CuC17N5H10O4 crystallizes in the triclinic P-1 space group. Cu(1) is bonded in a trigonal bipyramidal geometry to one N(1), one N(5), one O(1), one O(3), and one O(4) atom. The Cu(1)-N(1) bond length is 2.01 Å. The Cu(1)-N(5) bond length is 2.02 Å. The Cu(1)-O(1) bond length is 2.26 Å. The Cu(1)-O(3) bond length is 2.08 Å. The Cu(1)-O(4) bond length is 2.02 Å. There are seventeen inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.51 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(2) bond length is 1.27 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(4) bond length is 1.40 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(1) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(5) atom. The C(4)-C(5) bond length is 1.51 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(3), and one O(4) atom. The C(5)-O(3) bond length is 1.27 Å. The C(5)-O(4) bond length is 1.28 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(7), one N(1), and one H(2) atom. The C(6)-C(7) bond length is 1.38 Å. The C(6)-N(1) bond length is 1.35 Å. The C(6)-H(2) bond length is 1.08 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(3) atom. The C(7)-C(8) bond length is 1.40 Å. The C(7)-H(3) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(11), one C(7), and one C(9) atom. The C(8)-C(11) bond length is 1.46 Å. The C(8)-C(9) bond length is 1.40 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(10), one C(8), and one H(4) atom. The C(9)-C(10) bond length is 1.39 Å. The C(9)-H(4) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(9), one N(1), and one H(5) atom. The C(10)-N(1) bond length is 1.35 Å. The C(10)-H(5) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(8), one N(2), and one N(3) atom. The C(11)-N(2) bond length is 1.36 Å. The C(11)-N(3) bond length is 1.35 Å. In the twelfth C site, C(12) is bonded in a distorted water-like geometry to one C(13), one N(2), and one N(4) atom. The C(12)-C(13) bond length is 1.46 Å. The C(12)-N(2) bond length is 1.34 Å. The C(12)-N(4) bond length is 1.36 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(17) atom. The C(13)-C(14) bond length is 1.40 Å. The C(13)-C(17) bond length is 1.40 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one C(15), and one H(6) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-H(6) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(14) and one H(7) atom. The C(15)-H(7) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(8) atom. The C(16)-N(5) bond length is 1.35 Å. The C(16)-H(8) bond length is 1.08 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(13), one N(5), and one H(9) atom. The C(17)-N(5) bond length is 1.34 Å. The C(17)-H(9) bond length is 1.09 Å. There are five inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(10), and one C(6) atom. In the second N site, N(2) is bonded in a water-like geometry to one C(11) and one C(12) atom. In the third N site, N(3) is bonded in a distorted water-like geometry to one C(11) and one N(4) atom. The N(3)-N(4) bond length is 1.34 Å. In the fourth N site, N(4) is bonded in a 2-coordinate geometry to one C(12), one N(3), and one H(10) atom. The N(4)-H(10) bond length is 1.07 Å. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(1), one C(16), and one C(17) atom. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(15) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(16) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(17) atom. In the tenth H site, H(10) is bonded in a distorted linear geometry to one N(4) and one O(2) atom. The H(10)-O(2) bond length is 1.61 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one C(1) and one H(10) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one C(5) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(5) atom. Linkers: 2 c1cncc(-c2nc(-c3ccncc3)n[nH]2)c1 ,1 [O]C(=O)c1cc(C([O])=O)c(C([O])=O)cc1[C]=O. Metal clusters: 1 O=[C]O[Cu]1O[C]O[Cu](O[C]=O)O[C]O1. The MOF has largest included sphere 4.07 A, density 1.64 g/cm3, surface area 3722.26 m2/g, accessible volume 0.17 cm3/g