CuC20N4H22O9 is Indium-like structured and crystallizes in the orthorhombic Pmmn space group. The structure is zero-dimensional and consists of two CuC20N4H22O9 clusters. Cu(1) is bonded in a square pyramidal geometry to two equivalent N(1), one O(2), and two equivalent O(1) atoms. Both Cu(1)-N(1) bond lengths are 2.11 Å. The Cu(1)-O(2) bond length is 2.30 Å. Both Cu(1)-O(1) bond lengths are 1.96 Å. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(1), and one H(2) atom. The C(1)-N(1) bond length is 1.48 Å. The C(1)-H(1) bond length is 1.09 Å. The C(1)-H(2) bond length is 1.09 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(3), one C(4), and one C(5) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(4) bond length is 1.52 Å. The C(2)-C(5) bond length is 1.40 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(9), and one H(3) atom. The C(3)-C(9) bond length is 1.39 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 O(1), and one O(3) atom. The C(4)-O(1) bond length is 1.28 Å. The C(4)-O(3) bond length is 1.26 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(2), one C(7), and one H(4) atom. The C(5)-C(7) bond length is 1.39 Å. The C(5)-H(4) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal non-coplanar geometry to one N(1) and two equivalent H(5) atoms. The C(6)-N(1) bond length is 1.48 Å. Both C(6)-H(5) bond lengths are 1.10 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(5), one C(8), and one H(6) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-H(6) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(7), one C(9), and one N(2) atom. The C(8)-C(9) bond length is 1.39 Å. The C(8)-N(2) bond length is 1.47 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(3), one C(8), and one H(7) atom. The C(9)-H(7) bond length is 1.08 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Cu(1), one C(6), and two equivalent C(1) atoms to form corner-sharing NCuC3 tetrahedra. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(8) and two equivalent O(4,5) atoms. Both N(2)-O(4,5) bond lengths are 1.24 Å. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(2) atom. The H(8)-O(2) bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(4) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Cu(1) and two equivalent H(8) atoms. In the third O site, O(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth O site, O(4,5) is bonded in a single-bond geometry to one N(2) atom. Linkers: 2 C1CN2CCN1CC2. Metal clusters: 2 [Cu]. The MOF has largest included sphere 1.47 A, density 1.70 g/cm3, surface area 4420.57 m2/g, accessible volume 0.09 cm3/g