Zn3C55H15(NO5)3(CH)6 crystallizes in the trigonal R-3c space group. The structure consists of seventy-two 02329_fluka molecules inside a Zn3C55H15(NO5)3 framework. In the Zn3C55H15(NO5)3 framework, Zn(1) is bonded in a trigonal bipyramidal geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. The Zn(1)-O(1) bond length is 2.04 Å. The Zn(1)-O(2) bond length is 2.02 Å. The Zn(1)-O(3) bond length is 2.01 Å. The Zn(1)-O(4) bond length is 2.05 Å. The Zn(1)-O(5) bond length is 1.98 Å. There are nineteen inequivalent C sites. In the first C site, C(21) is bonded in a 9-coordinate geometry to three equivalent C(19), three equivalent C(20), and three equivalent N(1) atoms. All C(21)-C(19) bond lengths are 1.23 Å. All C(21)-C(20) bond lengths are 1.48 Å. All C(21)-N(1) bond lengths are 1.52 Å. In the second C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(6), and one C(7) atom. The C(1)-C(2) bond length is 1.38 Å. The C(1)-C(6) bond length is 1.37 Å. The C(1)-C(7) bond length is 1.51 Å. In the third C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one H(1) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-H(1) bond length is 0.95 Å. In the fourth C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(8) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-C(8) bond length is 1.50 Å. In the fifth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(2) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(2) bond length is 0.95 Å. In the sixth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(9) atom. The C(5)-C(6) bond length is 1.41 Å. The C(5)-C(9) bond length is 1.48 Å. In the seventh C site, C(6) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(3) atom. The C(6)-H(3) bond length is 0.95 Å. In the eighth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(2) atom. The C(7)-O(1) bond length is 1.25 Å. The C(7)-O(2) bond length is 1.25 Å. In the ninth C site, C(8) is bonded in a bent 120 degrees geometry to one C(3), one O(3), and one O(4) atom. The C(8)-O(3) bond length is 1.26 Å. The C(8)-O(4) bond length is 1.25 Å. In the tenth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(13), and one C(5) atom. The C(9)-C(10) bond length is 1.40 Å. The C(9)-C(13) bond length is 1.41 Å. In the eleventh C site, C(10) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(9) atom. The C(10)-C(11) bond length is 1.43 Å. The C(10)-C(13) bond length is 1.43 Å. In the twelfth C site, C(11) is bonded in a single-bond geometry to one C(10) and one H(4) atom. The C(11)-H(4) bond length is 0.95 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(9) atom. The C(13)-C(14) bond length is 1.43 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(13) and one H(6) atom. The C(14)-H(6) bond length is 0.95 Å. In the fifteenth C site, C(16) is bonded in a distorted water-like geometry to one N(1) and one O(5) atom. The C(16)-N(1) bond length is 1.45 Å. The C(16)-O(5) bond length is 1.22 Å. In the sixteenth C site, C(17) is bonded in a 2-coordinate geometry to one C(20) and one N(1) atom. The C(17)-C(20) bond length is 1.19 Å. The C(17)-N(1) bond length is 1.52 Å. In the seventeenth C site, C(18) is bonded in a distorted water-like geometry to one N(1) and one O(5) atom. The C(18)-N(1) bond length is 1.45 Å. The C(18)-O(5) bond length is 1.22 Å. In the eighteenth C site, C(19) is bonded in a 3-coordinate geometry to one C(21) and two equivalent N(1) atoms. There is one shorter (1.43 Å) and one longer (1.52 Å) C(19)-N(1) bond length. In the nineteenth C site, C(20) is bonded in a 1-coordinate geometry to one C(17), one C(21), and one N(1) atom. The C(20)-N(1) bond length is 1.52 Å. N(1) is bonded in a 7-coordinate geometry to one C(16), one C(17), one C(18), one C(20), one C(21), and two equivalent C(19) atoms. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(11) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(14) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(7) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(7) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(8) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one C(8) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Zn(1), one C(16), and one C(18) atom. Linkers: 20 [O]C(=O)c1cc(C([O])=O)cc(-c2c3ccccc3c(-c3cc(C([O])=O)cc(C([O])=O)c3)c3ccccc23)c1 ,1 [C]1[C][C@@]23[N@@]41[C]1[C@@]4(O1)[C@@]14[C@]53[C@@]36[N@@]7([C@@]82O[C]78)[C][C@@]53[C]1[C][N@@]14[C@]26[C]1O2 ,1 [C][C][N@]12[C]3[C@]45O[C]4[N@@]45[C@]56[C@@]3([C@]3([C@@]72[C]1O7)[C][C][N@@]13[C@]26[C]1O2)[C]5[C]4 ,1 O1[C]2[C@@]31[N@]12[C][C][C@@]21[C@@]14[C]3[N@]3([C][C]1)[C]1[C@@]3([C@@]34[N@]4([C@]52O[C]45)[C][C]3)O1 ,1 [C]1[C][N@]23[C]4[C@@]3([C]3[C@@]56[C@]71[C][N@@]13[C]3[C@@]1([C@]16[C]7[C][N@]61[C@]1([C]25)O[C]61)O3)O4 ,1 [C][C][N@@]12[C]3[C@@]2(O3)[C]2[C@@]34[C]1[C@]15O[C]1[N@@]15[C@]4([C]3[C]1)[C@@]13[N@]2([C][C])[C]1O3 ,1 [C]1[C][C@@]23[N@@]41[C]1[C@@]4(O1)[C]1[C@]43[C@@]35[N@@]6([C@@]72O[C]67)[C][C@@]43[C][C][N@@]21[C@]15[C]2O1 ,2 [C][C][N@]12[C]3[C@]45O[C]4[N@@]45[C]5[C@@]3([C@]3([C@@]62[C]1O6)[C][C][N@@]13[C@]25[C]1O2)[C][C]4 ,1 O1[C]2[C@@]31[N@]12[C][C][C@@]21[C@@]14[C]3[N@]35[C][C]1[C]1[C@@]4([C@]45[C]3O4)[N@]3([C@]42O[C]34)[C]1 ,2 [C][C][N@]12[C]3[C@]2(O3)[C]2[C@]34[C]1[C@@]15O[C]1[N@]5([C]4[C@]14[N@@]2([C][C])[C]1O4)[C][C]3 ,1 [C][C][N@]12[C]3[C@]2(O3)[C]2[C@]34[C]1[C@@]15O[C]1[N@]15[C@@]4([C]3[C]1)[C@]13[N@@]2([C][C])[C]1O3. Metal clusters: 18 [C]1O[Zn]23O[C]O[Zn](O1)(O[C]O2)O[C]O3. RCSR code: nbo. The MOF has largest included sphere 6.92 A, density 1.05 g/cm3, surface area 3777.12 m2/g, accessible volume 0.53 cm3/g