MnC8H5O5(CuC2NH2I)2 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four CuC2NH2I clusters and four MnC8H5O5 clusters. In each CuC2NH2I cluster, there are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 1-coordinate geometry to one N(4), one I(1), one I(2), and one I(4) atom. The Cu(1)-N(4) bond length is 2.06 Å. The Cu(1)-I(1) bond length is 2.66 Å. The Cu(1)-I(2) bond length is 2.70 Å. The Cu(1)-I(4) bond length is 2.78 Å. In the second Cu site, Cu(2) is bonded in a distorted single-bond geometry to one N(2), one I(1), one I(3), and one I(4) atom. The Cu(2)-N(2) bond length is 2.01 Å. The Cu(2)-I(1) bond length is 2.71 Å. The Cu(2)-I(3) bond length is 2.68 Å. The Cu(2)-I(4) bond length is 2.67 Å. In the third Cu site, Cu(3) is bonded in a 1-coordinate geometry to one N(3), one I(2), one I(3), and one I(4) atom. The Cu(3)-N(3) bond length is 2.04 Å. The Cu(3)-I(2) bond length is 2.66 Å. The Cu(3)-I(3) bond length is 2.67 Å. The Cu(3)-I(4) bond length is 2.72 Å. In the fourth Cu site, Cu(4) is bonded in a distorted single-bond geometry to one N(1), one I(1), one I(2), and one I(3) atom. The Cu(4)-N(1) bond length is 2.00 Å. The Cu(4)-I(1) bond length is 2.66 Å. The Cu(4)-I(2) bond length is 2.71 Å. The Cu(4)-I(3) bond length is 2.73 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(3) atom. The C(1)-N(2) bond length is 1.34 Å. The C(1)-H(3) bond length is 0.93 Å. In the second C site, C(3) is bonded in a distorted bent 120 degrees geometry to one N(4) and one H(5) atom. The C(3)-N(4) bond length is 1.28 Å. The C(3)-H(5) bond length is 0.93 Å. In the third C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(6) atom. The C(4)-N(1) bond length is 1.30 Å. The C(4)-H(6) bond length is 0.93 Å. In the fourth C site, C(8) is bonded in a 2-coordinate geometry to one N(4) and one H(9) atom. The C(8)-N(4) bond length is 1.33 Å. The C(8)-H(9) bond length is 0.93 Å. In the fifth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(10) atom. The C(9)-N(1) bond length is 1.28 Å. The C(9)-H(10) bond length is 0.93 Å. In the sixth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(11) atom. The C(11)-N(3) bond length is 1.29 Å. The C(11)-H(11) bond length is 0.93 Å. In the seventh C site, C(12) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(12) atom. The C(12)-N(3) bond length is 1.31 Å. The C(12)-H(12) bond length is 0.93 Å. In the eighth C site, C(22) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(18) atom. The C(22)-N(2) bond length is 1.33 Å. The C(22)-H(18) bond length is 0.93 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(4), one C(4), and one C(9) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2), one C(1), and one C(22) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(3), one C(11), and one C(12) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(1), one C(3), and one C(8) atom. There are eight inequivalent H sites. In the first H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the third H site, H(6) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(9) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(10) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(11) is bonded in a single-bond geometry to one C(11) atom. In the seventh H site, H(12) is bonded in a single-bond geometry to one C(12) atom. In the eighth H site, H(18) is bonded in a single-bond geometry to one C(22) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(4) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one Cu(4) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one Cu(4) atom. In the fourth I site, I(4) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one Cu(3) atom. In each MnC8H5O5 cluster, there are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(10), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. The Mn(1)-O(10) bond length is 2.22 Å. The Mn(1)-O(4) bond length is 2.08 Å. The Mn(1)-O(5) bond length is 2.32 Å. The Mn(1)-O(7) bond length is 2.30 Å. The Mn(1)-O(8) bond length is 2.17 Å. The Mn(1)-O(9) bond length is 2.05 Å. In the second Mn site, Mn(2) is bonded in a distorted square pyramidal geometry to one O(1), one O(10), one O(2), one O(3), and one O(6) atom. The Mn(2)-O(1) bond length is 2.26 Å. The Mn(2)-O(10) bond length is 2.21 Å. The Mn(2)-O(2) bond length is 2.25 Å. The Mn(2)-O(3) bond length is 2.10 Å. The Mn(2)-O(6) bond length is 2.14 Å. There are sixteen inequivalent C sites. In the first C site, C(7) is bonded in a bent 120 degrees geometry to one C(23), one O(10), and one O(7) atom. The C(7)-C(23) bond length is 1.49 Å. The C(7)-O(10) bond length is 1.24 Å. The C(7)-O(7) bond length is 1.28 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(24) and one H(4) atom. The C(2)-C(24) bond length is 1.33 Å. The C(2)-H(4) bond length is 0.93 Å. In the third C site, C(5) is bonded in a distorted single-bond geometry to one C(16) and one H(7,8) atom. The C(5)-C(16) bond length is 1.37 Å. The C(5)-H(7,8) bond length is 0.93 Å. In the fourth C site, C(6) is bonded in a distorted single-bond geometry to one C(16) and one H(7,8) atom. The C(6)-C(16) bond length is 1.37 Å. The C(6)-H(7,8) bond length is 0.93 Å. In the fifth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(17), one O(4), and one O(6) atom. The C(10)-C(17) bond length is 1.53 Å. The C(10)-O(4) bond length is 1.24 Å. The C(10)-O(6) bond length is 1.22 Å. In the sixth C site, C(13) is bonded in a distorted single-bond geometry to one C(17) and one H(13) atom. The C(13)-C(17) bond length is 1.35 Å. The C(13)-H(13) bond length is 0.93 Å. In the seventh C site, C(14) is bonded in a bent 120 degrees geometry to one C(16), one O(5), and one O(8) atom. The C(14)-C(16) bond length is 1.51 Å. The C(14)-O(5) bond length is 1.26 Å. The C(14)-O(8) bond length is 1.22 Å. In the eighth C site, C(16) is bonded in a trigonal planar geometry to one C(14), one C(5), and one C(6) atom. In the ninth C site, C(17) is bonded in a trigonal planar geometry to one C(10), one C(13), and one C(15) atom. The C(17)-C(15) bond length is 1.33 Å. In the tenth C site, C(18) is bonded in a distorted single-bond geometry to one C(23) and one H(15) atom. The C(18)-C(23) bond length is 1.36 Å. The C(18)-H(15) bond length is 0.93 Å. In the eleventh C site, C(19) is bonded in a distorted single-bond geometry to one C(24) and one H(16) atom. The C(19)-C(24) bond length is 1.33 Å. The C(19)-H(16) bond length is 0.93 Å. In the twelfth C site, C(20) is bonded in a distorted single-bond geometry to one C(23) and one H(17) atom. The C(20)-C(23) bond length is 1.38 Å. The C(20)-H(17) bond length is 0.93 Å. In the thirteenth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(24), one O(3), and one O(9) atom. The C(21)-C(24) bond length is 1.57 Å. The C(21)-O(3) bond length is 1.25 Å. The C(21)-O(9) bond length is 1.22 Å. In the fourteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(17) and one H(14) atom. The C(15)-H(14) bond length is 0.93 Å. In the fifteenth C site, C(23) is bonded in a trigonal planar geometry to one C(18), one C(20), and one C(7) atom. In the sixteenth C site, C(24) is bonded in a trigonal planar geometry to one C(19), one C(2), and one C(21) atom. There are nine inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.82 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. The H(2)-O(2) bond length is 0.82 Å. In the third H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fourth H site, H(7,8) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(13) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(14) is bonded in a single-bond geometry to one C(15) atom. In the seventh H site, H(15) is bonded in a single-bond geometry to one C(18) atom. In the eighth H site, H(16) is bonded in a single-bond geometry to one C(19) atom. In the ninth H site, H(17) is bonded in a single-bond geometry to one C(20) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Mn(2) and one H(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Mn(2) and one H(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one C(21) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(10) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Mn(1) and one C(14) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one C(10) atom. In the seventh O site, O(8) is bonded in an L-shaped geometry to one Mn(1) and one C(14) atom. In the eighth O site, O(7) is bonded in an L-shaped geometry to one Mn(1) and one C(7) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(1) and one C(21) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one C(7) atom. Linkers: 14 [O]C(=O)c1ccncc1. Metal clusters: 1 O[Mn]12(O)O[C]O[Mn]3(O[C]O1)(O[C]O3)O[C](C1=C[CH]N([Cu]34(I)[Cu]5[Cu@]3(I)[Cu]54(I)I)C=C1)O2 ,2 O[Mn]12(O)O[C]O[Mn]3(O[C]O1)(O[C]O2)O[C]O3 ,1 O[Mn]12(O)O[C]O[Mn]3(O[C]O1)(O[C]O3)O[C](C1=C[CH]N([Cu@]34[Cu@]5(I)[Cu@@]3(I)[Cu]54(I)I)C=C1)O2 ,2 I[Cu@]12[Cu]3[Cu@@]1(I)[Cu]32(I)I. The MOF has largest included sphere 6.22 A, density 1.34 g/cm3, surface area 2900.72 m2/g, accessible volume 0.53 cm3/g