Cu2C16N4H8O9 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form distorted corner-sharing CuNO5 octahedra. The corner-sharing octahedral tilt angles are 58°. The Cu(1)-N(1) bond length is 2.00 Å. The Cu(1)-O(2) bond length is 1.97 Å. The Cu(1)-O(4) bond length is 2.34 Å. The Cu(1)-O(5) bond length is 2.53 Å. The Cu(1)-O(6) bond length is 1.99 Å. The Cu(1)-O(8) bond length is 2.01 Å. In the second Cu site, Cu(2) is bonded to one N(2), one O(3), one O(4), one O(5), one O(7), and one O(9) atom to form distorted corner-sharing CuNO5 octahedra. The corner-sharing octahedral tilt angles are 58°. The Cu(2)-N(2) bond length is 2.00 Å. The Cu(2)-O(3) bond length is 1.97 Å. The Cu(2)-O(4) bond length is 2.54 Å. The Cu(2)-O(5) bond length is 2.34 Å. The Cu(2)-O(7) bond length is 1.99 Å. The Cu(2)-O(9) bond length is 2.01 Å. There are thirteen inequivalent C sites. In the first C site, C(1,2) is bonded in a trigonal planar geometry to one C(11,12); one C(3,4); and one C(9) atom. The C(1,2)-C(11,12) bond length is 1.45 Å. The C(1,2)-C(3,4) bond length is 1.40 Å. The C(1,2)-C(9) bond length is 1.40 Å. In the second C site, C(3,4) is bonded in a distorted single-bond geometry to one C(1,2) and one H(1,2) atom. The C(3,4)-H(1,2) bond length is 1.09 Å. In the third C site, C(5) is bonded in a distorted trigonal planar geometry to one N(1) and one H(3) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(3) bond length is 1.09 Å. In the fourth C site, C(6) is bonded in a distorted trigonal planar geometry to one N(2) and one H(4) atom. The C(6)-N(2) bond length is 1.35 Å. The C(6)-H(4) bond length is 1.09 Å. In the fifth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(9), one N(1), and one H(5) atom. The C(7)-C(9) bond length is 1.39 Å. The C(7)-N(1) bond length is 1.35 Å. The C(7)-H(5) bond length is 1.09 Å. In the sixth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(10), one N(2), and one H(6) atom. The C(8)-C(10) bond length is 1.39 Å. The C(8)-N(2) bond length is 1.35 Å. The C(8)-H(6) bond length is 1.09 Å. In the seventh C site, C(9) is bonded in a distorted trigonal planar geometry to one C(1,2); one C(7); and one H(7,8) atom. The C(9)-H(7,8) bond length is 1.09 Å. In the eighth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(1,2); one C(8); and one H(7,8) atom. The C(10)-C(1,2) bond length is 1.40 Å. The C(10)-H(7,8) bond length is 1.09 Å. In the ninth C site, C(11,12) is bonded in a 2-coordinate geometry to one C(1,2); one N(3,4); and one O(1) atom. The C(11,12)-N(3,4) bond length is 1.31 Å. The C(11,12)-O(1) bond length is 1.37 Å. In the tenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. The C(13)-O(2) bond length is 1.28 Å. The C(13)-O(4) bond length is 1.26 Å. In the eleventh C site, C(14) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(5) atom. The C(14)-O(3) bond length is 1.28 Å. The C(14)-O(5) bond length is 1.26 Å. In the twelfth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one O(6) and one O(8) atom. The C(15)-O(6) bond length is 1.27 Å. The C(15)-O(8) bond length is 1.26 Å. In the thirteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one O(7) and one O(9) atom. The C(16)-O(7) bond length is 1.27 Å. The C(16)-O(9) bond length is 1.26 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(5), and one C(7) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(6), and one C(8) atom. In the third N site, N(3,4) is bonded in a distorted single-bond geometry to one C(11,12) atom. There are six inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(3,4) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(6) 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. In the sixth H site, H(7,8) is bonded in a single-bond geometry to one C(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent C(11,12) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(13) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(14) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), and one C(13) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), and one C(14) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Cu(1) and one C(15) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Cu(2) and one C(16) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Cu(1) and one C(15) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Cu(2) and one C(16) atom. Linkers: 4 [O]C(=O)C([O])=O ,2 c1cc(-c2nnc(-c3ccncc3)o2)ccn1. Metal clusters: 4 [Cu]. The MOF has largest included sphere 3.36 A, density 1.65 g/cm3, surface area 3636.30 m2/g, accessible volume 0.19 cm3/g