(C)12Zn4C38H17O13 crystallizes in the hexagonal P6_3/m space group. The structure consists of twelve acetylene molecules and twelve cyclobutane molecules inside a Zn4C38H17O13 framework. In the Zn4C38H17O13 framework, there are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form corner-sharing ZnO4 tetrahedra. The Zn(1)-O(1) bond length is 1.85 Å. The Zn(1)-O(3) bond length is 1.88 Å. The Zn(1)-O(4) bond length is 1.91 Å. The Zn(1)-O(6) bond length is 1.89 Å. In the second Zn site, Zn(2) is bonded to one O(6), one O(8), and two equivalent O(2) atoms to form corner-sharing ZnO4 tetrahedra. The Zn(2)-O(6) bond length is 1.98 Å. The Zn(2)-O(8) bond length is 1.98 Å. Both Zn(2)-O(2) bond lengths are 1.84 Å. In the third Zn site, Zn(3) is bonded to one O(6), one O(7), and two equivalent O(5) atoms to form corner-sharing ZnO4 tetrahedra. The Zn(3)-O(6) bond length is 1.97 Å. The Zn(3)-O(7) bond length is 1.90 Å. Both Zn(3)-O(5) bond lengths are 1.97 Å. There are twenty-six inequivalent C sites. In the first C site, C(3) is bonded in a bent 120 degrees geometry to one C(2) and one C(4) atom. The C(3)-C(2) bond length is 1.42 Å. The C(3)-C(4) bond length is 1.47 Å. In the second C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(1) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(1) bond length is 0.94 Å. In the third C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(5)-C(6) bond length is 1.47 Å. The C(5)-C(8) bond length is 1.60 Å. In the fourth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one H(2) atom. The C(6)-C(7) bond length is 1.45 Å. The C(6)-H(2) bond length is 0.94 Å. In the fifth C site, C(7) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one H(3) atom. The C(7)-C(2) bond length is 1.40 Å. The C(7)-H(3) bond length is 0.94 Å. In the sixth C site, C(8) is bonded in a trigonal planar geometry to one C(28), one C(5), and one C(9) atom. The C(8)-C(28) bond length is 1.38 Å. The C(8)-C(9) bond length is 1.40 Å. In the seventh C site, C(9) is bonded in a single-bond geometry to one C(29), one C(8), and one H(4) atom. The C(9)-C(29) bond length is 1.40 Å. The C(9)-H(4) bond length is 0.94 Å. In the eighth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11), one C(30), and one H(5) atom. The C(10)-C(11) bond length is 1.48 Å. The C(10)-C(30) bond length is 1.25 Å. The C(10)-H(5) bond length is 0.94 Å. In the ninth C site, C(11) is bonded in a distorted trigonal planar geometry to one C(10), one C(31), and one H(6) atom. The C(11)-C(31) bond length is 1.34 Å. The C(11)-H(6) bond length is 0.94 Å. In the tenth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(5) atom. The C(12)-O(4) bond length is 1.24 Å. The C(12)-O(5) bond length is 1.23 Å. In the eleventh C site, C(28) is bonded in a distorted single-bond geometry to two equivalent C(8) and one H(11) atom. The C(28)-H(11) bond length is 0.94 Å. In the twelfth C site, C(29) is bonded in a trigonal planar geometry to one C(30) and two equivalent C(9) atoms. The C(29)-C(30) bond length is 1.52 Å. In the thirteenth C site, C(30) is bonded in a trigonal planar geometry to one C(29) and two equivalent C(10) atoms. In the fourteenth C site, C(31) is bonded in a trigonal non-coplanar geometry to one C(32) and two equivalent C(11) atoms. The C(31)-C(32) bond length is 1.64 Å. In the fifteenth C site, C(32) is bonded in a distorted bent 120 degrees geometry to one C(31) and two equivalent O(3) atoms. Both C(32)-O(3) bond lengths are 1.28 Å. In the sixteenth C site, C(19) is bonded in a distorted water-like geometry to one C(20), one O(7), and one O(8) atom. The C(19)-C(20) bond length is 1.45 Å. The C(19)-O(7) bond length is 1.34 Å. The C(19)-O(8) bond length is 1.17 Å. In the seventeenth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(25) atom. The C(20)-C(21) bond length is 1.39 Å. The C(20)-C(25) bond length is 1.39 Å. In the eighteenth C site, C(21) is bonded in a distorted single-bond geometry to one C(20), one C(22), and one H(7) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-H(7) bond length is 0.94 Å. In the nineteenth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(21), one C(23), and one H(8) atom. The C(22)-C(23) bond length is 1.39 Å. The C(22)-H(8) bond length is 0.94 Å. In the twentieth C site, C(23) is bonded in a trigonal planar geometry to one C(22), one C(24), and one C(26) atom. The C(23)-C(24) bond length is 1.39 Å. The C(23)-C(26) bond length is 1.58 Å. In the twenty-first C site, C(24) is bonded in a distorted single-bond geometry to one C(23) and one H(9) atom. The C(24)-H(9) bond length is 0.94 Å. In the twenty-second C site, C(25) is bonded in a single-bond geometry to one C(20) and one H(10) atom. The C(25)-H(10) bond length is 0.94 Å. In the twenty-third C site, C(26) is bonded in a trigonal planar geometry to one C(23) and two equivalent C(27) atoms. There is one shorter (1.33 Å) and one longer (1.37 Å) C(26)-C(27) bond length. In the twenty-fourth C site, C(27) is bonded in a bent 120 degrees geometry to two equivalent C(26) atoms. In the twenty-fifth 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 1.60 Å. The C(1)-O(1) bond length is 1.34 Å. The C(1)-O(2) bond length is 1.27 Å. In the twenty-sixth C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(11) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(21) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(22) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(24) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(25) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(28) atom. There are eight 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(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Zn(2) and one C(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(32) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(1) and one C(12) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(3) and one C(12) atom. In the sixth O site, O(6) is bonded in a tetrahedral geometry to one Zn(2), one Zn(3), and two equivalent Zn(1) atoms. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one C(19) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Zn(2) and one C(19) atom. Linkers: 3 [O]C(=O)[C@]12[C]3[C]4[C]5[C]([C]41)[C]1[C]4[C]2[C]3[C]4[C@]51C([O])=O ,1 [O]C(=O)[C@]12[C]3[C]4[C]5[C]6[C]7[C]3[C]1[C]7[C@]6(C([O])=O)[C]5[C]42 ,6 [O]C(=O)[C]1[C]C=C(c2cc(C3=C[C][C](C([O])=O)[CH][CH]3)cc(-c3ccc(C([O])=O)cc3)c2)[CH][CH]1 ,1 [O]C(=O)C12[C]3[C]4[C]5[C]6[C]4[C]3[C]1[C]1[C]6[C]5[C]12.[O][C]=O ,2 [O]C(=O)c1ccc(-c2[c]c(-c3ccc(C([O])=O)cc3)[c]c(-c3ccc(C([O])=O)cc3)[c]2)cc1 ,1 [C]12[C]3[C]4[C]5[C]6[C]1C1=C6C5=C4C3=C21.[O][C]=O.[O][C]=O. Metal clusters: 6 [C]1O[Zn]2O[C]O[Zn@]34O[C]O[Zn](O1)O[C]O[Zn@](O[C]O2)(O[C]O3)O4. RCSR code: muo. The MOF has largest included sphere 23.88 A, density 0.42 g/cm3, surface area 3923.46 m2/g, accessible volume 1.96 cm3/g