C(C)O7)C=C6)C=C5)O[C](C)C(C5=C(C)O[Cu](N6[CH]C=C(c7ccncc7)C=C6)(N6[CH]C=C(c7ccncc7)C=C6)O[C]5C)=C(C)O4)C=C3)C=C2)(N2[CH]C=C(c3ccncc3)C=C2)O1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 8.74 A, density 0.77 g/cm3, surface area 4831.96 m2/g, accessible volume 0.91 cm3/g