Cu3C68NH32O12C3H2 crystallizes in the tetragonal I4/mcm space group. The structure consists of four 2,3-dimethyl-2-butene molecules inside a Cu3C68NH32O12 framework. In the Cu3C68NH32O12 framework, there are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. All Cu(1)-O(2) bond lengths are 1.93 Å. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. All Cu(2)-O(1) bond lengths are 1.93 Å. In the third Cu site, Cu(3) is bonded in a distorted square pyramidal geometry to one N(1) and four equivalent O(3) atoms. The Cu(3)-N(1) bond length is 2.19 Å. All Cu(3)-O(3) bond lengths are 1.92 Å. There are twenty-one inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(22), one O(1), and one O(3) atom. The C(1)-C(22) bond length is 1.47 Å. The C(1)-O(1) bond length is 1.32 Å. The C(1)-O(3) bond length is 1.23 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(11) and two equivalent C(4) atoms. The C(2)-C(11) bond length is 1.55 Å. Both C(2)-C(4) bond lengths are 1.43 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(22), one C(6), and one H(8) atom. The C(3)-C(22) bond length is 1.39 Å. The C(3)-C(6) bond length is 1.39 Å. The C(3)-H(8) bond length is 0.94 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(14), one C(2), and one H(9) atom. The C(4)-C(14) bond length is 1.33 Å. The C(4)-H(9) bond length is 0.94 Å. In the fifth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(3), one C(7), and one H(1) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-H(1) bond length is 0.94 Å. In the sixth C site, C(7) is bonded in a trigonal planar geometry to one C(10), one C(19), and one C(6) atom. The C(7)-C(10) bond length is 1.39 Å. The C(7)-C(19) bond length is 1.47 Å. In the seventh C site, C(9) is bonded in a trigonal planar geometry to one C(16) and two equivalent C(14) atoms. The C(9)-C(16) bond length is 1.38 Å. Both C(9)-C(14) bond lengths are 1.42 Å. In the eighth C site, C(10) is bonded in a distorted single-bond geometry to one C(7) and one H(2) atom. The C(10)-H(2) bond length is 0.94 Å. In the ninth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(2) and two equivalent O(2) atoms. Both C(11)-O(2) bond lengths are 1.24 Å. In the tenth C site, C(12) is bonded in a trigonal planar geometry to one C(13), one C(17), and one C(18) atom. The C(12)-C(13) bond length is 1.44 Å. The C(12)-C(17) bond length is 1.36 Å. The C(12)-C(18) bond length is 1.35 Å. In the eleventh C site, C(13) is bonded in a linear geometry to one C(12) and one C(19) atom. The C(13)-C(19) bond length is 1.27 Å. In the twelfth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(4), one C(9), and one H(10) atom. The C(14)-H(10) bond length is 0.94 Å. In the thirteenth C site, C(15) is bonded in a trigonal planar geometry to one C(23) and two equivalent C(17) atoms. The C(15)-C(23) bond length is 1.60 Å. Both C(15)-C(17) bond lengths are 1.40 Å. In the fourteenth C site, C(16) is bonded in a linear geometry to one C(23) and one C(9) atom. The C(16)-C(23) bond length is 1.32 Å. In the fifteenth C site, C(17) is bonded in a distorted single-bond geometry to one C(12), one C(15), and one H(4) atom. The C(17)-H(4) bond length is 0.94 Å. In the sixteenth C site, C(18) is bonded in a distorted single-bond geometry to two equivalent C(12) and one H(3) atom. The C(18)-H(3) bond length is 0.94 Å. In the seventeenth C site, C(19) is bonded in a linear geometry to one C(13) and one C(7) atom. In the eighteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(5) atom. The C(20)-N(1) bond length is 1.44 Å. The C(20)-H(5) bond length is 0.94 Å. In the nineteenth C site, C(21) is bonded in a distorted single-bond geometry to 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 twentieth C site, C(22) is bonded in a trigonal planar geometry to one C(1), one C(21), and one C(3) atom. In the twenty-first C site, C(23) is bonded in a linear geometry to one C(15) and one C(16) atom. N(1) is bonded in a trigonal planar geometry to one Cu(3) and two equivalent C(20) atoms. There are nine inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(6) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(10) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(18) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(17) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(20) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(21) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(3) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(4) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(11) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(1) atom. Linkers: 8 [O]C(=O)c1ccc(C#Cc2cc(C#Cc3ccc(C([O])=O)cc3)cc(C#Cc3ccc(C([O])=O)cc3)c2)cc1 ,2 c1cc(-c2ccncc2)ccn1. Metal clusters: 6 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. RCSR code: fjh. The MOF has largest included sphere 19.82 A, density 0.21 g/cm3, surface area 4850.59 m2/g, accessible volume 4.25 cm3/g