CuC13N3H8O5 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(2), and two equivalent O(4) atoms. The Cu(1)-O(6) bond length is 2.33 Å. Both Cu(1)-O(2) bond lengths are 1.97 Å. Both Cu(1)-O(4) bond lengths are 2.00 Å. In the second Cu site, Cu(2) is bonded in a distorted square pyramidal geometry to one O(5), two equivalent O(1), and two equivalent O(3) atoms. The Cu(2)-O(5) bond length is 2.30 Å. Both Cu(2)-O(1) bond lengths are 1.97 Å. Both Cu(2)-O(3) bond lengths are 2.00 Å. There are fourteen inequivalent C sites. In the first C site, C(14) is bonded in a trigonal planar geometry to two equivalent C(13) and one H(7) atom. Both C(14)-C(13) bond lengths are 1.39 Å. The C(14)-H(7) bond length is 1.09 Å. In the second C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(1), and one O(3) atom. The C(1)-C(7) bond length is 1.50 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(3) bond length is 1.28 Å. In the third C site, C(2) is bonded in a bent 120 degrees geometry to one C(3), one O(2), and one O(4) atom. The C(2)-C(3) bond length is 1.49 Å. The C(2)-O(2) bond length is 1.28 Å. The C(2)-O(4) bond length is 1.28 Å. In the fourth C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-C(6) bond length is 1.40 Å. In the fifth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(1) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(1) bond length is 1.09 Å. In the sixth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(8), and one N(1) atom. The C(5)-C(8) bond length is 1.40 Å. The C(5)-N(1) bond length is 1.41 Å. In the seventh C site, C(6) is bonded in a distorted single-bond geometry to one C(3), one C(7), and one H(2) atom. The C(6)-C(7) bond length is 1.40 Å. The C(6)-H(2) bond length is 1.09 Å. In the eighth C site, C(7) is bonded in a trigonal planar geometry to one C(1), one C(6), and one C(8) atom. The C(7)-C(8) bond length is 1.40 Å. In the ninth C site, C(8) is bonded in a distorted single-bond geometry to one C(5), one C(7), and one H(3) atom. The C(8)-H(3) bond length is 1.09 Å. In the tenth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10), one N(1), and one H(4) atom. The C(9)-C(10) bond length is 1.38 Å. The C(9)-N(1) bond length is 1.36 Å. The C(9)-H(4) bond length is 1.08 Å. In the eleventh C site, C(10) is bonded in a distorted single-bond geometry to one C(12), one C(9), and one N(3) atom. The C(10)-C(12) bond length is 1.46 Å. The C(10)-N(3) bond length is 1.38 Å. In the twelfth C site, C(11) is bonded in a distorted trigonal planar geometry to two equivalent C(12) and one H(5) atom. Both C(11)-C(12) bond lengths are 1.40 Å. The C(11)-H(5) bond length is 1.09 Å. In the thirteenth C site, C(12) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(13) atom. The C(12)-C(13) bond length is 1.40 Å. In the fourteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(12), one C(14), and one H(6) atom. The C(13)-H(6) bond length is 1.09 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one C(5), one C(9), and one N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the second N site, N(2) is bonded in a water-like geometry to one N(1) and one N(3) atom. The N(2)-N(3) bond length is 1.30 Å. In the third N site, N(3) is bonded in a single-bond geometry to one C(10) and one N(2) atom. There are nine inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(4) 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(8) 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(11) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(14) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(5) atom. The H(8)-O(5) bond length is 0.97 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(6) atom. The H(9)-O(6) bond length is 0.97 Å. There are six 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(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Cu(2) and two equivalent H(8) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent H(9) atoms. Linkers: 4 [O]C(=O)c1cc(C([O])=O)cc(-n2cc(-c3cccc(-c4cn(-c5cc(C([O])=O)cc(C([O])=O)c5)nn4)c3)nn2)c1. Metal clusters: 4 O.O.[C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. RCSR code: ssb. The MOF has largest included sphere 11.17 A, density 0.68 g/cm3, surface area 4341.06 m2/g, accessible volume 1.05 cm3/g