CuC16NH9O4 crystallizes in the orthorhombic Imma space group. Cu(1) is bonded in a distorted square pyramidal geometry to one N(1), one O(1), one O(2), one O(3), and one O(4) atom. The Cu(1)-N(1) bond length is 2.16 Å. The Cu(1)-O(1) bond length is 1.96 Å. The Cu(1)-O(2) bond length is 1.97 Å. The Cu(1)-O(3) bond length is 2.07 Å. The Cu(1)-O(4) bond length is 2.06 Å. There are seventeen inequivalent C sites. In the first C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one C(5), and one H(7) atom. The C(14)-C(13) bond length is 1.39 Å. The C(14)-C(5) bond length is 1.41 Å. The C(14)-H(7) bond length is 1.09 Å. In the second C site, C(15) is bonded in a distorted trigonal planar geometry to one C(10), one C(8), and one H(8) atom. The C(15)-C(10) bond length is 1.39 Å. The C(15)-C(8) bond length is 1.41 Å. The C(15)-H(8) bond length is 1.09 Å. In the third C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(17), one N(1), and one H(9) atom. The C(16)-C(17) bond length is 1.39 Å. The C(16)-N(1) bond length is 1.34 Å. The C(16)-H(9) bond length is 1.09 Å. In the fourth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(16), one C(5), and one H(10) atom. The C(17)-C(5) bond length is 1.41 Å. The C(17)-H(10) bond length is 1.09 Å. In the fifth C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(3), and one C(7) atom. The C(1)-C(2) bond length is 1.50 Å. The C(1)-C(3) bond length is 1.40 Å. The C(1)-C(7) bond length is 1.41 Å. In the sixth C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(2), and one O(3) atom. The C(2)-O(2) bond length is 1.28 Å. The C(2)-O(3) bond length is 1.27 Å. In the seventh C site, C(3) is bonded in a distorted single-bond geometry to two equivalent C(1) and one H(1) atom. The C(3)-H(1) bond length is 1.09 Å. In the eighth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(1), and one O(4) atom. The C(4)-C(6) bond length is 1.49 Å. The C(4)-O(1) bond length is 1.28 Å. The C(4)-O(4) bond length is 1.27 Å. In the ninth C site, C(5) is bonded in a trigonal planar geometry to one C(14), one C(17), and one C(5) atom. The C(5)-C(5) bond length is 1.48 Å. In the tenth C site, C(6) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(4) atom. The C(6)-C(10) bond length is 1.40 Å. The C(6)-C(12) bond length is 1.40 Å. In the eleventh C site, C(7) is bonded in a trigonal planar geometry to one C(1), one C(8), and one C(9) atom. The C(7)-C(8) bond length is 1.48 Å. The C(7)-C(9) bond length is 1.40 Å. In the twelfth C site, C(8) is bonded in a trigonal planar geometry to one C(11), one C(15), and one C(7) atom. The C(8)-C(11) bond length is 1.40 Å. In the thirteenth C site, C(9) is bonded in a distorted single-bond geometry to two equivalent C(7) and one H(2) atom. The C(9)-H(2) bond length is 1.09 Å. In the fourteenth C site, C(10) is bonded in a distorted single-bond geometry to one C(15), one C(6), and one H(3) atom. The C(10)-H(3) bond length is 1.09 Å. In the fifteenth C site, C(11) is bonded in a distorted single-bond geometry to one C(12), one C(8), and one H(4) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-H(4) bond length is 1.09 Å. In the sixteenth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(11), one C(6), and one H(5) atom. The C(12)-H(5) bond length is 1.09 Å. In the seventeenth C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(14), one N(1), and one H(6) atom. The C(13)-N(1) bond length is 1.34 Å. The C(13)-H(6) bond length is 1.09 Å. N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(13), and one C(16) 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(9) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(10) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(12) 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 C(15) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(16) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(17) atom. 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(4) 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(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(4) atom. Linkers: 4 [O]C(=O)c1ccc(-c2cc(-c3ccc(C([O])=O)cc3)c(C([O])=O)cc2C([O])=O)cc1 ,4 c1cc(-c2ccncc2)ccn1. Metal clusters: 4 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. RCSR code: sql. The MOF has largest included sphere 10.85 A, density 0.74 g/cm3, surface area 4194.97 m2/g, accessible volume 0.86 cm3/g