CuC12N10H8O crystallizes in the monoclinic Pc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in an octahedral geometry to two equivalent N(1,8); two equivalent N(13,19); and two equivalent N(9,15) atoms. Both Cu(1)-N(1,8) bond lengths are 2.03 Å. Both Cu(1)-N(13,19) bond lengths are 2.46 Å. Both Cu(1)-N(9,15) bond lengths are 2.02 Å. In the second Cu site, Cu(2) is bonded in an octahedral geometry to two equivalent N(10,16); two equivalent N(14,20); and two equivalent N(2,7) atoms. Both Cu(2)-N(10,16) bond lengths are 2.01 Å. There is one shorter (2.48 Å) and one longer (2.49 Å) Cu(2)-N(14,20) bond length. Both Cu(2)-N(2,7) bond lengths are 2.03 Å. There are eighteen inequivalent C sites. In the first C site, C(1,20) is bonded in a distorted bent 120 degrees geometry to one C(3,18); one N(1,8); and one H(1,11,12) atom. The C(1,20)-C(3,18) bond length is 1.39 Å. The C(1,20)-N(1,8) bond length is 1.35 Å. The C(1,20)-H(1,11,12) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(4,17); one N(2,7); and one H(2) atom. The C(2)-C(4,17) bond length is 1.39 Å. The C(2)-N(2,7) bond length is 1.35 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3,18) is bonded in a distorted trigonal planar geometry to one C(1,20); one C(5); and one H(3,4,10) atom. The C(3,18)-C(5) bond length is 1.41 Å. The C(3,18)-H(3,4,10) bond length is 1.09 Å. In the fourth C site, C(4,17) is bonded in a distorted trigonal planar geometry to one C(2); one C(6); and one H(3,4,10) atom. The C(4,17)-C(6) bond length is 1.41 Å. The C(4,17)-H(3,4,10) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(11); one C(3,18); and one C(7,24) atom. The C(5)-C(11) bond length is 1.45 Å. The C(5)-C(7,24) bond length is 1.40 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(12); one C(4,17); and one C(8,23) atom. The C(6)-C(12) bond length is 1.45 Å. The C(6)-C(8,23) bond length is 1.40 Å. In the seventh C site, C(7,24) is bonded in a distorted single-bond geometry to one C(5) and one H(5,6,15,16) atom. The C(7,24)-H(5,6,15,16) bond length is 1.09 Å. In the eighth C site, C(8,23) is bonded in a distorted single-bond geometry to one C(6) and one H(5,6,15,16) atom. The C(8,23)-H(5,6,15,16) bond length is 1.09 Å. In the ninth C site, C(9,22) is bonded in a distorted bent 120 degrees geometry to one N(1,8) and one H(7,13,14) atom. The C(9,22)-N(1,8) bond length is 1.35 Å. The C(9,22)-H(7,13,14) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(2,7) and one H(8) atom. The C(10)-N(2,7) bond length is 1.35 Å. The C(10)-H(8) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted water-like geometry to one C(5); one N(3,5); and one O(1) atom. The C(11)-N(3,5) bond length is 1.31 Å. The C(11)-O(1) bond length is 1.37 Å. In the twelfth C site, C(12) is bonded in a distorted water-like geometry to one C(6); one N(4,6); and one O(2) atom. The C(12)-N(4,6) bond length is 1.31 Å. The C(12)-O(2) bond length is 1.37 Å. In the thirteenth C site, C(13) is bonded in a distorted water-like geometry to one C(15); one N(3,5); and one O(1) atom. The C(13)-C(15) bond length is 1.45 Å. The C(13)-N(3,5) bond length is 1.31 Å. The C(13)-O(1) bond length is 1.37 Å. In the fourteenth C site, C(14) is bonded in a distorted water-like geometry to one C(16); one N(4,6); and one O(2) atom. The C(14)-C(16) bond length is 1.45 Å. The C(14)-N(4,6) bond length is 1.31 Å. The C(14)-O(2) bond length is 1.37 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(13); one C(4,17); and one C(8,23) atom. The C(15)-C(4,17) bond length is 1.41 Å. The C(15)-C(8,23) bond length is 1.40 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(14); one C(3,18); and one C(7,24) atom. The C(16)-C(3,18) bond length is 1.41 Å. The C(16)-C(7,24) bond length is 1.40 Å. In the seventeenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(4,17); one N(2,7); and one H(1,11,12) atom. The C(19)-C(4,17) bond length is 1.39 Å. The C(19)-N(2,7) bond length is 1.35 Å. The C(19)-H(1,11,12) bond length is 1.09 Å. In the eighteenth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one N(2,7) and one H(7,13,14) atom. The C(21)-N(2,7) bond length is 1.35 Å. The C(21)-H(7,13,14) bond length is 1.09 Å. There are ten inequivalent N sites. In the first N site, N(1,8) is bonded in a trigonal planar geometry to one Cu(1); one C(1,20); and one C(9,22) atom. In the second N site, N(2,7) is bonded in a trigonal planar geometry to one Cu(2), one C(10), and one C(2) atom. In the third N site, N(3,5) is bonded in a distorted water-like geometry to one C(11) and one N(3,5) atom. The N(3,5)-N(3,5) bond length is 1.39 Å. In the fourth N site, N(4,6) is bonded in a distorted water-like geometry to one C(12) and one N(4,6) atom. The N(4,6)-N(4,6) bond length is 1.39 Å. In the fifth N site, N(9,15) is bonded in a bent 120 degrees geometry to one Cu(1) and one N(11,17) atom. The N(9,15)-N(11,17) bond length is 1.20 Å. In the sixth N site, N(10,16) is bonded in a bent 120 degrees geometry to one Cu(2) and one N(12,18) atom. The N(10,16)-N(12,18) bond length is 1.20 Å. In the seventh N site, N(11,17) is bonded in a linear geometry to one N(13,19) and one N(9,15) atom. The N(11,17)-N(13,19) bond length is 1.17 Å. In the eighth N site, N(12,18) is bonded in a linear geometry to one N(10,16) and one N(14,20) atom. The N(12,18)-N(14,20) bond length is 1.17 Å. In the ninth N site, N(13,19) is bonded in a bent 120 degrees geometry to one Cu(1) and one N(11,17) atom. In the tenth N site, N(14,20) is bonded in a water-like geometry to one Cu(2) and one N(12,18) atom. There are seven inequivalent H sites. In the first H site, H(1,11,12) is bonded in a single-bond geometry to one C(1,20) 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(3,4,10) is bonded in a single-bond geometry to one C(3,18) atom. In the fourth H site, H(5,6,15,16) is bonded in a single-bond geometry to one C(7,24) atom. In the fifth H site, H(7,13,14) is bonded in a single-bond geometry to one C(9,22) atom. In the sixth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(9) is bonded in a single-bond geometry to one C(4,17) atom. The H(9)-C(4,17) bond length is 1.09 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one C(11) and one C(13) atom. In the second O site, O(2) is bonded in a water-like geometry to one C(12) and one C(14) atom. Linkers: 4 c1cc(-c2nnc(-c3ccncc3)o2)ccn1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 4.22 A, density 1.48 g/cm3, surface area 4102.77 m2/g, accessible volume 0.21 cm3/g