Na2Zn3In4C80H38(NO5)6 crystallizes in the tetragonal P4/mbm space group. Na(1) is bonded in a distorted square pyramidal geometry to one O(8), two equivalent O(1), and two equivalent O(4) atoms. The Na(1)-O(8) bond length is 2.47 Å. Both Na(1)-O(1) bond lengths are 2.38 Å. Both Na(1)-O(4) bond lengths are 2.36 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Zn(2), two equivalent N(2), and two equivalent N(3) atoms. The Zn(1)-Zn(2) bond length is 0.75 Å. Both Zn(1)-N(2) bond lengths are 2.05 Å. Both Zn(1)-N(3) bond lengths are 2.08 Å. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one Zn(1), two equivalent N(2), and two equivalent N(3) atoms. Both Zn(2)-N(2) bond lengths are 2.06 Å. Both Zn(2)-N(3) bond lengths are 2.08 Å. In the third Zn site, Zn(3) is bonded in a single-bond geometry to one Zn(3), two equivalent N(1), and two equivalent N(4) atoms. The Zn(3)-Zn(3) bond length is 0.79 Å. Both Zn(3)-N(1) bond lengths are 2.10 Å. Both Zn(3)-N(4) bond lengths are 2.08 Å. In(1) is bonded in a 8-coordinate geometry to one H(7), one O(1), one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. The In(1)-H(7) bond length is 1.71 Å. The In(1)-O(1) bond length is 2.36 Å. The In(1)-O(2) bond length is 2.22 Å. The In(1)-O(3) bond length is 2.12 Å. The In(1)-O(5) bond length is 2.17 Å. The In(1)-O(6) bond length is 2.20 Å. The In(1)-O(7) bond length is 2.42 Å. The In(1)-O(8) bond length is 2.09 Å. There are twenty-four inequivalent C sites. In the first C site, C(18) is bonded in a distorted trigonal planar geometry to one C(20), one C(21), and one N(1) atom. The C(18)-C(20) bond length is 1.40 Å. The C(18)-C(21) bond length is 1.42 Å. The C(18)-N(1) bond length is 1.36 Å. In the second C site, C(17) is bonded in a trigonal planar geometry to one C(20) and two equivalent C(14) atoms. The C(17)-C(20) bond length is 1.50 Å. Both C(17)-C(14) bond lengths are 1.39 Å. In the third C site, C(1) is bonded in a trigonal planar geometry to one C(11), one C(3), and one C(8) atom. The C(1)-C(11) bond length is 1.50 Å. The C(1)-C(3) bond length is 1.39 Å. The C(1)-C(8) bond length is 1.39 Å. In the fourth C site, C(2) is bonded in a trigonal planar geometry to one C(10), one C(3), and one C(6) atom. The C(2)-C(10) bond length is 1.39 Å. The C(2)-C(3) bond length is 1.37 Å. The C(2)-C(6) bond length is 1.51 Å. In the fifth C site, C(3) is bonded in a distorted single-bond geometry to one C(1), one C(2), and one H(1) atom. The C(3)-H(1) bond length is 0.95 Å. In the sixth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(12), one C(6), and one N(2) atom. The C(4)-C(12) bond length is 1.44 Å. The C(4)-C(6) bond length is 1.43 Å. The C(4)-N(2) bond length is 1.37 Å. In the seventh C site, C(5) is bonded in a distorted trigonal planar geometry to one C(13), one C(6), and one N(3) atom. The C(5)-C(13) bond length is 1.45 Å. The C(5)-C(6) bond length is 1.38 Å. The C(5)-N(3) bond length is 1.37 Å. In the eighth C site, C(6) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(5) atom. In the ninth C site, C(7) is bonded in a trigonal planar geometry to one C(10), one C(8), and one C(9) atom. The C(7)-C(10) bond length is 1.38 Å. The C(7)-C(8) bond length is 1.38 Å. The C(7)-C(9) bond length is 1.49 Å. In the tenth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(1), one C(7), and one H(2) atom. The C(8)-H(2) bond length is 0.95 Å. In the eleventh C site, C(9) is bonded in a bent 120 degrees geometry to one C(7), one O(1), and one O(2) atom. The C(9)-O(1) bond length is 1.27 Å. The C(9)-O(2) bond length is 1.26 Å. In the twelfth C site, C(10) is bonded in a distorted single-bond geometry to one C(2), one C(7), and one H(3) atom. The C(10)-H(3) bond length is 0.95 Å. In the thirteenth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(3), and one O(4) atom. The C(11)-O(3) bond length is 1.29 Å. The C(11)-O(4) bond length is 1.24 Å. In the fourteenth C site, C(12) is bonded in a distorted single-bond geometry to one C(4) and one H(4) atom. The C(12)-H(4) bond length is 0.95 Å. In the fifteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(5) and one H(5) atom. The C(13)-H(5) bond length is 0.95 Å. In the sixteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(15), one C(17), and one H(6) atom. The C(14)-C(15) bond length is 1.40 Å. The C(14)-H(6) bond length is 0.95 Å. In the seventeenth C site, C(15) is bonded in a trigonal planar geometry to one C(14), one C(16), and one C(23) atom. The C(15)-C(16) bond length is 1.48 Å. The C(15)-C(23) bond length is 1.38 Å. In the eighteenth C site, C(16) is bonded in a bent 120 degrees geometry to one C(15), one O(6), and one O(7) atom. The C(16)-O(6) bond length is 1.28 Å. The C(16)-O(7) bond length is 1.24 Å. In the nineteenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(20), one C(22), and one N(4) atom. The C(19)-C(20) bond length is 1.41 Å. The C(19)-C(22) bond length is 1.41 Å. The C(19)-N(4) bond length is 1.37 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(17), one C(18), and one C(19) atom. In the twenty-first C site, C(21) is bonded in a distorted single-bond geometry to one C(18) and one H(8) atom. The C(21)-H(8) bond length is 0.95 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one C(19) and one H(9) atom. The C(22)-H(9) bond length is 0.95 Å. In the twenty-third C site, C(23) is bonded in a distorted trigonal planar geometry to two equivalent C(15) and one H(10) atom. The C(23)-H(10) bond length is 0.95 Å. In the twenty-fourth C site, C(24) is bonded in a trigonal planar geometry to one H(12) and two equivalent O(5) atoms. The C(24)-H(12) bond length is 0.95 Å. Both C(24)-O(5) bond lengths are 1.24 Å. There are four inequivalent N sites. In the first N site, N(2) is bonded in a 4-coordinate geometry to one Zn(1), one Zn(2), and two equivalent C(4) atoms. In the second N site, N(3) is bonded in a 4-coordinate geometry to one Zn(1), one Zn(2), and two equivalent C(5) atoms. In the third N site, N(4) is bonded in a 4-coordinate geometry to two equivalent Zn(3) and two equivalent C(19) atoms. In the fourth N site, N(1) is bonded in a distorted water-like geometry to two equivalent Zn(3) and two equivalent C(18) atoms. There are twelve inequivalent H sites. In the first H site, H(8) is bonded in a single-bond geometry to one C(21) atom. In the second H site, H(9) is bonded in a single-bond geometry to one C(22) atom. In the third H site, H(10) is bonded in a single-bond geometry to one C(23) atom. In the fourth H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the fifth H site, H(2) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(3) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(4) is bonded in a single-bond geometry to one C(12) atom. In the eighth H site, H(5) is bonded in a single-bond geometry to one C(13) atom. In the ninth H site, H(6) is bonded in a single-bond geometry to one C(14) atom. In the tenth H site, H(7) is bonded in a distorted single-bond geometry to one In(1) and one O(8) atom. The H(7)-O(8) bond length is 0.84 Å. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(8) atom. The H(11)-O(8) bond length is 0.84 Å. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(24) atom. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), two equivalent In(1), one H(11), and two equivalent H(7) atoms. In the second O site, O(1) is bonded in a distorted T-shaped geometry to one Na(1), one In(1), and one C(9) atom. In the third O site, O(2) is bonded in an L-shaped geometry to one In(1) and one C(9) atom. In the fourth O site, O(3) is bonded in a bent 120 degrees geometry to one In(1) and one C(11) atom. In the fifth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one C(11) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one In(1) and one C(24) atom. In the seventh O site, O(6) is bonded in an L-shaped geometry to one In(1) and one C(16) atom. In the eighth O site, O(7) is bonded in a distorted single-bond geometry to one In(1) and one C(16) atom. Linkers: 6 [O]C(=O)c1cc(C([O])=O)cc(/C2=C3\C=C/C(=C(\c4cc(C([O])=O)cc(C([O])=O)c4)C4=N/C(=C(/c5cc(C([O])=O)cc(C([O])=O)c5)C5=CC=C([N]5)/C(c5cc(C([O])=O)cc(C([O])=O)c5)=C5/C=CC2=N5)C=C4)[N]3)c1. Metal clusters: 4 O.O=[C]O[In]O[CH]O[In]O[C]O[Na].[H].[O][C]=O.[O][C]=O.[O][C]=O.[O][C]=O ,3 O.O=[C]O[In](O[C]O[Na])O[CH]O[In](O[C]=O)O[C]=O.[H].[O][C]=O.[O][C]=O ,1 O.O=[C]O[In](O[C]=O)O[CH]O[In]O[C]O[Na].[H].[O][C]=O.[O][C]=O.[O][C]=O ,4 [N][Zn]([N])[Zn]([N])[N] ,2 [N][Zn][Zn]([N])([N])[N]. RCSR code: msq. The MOF has largest included sphere 9.45 A, density 1.01 g/cm3, surface area 3337.60 m2/g, accessible volume 0.62 cm3/g