CuH20(C13N4)2Cu2C20NH12O8 is Indium-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is zero-dimensional and consists of four Cu2C20NH12O8 clusters and four CuH20(C13N4)2 clusters. In each Cu2C20NH12O8 cluster, there are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square pyramidal geometry to one N(3) and four equivalent O(1) atoms. The Cu(1)-N(3) bond length is 2.17 Å. All Cu(1)-O(1) bond lengths are 1.96 Å. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to four equivalent O(2) atoms. All Cu(2)-O(2) bond lengths are 1.96 Å. There are five inequivalent C sites. In the first C site, C(6) is bonded in a distorted single-bond geometry to one C(7) and one H(4) atom. The C(6)-C(7) bond length is 1.38 Å. The C(6)-H(4) bond length is 0.95 Å. In the second C site, C(7) is bonded in a trigonal planar geometry to one C(10), one C(6), and one C(8) atom. The C(7)-C(10) bond length is 1.50 Å. The C(7)-C(8) bond length is 1.38 Å. In the third C site, C(8) is bonded in a distorted single-bond geometry to one C(7) and one H(5) atom. The C(8)-H(5) bond length is 0.95 Å. In the fourth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(1), and one O(2) atom. The C(10)-O(1) bond length is 1.28 Å. The C(10)-O(2) bond length is 1.25 Å. In the fifth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(7) atom. The C(11)-N(3) bond length is 1.34 Å. The C(11)-H(7) bond length is 0.95 Å. N(3) is bonded in a 5-coordinate geometry to one Cu(1) and four equivalent C(11) atoms. There are three inequivalent H sites. In the first H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the second H site, H(5) is bonded in a single-bond geometry to one C(8) atom. In the third H site, H(7) is bonded in a single-bond geometry to one C(11) atom. There are two 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(10) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(10) atom. In each CuH20(C13N4)2 cluster, Cu(3) is bonded in a square co-planar geometry to four equivalent N(2) atoms. All Cu(3)-N(2) bond lengths are 2.01 Å. There are seven inequivalent C sites. In the first C site, C(12) is bonded in a tetrahedral geometry to two equivalent N(1) and two equivalent H(8,9) atoms. Both C(12)-N(1) bond lengths are 1.45 Å. Both C(12)-H(8,9) bond lengths are 0.99 Å. In the second C site, C(1) is bonded in a 2-coordinate geometry to one C(2), one N(2), and one H(1) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-N(2) bond length is 1.33 Å. The C(1)-H(1) bond length is 0.95 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(2), one N(1), and one H(2) atom. The C(3)-C(2) bond length is 1.37 Å. The C(3)-N(1) bond length is 1.34 Å. The C(3)-H(2) bond length is 0.95 Å. In the fourth 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(4) bond length is 1.48 Å. In the fifth C site, C(4) is bonded in a trigonal planar geometry to one C(2), one C(5), and one C(9) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-C(9) bond length is 1.38 Å. In the sixth C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one H(3) atom. The C(5)-H(3) bond length is 0.95 Å. In the seventh C site, C(9) is bonded in a distorted single-bond geometry to one C(4) and one H(6) atom. The C(9)-H(6) bond length is 0.95 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one C(12), one C(3), and one N(2) atom. The N(1)-N(2) bond length is 1.36 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cu(3), one C(1), and one N(1) atom. There are five inequivalent H sites. In the first H site, H(8,9) is bonded in a single-bond geometry to one C(12) atom. In the second H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(2) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. Linkers: 1 [C@@H]12[C@@H]3[N@@]42[C@@H]2[C@H]4[C@@H]4[N@]5([C@H]1[C@H]35)[C@H]24 ,3 [O]C(=O)c1ccc(C2=CN3CN4C=C(c5ccc(C([O])=O)cc5)[CH]N4[Cu]4(N3[CH]2)N2[CH]C(c3ccc(C([O])=O)cc3)=CN2CN2C=C(c3ccc(C([O])=O)cc3)[CH]N24)cc1 ,1 [O]C(=O)c1ccc(C2=CN3CN4C=C(c5ccc(C([O])=O)cc5)[CH]N4[Cu]4(N3[CH]2)N2C=C(c3ccc(C([O])=O)cc3)[CH]N2CN2[CH]C(c3ccc(C([O])=O)cc3)=CN24)cc1 ,1 [O]C(=O)c1ccc(C2=CN3CN4[CH]C(c5ccc(C([O])=O)cc5)=CN4[Cu]4(N3[CH]2)N2[CH]C(c3ccc(C([O])=O)cc3)=CN2CN2[CH]C(c3ccc(C([O])=O)cc3)=CN24)cc1 ,1 [C@@H]12[C@@H]3[N@@]42[C@@H]2[C@H]4[C@@H]4[N@@]5([C@H]1[C@H]35)[C@H]24. 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 9.36 A, density 0.94 g/cm3, surface area 4087.42 m2/g, accessible volume 0.63 cm3/g