Cu2C5N11H3O2 crystallizes in the monoclinic P2_1 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(11), one N(13), one N(21), one N(5), and one O(1) atom to form CuN4O trigonal bipyramids that share  a cornercorner with one Cu(3)N4O2 octahedra and  an edgeedge with one Cu(4)N6 octahedra. The corner-sharing octahedral tilt angles are 56°. The Cu(1)-N(11) bond length is 2.00 Å. The Cu(1)-N(13) bond length is 2.05 Å. The Cu(1)-N(21) bond length is 2.03 Å. The Cu(1)-N(5) bond length is 1.99 Å. The Cu(1)-O(1) bond length is 2.26 Å. In the second Cu site, Cu(2) is bonded to one N(12), one N(14), one N(22), one N(6), and one O(2) atom to form CuN4O trigonal bipyramids that share  a cornercorner with one Cu(3)N4O2 octahedra and  an edgeedge with one Cu(4)N6 octahedra. The corner-sharing octahedral tilt angles are 56°. The Cu(2)-N(12) bond length is 1.99 Å. The Cu(2)-N(14) bond length is 2.05 Å. The Cu(2)-N(22) bond length is 2.03 Å. The Cu(2)-N(6) bond length is 2.00 Å. The Cu(2)-O(2) bond length is 2.26 Å. In the third Cu site, Cu(3) is bonded to one N(11), one N(12), one N(19), one N(20), one O(3), and one O(4) atom to form corner-sharing CuN4O2 octahedra. The Cu(3)-N(11) bond length is 2.44 Å. The Cu(3)-N(12) bond length is 2.44 Å. The Cu(3)-N(19) bond length is 1.97 Å. The Cu(3)-N(20) bond length is 1.97 Å. The Cu(3)-O(3) bond length is 2.02 Å. The Cu(3)-O(4) bond length is 2.02 Å. In the fourth Cu site, Cu(4) is bonded to one N(13), one N(14), one N(5), one N(6), one N(7), and one N(8) atom to form distorted edge-sharing CuN6 octahedra. The Cu(4)-N(13) bond length is 2.00 Å. The Cu(4)-N(14) bond length is 2.01 Å. The Cu(4)-N(5) bond length is 1.99 Å. The Cu(4)-N(6) bond length is 2.00 Å. The Cu(4)-N(7) bond length is 2.61 Å. The Cu(4)-N(8) bond length is 2.59 Å. There are ten inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(3); one N(19); and one H(1,2) atom. The C(1)-C(3) bond length is 1.39 Å. The C(1)-N(19) bond length is 1.34 Å. The C(1)-H(1,2) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(4); one N(20); and one H(1,2) atom. The C(2)-C(4) bond length is 1.39 Å. The C(2)-N(20) bond length is 1.34 Å. The C(2)-H(1,2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(1), one N(21), and one H(3) atom. The C(3)-N(21) bond length is 1.34 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(22), and one H(4) atom. The C(4)-N(22) bond length is 1.34 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(1), and one O(3) atom. The C(5)-C(9) bond length is 1.51 Å. The C(5)-O(1) bond length is 1.25 Å. The C(5)-O(3) bond length is 1.28 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(2), and one O(4) atom. The C(6)-C(10) bond length is 1.51 Å. The C(6)-O(2) bond length is 1.25 Å. The C(6)-O(4) bond length is 1.29 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(9), one N(21), and one H(5) atom. The C(7)-C(9) bond length is 1.39 Å. The C(7)-N(21) bond length is 1.35 Å. The C(7)-H(5) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(10), one N(22), and one H(6) atom. The C(8)-C(10) bond length is 1.39 Å. The C(8)-N(22) bond length is 1.35 Å. The C(8)-H(6) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one N(19) atom. The C(9)-N(19) bond length is 1.35 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one N(20) atom. The C(10)-N(20) bond length is 1.35 Å. There are twenty-two inequivalent N sites. In the first N site, N(1) is bonded in a single-bond geometry to one N(3) atom. The N(1)-N(3) bond length is 1.16 Å. In the second N site, N(2) is bonded in a single-bond geometry to one N(4) atom. The N(2)-N(4) bond length is 1.16 Å. In the third N site, N(3) is bonded in a linear geometry to one N(1) and one N(5) atom. The N(3)-N(5) bond length is 1.21 Å. In the fourth N site, N(4) is bonded in a linear geometry to one N(2) and one N(6) atom. The N(4)-N(6) bond length is 1.22 Å. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(4), and one N(3) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cu(2), one Cu(4), and one N(4) atom. In the seventh N site, N(7) is bonded in a bent 150 degrees geometry to one Cu(4) and one N(9) atom. The N(7)-N(9) bond length is 1.17 Å. In the eighth N site, N(8) is bonded in a bent 150 degrees geometry to one Cu(4) and one N(10) atom. The N(8)-N(10) bond length is 1.17 Å. In the ninth N site, N(9) is bonded in a linear geometry to one N(11) and one N(7) atom. The N(9)-N(11) bond length is 1.21 Å. In the tenth N site, N(10) is bonded in a linear geometry to one N(12) and one N(8) atom. The N(10)-N(12) bond length is 1.21 Å. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Cu(1), one Cu(3), and one N(9) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Cu(2), one Cu(3), and one N(10) atom. In the thirteenth N site, N(13) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(4), and one N(15) atom. The N(13)-N(15) bond length is 1.22 Å. In the fourteenth N site, N(14) is bonded in a distorted trigonal non-coplanar geometry to one Cu(2), one Cu(4), and one N(16) atom. The N(14)-N(16) bond length is 1.22 Å. In the fifteenth N site, N(15) is bonded in a linear geometry to one N(13) and one N(17) atom. The N(15)-N(17) bond length is 1.16 Å. In the sixteenth N site, N(16) is bonded in a linear geometry to one N(14) and one N(18) atom. The N(16)-N(18) bond length is 1.16 Å. In the seventeenth N site, N(17) is bonded in a single-bond geometry to one N(15) atom. In the eighteenth N site, N(18) is bonded in a single-bond geometry to one N(16) atom. In the nineteenth N site, N(19) is bonded in a trigonal planar geometry to one Cu(3), one C(1), and one C(9) atom. In the twentieth N site, N(20) is bonded in a trigonal planar geometry to one Cu(3), one C(10), and one C(2) atom. In the twenty-first N site, N(21) is bonded in a trigonal planar geometry to one Cu(1), one C(3), and one C(7) atom. In the twenty-second N site, N(22) is bonded in a trigonal planar geometry to one Cu(2), one C(4), and one C(8) atom. There are five inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cu(1) and one C(5) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cu(2) and one C(6) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(5) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(6) atom. Linkers: 4 [O]C(=O)c1cnccn1. Metal clusters: 8 [Cu]. The MOF has largest included sphere 1.96 A, density 2.28 g/cm3, surface area 3387.05 m2/g, accessible volume 0.07 cm3/g