Cu4C79H12O20 crystallizes in the orthorhombic C222 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. The Cu(1)-O(3) bond length is 1.89 Å. The Cu(1)-O(4) bond length is 1.90 Å. The Cu(1)-O(5) bond length is 2.00 Å. The Cu(1)-O(6) bond length is 2.04 Å. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and one O(8) atom. The Cu(2)-O(1) bond length is 1.99 Å. The Cu(2)-O(2) bond length is 2.00 Å. The Cu(2)-O(7) bond length is 1.85 Å. The Cu(2)-O(8) bond length is 1.81 Å. There are forty inequivalent C sites. In the first C site, C(40) is bonded in a distorted rectangular see-saw-like geometry to two equivalent C(15) and two equivalent C(19) atoms. Both C(40)-C(15) bond lengths are 1.41 Å. Both C(40)-C(19) bond lengths are 1.38 Å. In the second C site, C(1) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(6) atom. The C(1)-C(1) bond length is 1.52 Å. The C(1)-C(2) bond length is 1.39 Å. The C(1)-C(6) bond length is 1.39 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 O(9) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-O(9) bond length is 1.35 Å. In the fourth 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(4) bond length is 1.39 Å. In the fifth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one C(3) and one C(5) atom. The C(4)-C(5) bond length is 1.39 Å. In the sixth C site, C(5) is bonded in a 4-coordinate geometry to one C(10), one C(4), one C(6), and one C(9) atom. The C(5)-C(10) bond length is 1.40 Å. The C(5)-C(6) bond length is 1.39 Å. The C(5)-C(9) bond length is 1.82 Å. In the seventh C site, C(6) is bonded in a trigonal planar geometry to one C(1), one C(5), and one C(7) atom. The C(6)-C(7) bond length is 1.41 Å. In the eighth C site, C(7) is bonded in a bent 120 degrees geometry to one C(6) and one C(8) atom. The C(7)-C(8) bond length is 1.39 Å. In the ninth C site, C(8) is bonded in a bent 120 degrees geometry to one C(7) and one C(9) atom. The C(8)-C(9) bond length is 1.38 Å. In the tenth C site, C(9) is bonded to one C(36), one C(5), one C(8), and two equivalent C(10) atoms to form distorted edge-sharing CC5 trigonal bipyramids. The C(9)-C(36) bond length is 1.43 Å. There is one shorter (1.40 Å) and one longer (1.53 Å) C(9)-C(10) bond length. In the eleventh C site, C(10) is bonded in a 5-coordinate geometry to one C(10), one C(36), one C(5), and two equivalent C(9) atoms. The C(10)-C(10) bond length is 1.43 Å. The C(10)-C(36) bond length is 2.05 Å. In the twelfth C site, C(11) is bonded in a 4-coordinate geometry to one C(11), one C(12), one C(16), and one C(17) atom. The C(11)-C(11) bond length is 1.52 Å. The C(11)-C(12) bond length is 1.39 Å. The C(11)-C(16) bond length is 1.39 Å. The C(11)-C(17) bond length is 1.64 Å. In the thirteenth C site, C(12) is bonded in a 1-coordinate geometry to one C(11), one C(13), and one O(10) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-O(10) bond length is 1.36 Å. In the fourteenth C site, C(13) is bonded in a bent 120 degrees geometry to one C(12) and one C(14) atom. The C(13)-C(14) bond length is 1.39 Å. In the fifteenth C site, C(14) is bonded in a 4-coordinate geometry to one C(13), one C(18), one C(19), and one C(38) atom. The C(14)-C(18) bond length is 0.97 Å. The C(14)-C(19) bond length is 1.14 Å. The C(14)-C(38) bond length is 1.43 Å. In the sixteenth C site, C(15) is bonded in a 2-coordinate geometry to one C(16), one C(18), one C(19), and one C(40) atom. The C(15)-C(16) bond length is 1.39 Å. The C(15)-C(18) bond length is 1.15 Å. The C(15)-C(19) bond length is 0.90 Å. In the seventeenth C site, C(16) is bonded in a 5-coordinate geometry to one C(11), one C(15), one C(16), and two equivalent C(17) atoms. The C(16)-C(16) bond length is 1.47 Å. There is one shorter (1.24 Å) and one longer (1.40 Å) C(16)-C(17) bond length. In the eighteenth C site, C(17) is bonded in a 1-coordinate geometry to one C(11) and two equivalent C(16) atoms. In the nineteenth C site, C(18) is bonded in a distorted L-shaped geometry to one C(14) and one C(15) atom. In the twentieth C site, C(19) is bonded in a distorted L-shaped geometry to one C(14), one C(15), one C(38), and one C(40) atom. The C(19)-C(38) bond length is 1.68 Å. In the twenty-first C site, C(20) is bonded in a trigonal planar geometry to one C(21), one C(25), and one C(37) atom. The C(20)-C(21) bond length is 1.39 Å. The C(20)-C(25) bond length is 1.39 Å. The C(20)-C(37) bond length is 1.43 Å. In the twenty-second C site, C(21) is bonded in a distorted single-bond geometry to one C(20), one C(22), and one H(1) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-H(1) bond length is 0.95 Å. In the twenty-third C site, C(22) is bonded in a trigonal planar geometry to one C(21), one C(23), and one C(27) atom. The C(22)-C(23) bond length is 1.39 Å. The C(22)-C(27) bond length is 1.47 Å. In the twenty-fourth C site, C(23) is bonded in a distorted single-bond geometry to one C(22), one C(24), and one H(2) atom. The C(23)-C(24) bond length is 1.39 Å. The C(23)-H(2) bond length is 0.95 Å. In the twenty-fifth C site, C(24) is bonded in a trigonal planar geometry to one C(23), one C(25), and one C(26) atom. The C(24)-C(25) bond length is 1.39 Å. The C(24)-C(26) bond length is 1.48 Å. In the twenty-sixth C site, C(25) is bonded in a distorted single-bond geometry to one C(20), one C(24), and one H(3) atom. The C(25)-H(3) bond length is 0.95 Å. In the twenty-seventh C site, C(26) is bonded in a bent 120 degrees geometry to one C(24), one O(1), and one O(2) atom. The C(26)-O(1) bond length is 1.28 Å. The C(26)-O(2) bond length is 1.29 Å. In the twenty-eighth C site, C(27) is bonded in a bent 120 degrees geometry to one C(22), one O(3), and one O(4) atom. The C(27)-O(3) bond length is 1.30 Å. The C(27)-O(4) bond length is 1.31 Å. In the twenty-ninth C site, C(28) is bonded in a bent 120 degrees geometry to one C(32), one O(5), and one O(6) atom. The C(28)-C(32) bond length is 1.45 Å. The C(28)-O(5) bond length is 1.28 Å. The C(28)-O(6) bond length is 1.28 Å. In the thirtieth C site, C(29) is bonded in a bent 120 degrees geometry to one C(34), one O(7), and one O(8) atom. The C(29)-C(34) bond length is 1.47 Å. The C(29)-O(7) bond length is 1.27 Å. The C(29)-O(8) bond length is 1.29 Å. In the thirty-first C site, C(30) is bonded in a trigonal planar geometry to one C(31), one C(35), and one C(39) atom. The C(30)-C(31) bond length is 1.39 Å. The C(30)-C(35) bond length is 1.39 Å. The C(30)-C(39) bond length is 1.44 Å. In the thirty-second C site, C(31) is bonded in a distorted single-bond geometry to one C(30), one C(32), and one H(4) atom. The C(31)-C(32) bond length is 1.39 Å. The C(31)-H(4) bond length is 0.95 Å. In the thirty-third C site, C(32) is bonded in a trigonal planar geometry to one C(28), one C(31), and one C(33) atom. The C(32)-C(33) bond length is 1.39 Å. In the thirty-fourth C site, C(33) is bonded in a distorted single-bond geometry to one C(32), one C(34), and one H(5) atom. The C(33)-C(34) bond length is 1.39 Å. The C(33)-H(5) bond length is 0.95 Å. In the thirty-fifth C site, C(34) is bonded in a trigonal planar geometry to one C(29), one C(33), and one C(35) atom. The C(34)-C(35) bond length is 1.39 Å. In the thirty-sixth C site, C(35) is bonded in a distorted single-bond geometry to one C(30), one C(34), and one H(6) atom. The C(35)-H(6) bond length is 0.95 Å. In the thirty-seventh C site, C(36) is bonded in a distorted linear geometry to one C(10), one C(37), and one C(9) atom. The C(36)-C(37) bond length is 1.37 Å. In the thirty-eighth C site, C(37) is bonded in a linear geometry to one C(20) and one C(36) atom. In the thirty-ninth C site, C(38) is bonded in a 3-coordinate geometry to one C(14), one C(19), and one C(39) atom. The C(38)-C(39) bond length is 1.37 Å. In the fortieth C site, C(39) is bonded in a linear geometry to one C(30) and one C(38) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(21) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(23) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(25) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(31) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(33) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(35) atom. There are ten inequivalent O sites. In the first O site, O(5) is bonded in a distorted single-bond geometry to one Cu(1) and one C(28) atom. In the second O site, O(6) is bonded in a distorted single-bond geometry to one Cu(1) and one C(28) atom. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(29) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to one Cu(2) and one C(29) atom. In the fifth O site, O(9) is bonded in a single-bond geometry to one C(2) atom. In the sixth O site, O(10) is bonded in a single-bond geometry to one C(12) atom. In the seventh O site, O(1) is bonded in a single-bond geometry to one Cu(2) and one C(26) atom. In the eighth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(26) atom. In the ninth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(27) atom. In the tenth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(1) and one C(27) atom. Linkers: 3 [O]C(=O)c1cc(C#C[C@]23[C]=[C]c4c5c([O])[c][c]c4[C@]24[C@@]2(C#Cc6cc(C([O])=O)cc(C([O])=O)c6)[C]=[C]c6c(c([O])[c][c]c6[C@]324)-c2c([O])[c][c]c3c2[C]=[C][C@@]2(C#Cc4cc(C([O])=O)cc(C([O])=O)c4)[C@@]34[C@@]3(C#Cc6cc(C([O])=O)cc(C([O])=O)c6)[C]=[C]c6c-5c([O])[c][c]c6[C@@]324)cc(C([O])=O)c1 ,1 [C][C]([O])[C@@]12[C@]34[C]5[C][C@]6([C]=C=C7C=C(C([O])=O)[CH]C(C([O])=O)=C7)[C][C@@]7([C]=C=C8C=C(C([O])=O)[CH]C(C([O])=O)=C8)[C][C]8[C]7[C@@]37[C@@]8([C@]14[C]56)[C@@]7([C]([C])[O])[C@@]13C([O])=[C][C@@]4(C#Cc5cc(C([O])=O)cc(C([O])=O)c5)[C]5[C][C]6[C][C]7[C]6[C@@]68[C@@]2([C]([C])[O])[C@@]76[C@]12[C]5[C]4[C@@]823.[C][C]c1cc(C([O])=O)cc(C([O])=O)c1 ,1 [C][C]([O])[C@]12[C@]3([C]([C])[O])[C@]45[C]6[C][C@]7([C]=C=C8C=C(C([O])=O)[CH]C(C([O])=O)=C8)[C][C@@]8([C]=C=C9C=C(C([O])=O)[CH]C(C([O])=O)=C9)[C][C]9[C]8[C@]48[C@]([C]([C])[O])([C@]4([C]([C])[O])[C@]%10%11[C]%12[C][C@]%13([C]=C=C%14C=C(C([O])=O)[CH]C(C([O])=O)=C%14)[C][C@@]%14([C]=C=C%15C=C(C([O])=O)[CH]C(C([O])=O)=C%15)[C][C]%15[C]%14[C@]1%10[C@]%152[C@]4%11[C]%12%13)[C@@]98[C@]35[C]67. Metal clusters: 8 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. RCSR code: scu. The MOF has largest included sphere 11.82 A, density 0.67 g/cm3, surface area 3637.76 m2/g, accessible volume 1.14 cm3/g