Zn4C31N6H16O13(CH)9H5(C4N3)2 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of seventy-two 02329_fluka molecules, eight H5(C4N3)2 clusters, and eight Zn4C31N6H16O13 clusters. In each H5(C4N3)2 cluster, there are eight inequivalent C sites. In the first C site, C(28) is bonded in a distorted single-bond geometry to one N(6) atom. The C(28)-N(6) bond length is 1.40 Å. In the second C site, C(12) is bonded in a single-bond geometry to one C(13) and one H(6,7) atom. The C(12)-C(13) bond length is 1.38 Å. The C(12)-H(6,7) bond length is 0.95 Å. In the third C site, C(35) is bonded in a distorted single-bond geometry to one N(7) atom. The C(35)-N(7) bond length is 1.39 Å. In the fourth C site, C(39) is bonded in a trigonal planar geometry to one N(4), one N(8), and one N(9) atom. The C(39)-N(4) bond length is 1.36 Å. The C(39)-N(8) bond length is 1.34 Å. The C(39)-N(9) bond length is 1.33 Å. In the fifth C site, C(40) is bonded in a trigonal planar geometry to one N(10), one N(6), and one N(9) atom. The C(40)-N(10) bond length is 1.35 Å. The C(40)-N(6) bond length is 1.36 Å. The C(40)-N(9) bond length is 1.34 Å. In the sixth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one N(4) atom. The C(13)-C(14) bond length is 1.41 Å. The C(13)-N(4) bond length is 1.40 Å. In the seventh C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(6,7) atom. The C(14)-H(6,7) bond length is 0.95 Å. In the eighth C site, C(38) is bonded in a trigonal planar geometry to one N(10), one N(7), and one N(8) atom. The C(38)-N(10) bond length is 1.32 Å. The C(38)-N(7) bond length is 1.37 Å. The C(38)-N(8) bond length is 1.33 Å. There are six inequivalent N sites. In the first N site, N(8) is bonded in a bent 120 degrees geometry to one C(38) and one C(39) atom. In the second N site, N(4) is bonded in a distorted trigonal planar geometry to one C(13), one C(39), and one H(26) atom. The N(4)-H(26) bond length is 0.88 Å. In the third N site, N(6) is bonded in a trigonal planar geometry to one C(28), one C(40), and one H(28) atom. The N(6)-H(28) bond length is 0.88 Å. In the fourth N site, N(7) is bonded in a distorted trigonal planar geometry to one C(35), one C(38), and one H(29) atom. The N(7)-H(29) bond length is 0.88 Å. In the fifth N site, N(9) is bonded in a bent 120 degrees geometry to one C(39) and one C(40) atom. In the sixth N site, N(10) is bonded in a bent 120 degrees geometry to one C(38) and one C(40) atom. There are four inequivalent H sites. In the first H site, H(6,7) is bonded in a single-bond geometry to one C(12) atom. In the second H site, H(28) is bonded in a single-bond geometry to one N(6) atom. In the third H site, H(29) is bonded in a single-bond geometry to one N(7) atom. In the fourth H site, H(26) is bonded in a single-bond geometry to one N(4) atom. In each Zn4C31N6H16O13 cluster, there are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(13), one O(6), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. The Zn(1)-O(1) bond length is 2.00 Å. The Zn(1)-O(13) bond length is 1.92 Å. The Zn(1)-O(6) bond length is 1.98 Å. The Zn(1)-O(9) bond length is 1.94 Å. In the second Zn site, Zn(2) is bonded to one O(13), one O(2), one O(3), and one O(7) atom to form corner-sharing ZnO4 tetrahedra. The Zn(2)-O(13) bond length is 1.90 Å. The Zn(2)-O(2) bond length is 1.94 Å. The Zn(2)-O(3) bond length is 1.96 Å. The Zn(2)-O(7) bond length is 1.92 Å. In the third Zn site, Zn(3) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(12), one O(13), and one O(8) atom. The Zn(3)-O(10) bond length is 2.08 Å. The Zn(3)-O(12) bond length is 2.10 Å. The Zn(3)-O(13) bond length is 2.03 Å. The Zn(3)-O(8) bond length is 2.08 Å. In the fourth Zn site, Zn(4) is bonded to one O(11), one O(13), one O(4), and one O(5) atom to form corner-sharing ZnO4 tetrahedra. The Zn(4)-O(11) bond length is 1.95 Å. The Zn(4)-O(13) bond length is 1.92 Å. The Zn(4)-O(4) bond length is 1.97 Å. The Zn(4)-O(5) bond length is 1.96 Å. There are thirty-one inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.49 Å. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(2) bond length is 1.25 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.38 Å. The C(2)-C(7) bond length is 1.37 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2) and one H(1) atom. The C(3)-H(1) bond length is 0.95 Å. In the fourth C site, C(5) is bonded in a single-bond geometry to one C(6) and one N(1) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-N(1) bond length is 1.38 Å. In the fifth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(3), and one O(4) atom. The C(9)-C(10) bond length is 1.48 Å. The C(9)-O(3) bond length is 1.28 Å. The C(9)-O(4) bond length is 1.25 Å. In the sixth C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(15), and one C(9) atom. The C(10)-C(11) bond length is 1.38 Å. The C(10)-C(15) bond length is 1.39 Å. In the seventh C site, C(11) is bonded in a distorted single-bond geometry to one C(10) and one H(5,8) atom. The C(11)-H(5,8) bond length is 0.95 Å. In the eighth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one H(3) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-H(3) bond length is 0.95 Å. In the ninth C site, C(15) is bonded in a distorted single-bond geometry to one C(10) and one H(5,8) atom. The C(15)-H(5,8) bond length is 0.95 Å. In the tenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(17), one O(5), and one O(6) atom. The C(16)-C(17) bond length is 1.50 Å. The C(16)-O(5) bond length is 1.25 Å. The C(16)-O(6) bond length is 1.26 Å. In the eleventh C site, C(17) is bonded in a trigonal planar geometry to one C(16), one C(18), and one C(22) atom. The C(17)-C(18) bond length is 1.39 Å. The C(17)-C(22) bond length is 1.39 Å. In the twelfth C site, C(18) is bonded in a distorted single-bond geometry to one C(17) and one H(9) atom. The C(18)-H(9) bond length is 0.95 Å. In the thirteenth C site, C(22) is bonded in a distorted single-bond geometry to one C(17) and one H(12) atom. The C(22)-H(12) bond length is 0.95 Å. In the fourteenth C site, C(20) is bonded in a 1-coordinate geometry to one N(5) atom. The C(20)-N(5) bond length is 1.40 Å. In the fifteenth C site, C(23) is bonded in a trigonal planar geometry to one N(12), one N(3), and one N(5) atom. The C(23)-N(12) bond length is 1.34 Å. The C(23)-N(3) bond length is 1.33 Å. The C(23)-N(5) bond length is 1.36 Å. In the sixteenth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one C(25), one O(7), and one O(8) atom. The C(24)-C(25) bond length is 1.49 Å. The C(24)-O(7) bond length is 1.27 Å. The C(24)-O(8) bond length is 1.25 Å. In the seventeenth C site, C(25) is bonded in a trigonal planar geometry to one C(24), one C(26), and one C(30) atom. The C(25)-C(26) bond length is 1.34 Å. The C(25)-C(30) bond length is 1.40 Å. In the eighteenth C site, C(31) is bonded in a bent 120 degrees geometry to one C(32), one O(10), and one O(9) atom. The C(31)-C(32) bond length is 1.47 Å. The C(31)-O(10) bond length is 1.24 Å. The C(31)-O(9) bond length is 1.27 Å. In the nineteenth C site, C(32) is bonded in a trigonal planar geometry to one C(31), one C(33), and one C(37) atom. The C(32)-C(33) bond length is 1.40 Å. The C(32)-C(37) bond length is 1.38 Å. In the twentieth C site, C(33) is bonded in a distorted single-bond geometry to one C(32) and one H(17) atom. The C(33)-H(17) bond length is 0.95 Å. In the twenty-first C site, C(37) is bonded in a distorted single-bond geometry to one C(32) and one H(20) atom. The C(37)-H(20) bond length is 0.95 Å. In the twenty-second C site, C(30) is bonded in a distorted single-bond geometry to one C(25) and one H(16) atom. The C(30)-H(16) bond length is 0.95 Å. In the twenty-third C site, C(41) is bonded in a bent 120 degrees geometry to one C(42), one O(11), and one O(12) atom. The C(41)-C(42) bond length is 1.49 Å. The C(41)-O(11) bond length is 1.28 Å. The C(41)-O(12) bond length is 1.25 Å. In the twenty-fourth C site, C(42) is bonded in a trigonal planar geometry to one C(41), one C(43), and one C(47) atom. The C(42)-C(43) bond length is 1.40 Å. The C(42)-C(47) bond length is 1.38 Å. In the twenty-fifth C site, C(43) is bonded in a distorted single-bond geometry to one C(42) and one H(21) atom. The C(43)-H(21) bond length is 0.95 Å. In the twenty-sixth C site, C(47) is bonded in a distorted single-bond geometry to one C(42) and one H(24) atom. The C(47)-H(24) bond length is 0.95 Å. In the twenty-seventh C site, C(45) is bonded in a distorted single-bond geometry to one N(11) atom. The C(45)-N(11) bond length is 1.41 Å. In the twenty-eighth C site, C(48) is bonded in a trigonal planar geometry to one N(11), one N(12), and one N(2) atom. The C(48)-N(11) bond length is 1.36 Å. The C(48)-N(12) bond length is 1.34 Å. The C(48)-N(2) bond length is 1.35 Å. In the twenty-ninth C site, C(26) is bonded in a distorted single-bond geometry to one C(25) and one H(13) atom. The C(26)-H(13) bond length is 0.95 Å. In the thirtieth C site, C(8) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. The C(8)-N(1) bond length is 1.37 Å. The C(8)-N(2) bond length is 1.32 Å. The C(8)-N(3) bond length is 1.36 Å. In the thirty-first C site, C(7) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(4) atom. The C(7)-H(4) bond length is 0.95 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(5), one C(8), and one H(25) atom. The N(1)-H(25) bond length is 0.88 Å. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(48) and one C(8) atom. In the third N site, N(3) is bonded in a bent 120 degrees geometry to one C(23) and one C(8) atom. In the fourth N site, N(5) is bonded in a distorted single-bond geometry to one C(20), one C(23), and one H(27) atom. The N(5)-H(27) bond length is 0.88 Å. In the fifth N site, N(11) is bonded in a trigonal planar geometry to one C(45), one C(48), and one H(30) atom. The N(11)-H(30) bond length is 0.88 Å. In the sixth N site, N(12) is bonded in a bent 120 degrees geometry to one C(23) and one C(48) atom. There are fifteen 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(3) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(5,8) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(18) atom. In the sixth H site, H(12) is bonded in a single-bond geometry to one C(22) atom. In the seventh H site, H(13) is bonded in a single-bond geometry to one C(26) atom. In the eighth H site, H(16) is bonded in a single-bond geometry to one C(30) atom. In the ninth H site, H(17) is bonded in a single-bond geometry to one C(33) atom. In the tenth H site, H(20) is bonded in a single-bond geometry to one C(37) atom. In the eleventh H site, H(21) is bonded in a single-bond geometry to one C(43) atom. In the twelfth H site, H(24) is bonded in a single-bond geometry to one C(47) atom. In the thirteenth H site, H(25) is bonded in a single-bond geometry to one N(1) atom. In the fourteenth H site, H(27) is bonded in a single-bond geometry to one N(5) atom. In the fifteenth H site, H(30) is bonded in a single-bond geometry to one N(11) atom. There are thirteen inequivalent O sites. In the first O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Zn(3) and one C(24) atom. In the second O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(1) atom. In the third O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(1) atom. In the fourth O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(9) atom. In the fifth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(4) and one C(9) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(4) and one C(16) atom. In the seventh O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(16) atom. In the eighth O site, O(7) is bonded in a bent 120 degrees geometry to one Zn(2) and one C(24) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(31) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Zn(3) and one C(31) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Zn(4) and one C(41) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one C(41) atom. In the thirteenth O site, O(13) is bonded in a tetrahedral geometry to one Zn(1), one Zn(2), one Zn(3), and one Zn(4) atom. Linkers: 16 [O]C(=O)c1ccc(cc1)NC1=NC(=[N]=C([N]1)Nc1ccc(cc1)C(=O)[O])Nc1ccc(cc1)C(=O)[O]. Metal clusters: 8 [C]1O[Zn]2O[C]O[Zn@]34O[C]O[Zn](O1)O[C]O[Zn@](O[C]O2)(O[C]O3)O4. The MOF has largest included sphere 7.46 A, density 0.88 g/cm3, surface area 4176.24 m2/g, accessible volume 0.64 cm3/g