Cu4C87H12O20 crystallizes in the tetragonal P4 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(6), and one O(7) atom. The Cu(1)-O(2) bond length is 1.92 Å. The Cu(1)-O(3) bond length is 2.01 Å. The Cu(1)-O(6) bond length is 1.80 Å. The Cu(1)-O(7) bond length is 1.79 Å. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(8) atom. The Cu(2)-O(1) bond length is 1.88 Å. The Cu(2)-O(4) bond length is 2.09 Å. The Cu(2)-O(5) bond length is 2.04 Å. The Cu(2)-O(8) bond length is 2.09 Å. There are forty-four inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to one C(2), one C(30), one C(38), one C(5), and two equivalent C(6) atoms. The C(1)-C(2) bond length is 1.39 Å. The C(1)-C(30) bond length is 2.01 Å. The C(1)-C(38) bond length is 1.43 Å. The C(1)-C(5) bond length is 1.72 Å. There is one shorter (1.39 Å) and one longer (1.44 Å) C(1)-C(6) bond length. In the second C site, C(2) is bonded in a 4-coordinate geometry to one C(1), one C(3), one C(30), and one C(5) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-C(30) bond length is 1.79 Å. The C(2)-C(5) bond length is 1.91 Å. In the third C site, C(3) is bonded in a 3-coordinate geometry to one C(2), one C(37), and one C(4) atom. The C(3)-C(37) bond length is 1.81 Å. The C(3)-C(4) bond length is 1.39 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(39), and one C(5) atom. The C(4)-C(39) bond length is 1.40 Å. The C(4)-C(5) bond length is 1.39 Å. In the fifth C site, C(5) is bonded in a 5-coordinate geometry to one C(1), one C(2), one C(30), one C(4), and one C(6) atom. The C(5)-C(30) bond length is 1.40 Å. The C(5)-C(6) bond length is 1.39 Å. In the sixth C site, C(6) is bonded in a 4-coordinate geometry to one C(5), one C(6), and two equivalent C(1) atoms. The C(6)-C(6) bond length is 1.19 Å. In the seventh C site, C(7) is bonded in a bent 120 degrees geometry to one C(21), one O(1), and one O(6) atom. The C(7)-C(21) bond length is 1.70 Å. The C(7)-O(1) bond length is 1.23 Å. The C(7)-O(6) bond length is 1.15 Å. In the eighth C site, C(8) is bonded in a 4-coordinate geometry to one C(33), one C(34), one C(35), and one C(9) atom. The C(8)-C(33) bond length is 1.52 Å. The C(8)-C(34) bond length is 1.19 Å. The C(8)-C(35) bond length is 1.32 Å. The C(8)-C(9) bond length is 1.39 Å. In the ninth C site, C(9) is bonded in a bent 120 degrees geometry to one C(10) and one C(8) atom. The C(9)-C(10) bond length is 1.39 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(11), one C(9), and one O(9) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-O(9) bond length is 1.41 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(39) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-C(39) bond length is 1.51 Å. In the twelfth C site, C(12) is bonded in a 4-coordinate geometry to one C(11), one C(13), and two equivalent C(32) atoms. The C(12)-C(13) bond length is 1.39 Å. There is one shorter (1.37 Å) and one longer (1.66 Å) C(12)-C(32) bond length. In the thirteenth C site, C(13) is bonded in a 2-coordinate geometry to one C(12), one C(34), one C(35), and one C(44) atom. The C(13)-C(34) bond length is 0.83 Å. The C(13)-C(35) bond length is 1.26 Å. The C(13)-C(44) bond length is 1.44 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(15), one C(19), and one C(36) atom. The C(14)-C(15) bond length is 1.39 Å. The C(14)-C(19) bond length is 1.39 Å. The C(14)-C(36) bond length is 1.49 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(14), one C(16), and one H(1) atom. The C(15)-C(16) bond length is 1.39 Å. The C(15)-H(1) bond length is 0.95 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(26) atom. The C(16)-C(17) bond length is 1.39 Å. The C(16)-C(26) bond length is 1.45 Å. In the seventeenth C site, C(17) is bonded in a distorted single-bond geometry to one C(16), one C(18), and one H(2) atom. The C(17)-C(18) bond length is 1.39 Å. The C(17)-H(2) bond length is 0.95 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one C(17), one C(19), and one C(27) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-C(27) bond length is 1.39 Å. In the nineteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(14), one C(18), and one H(3) atom. The C(19)-H(3) bond length is 0.95 Å. In the twentieth C site, C(20) is bonded in a distorted single-bond geometry to one C(21), one C(25), and one H(4) 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)-H(4) bond length is 0.95 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(7) atom. The C(21)-C(22) bond length is 1.39 Å. In the twenty-second C site, C(22) is bonded in a distorted single-bond geometry to one C(21), one C(23), and one H(5) atom. The C(22)-C(23) bond length is 1.39 Å. The C(22)-H(5) bond length is 0.95 Å. In the twenty-third C site, C(23) is bonded in a trigonal planar geometry to one C(22), one C(24), and one C(29) atom. The C(23)-C(24) bond length is 1.39 Å. The C(23)-C(29) bond length is 1.43 Å. In the twenty-fourth C site, C(24) is bonded in a distorted single-bond geometry to one C(23), one C(25), and one H(6) atom. The C(24)-C(25) bond length is 1.39 Å. The C(24)-H(6) bond length is 0.95 Å. In the twenty-fifth C site, C(25) is bonded in a trigonal planar geometry to one C(20), one C(24), and one C(28) atom. The C(25)-C(28) bond length is 1.46 Å. In the twenty-sixth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(3), and one O(8) atom. The C(26)-O(3) bond length is 1.25 Å. The C(26)-O(8) bond length is 1.21 Å. In the twenty-seventh C site, C(27) is bonded in a distorted bent 120 degrees geometry to one C(18), one O(2), and one O(5) atom. The C(27)-O(2) bond length is 1.33 Å. The C(27)-O(5) bond length is 1.42 Å. In the twenty-eighth C site, C(28) is bonded in a bent 120 degrees geometry to one C(25), one O(4), and one O(7) atom. The C(28)-O(4) bond length is 1.32 Å. The C(28)-O(7) bond length is 1.24 Å. In the twenty-ninth C site, C(29) is bonded in a linear geometry to one C(23) and one C(33) atom. The C(29)-C(33) bond length is 1.22 Å. In the thirtieth C site, C(30) is bonded in a 5-coordinate geometry to one C(1), one C(2), one C(38), one C(40), and one C(5) atom. The C(30)-C(38) bond length is 2.11 Å. The C(30)-C(40) bond length is 1.37 Å. In the thirty-first C site, C(31) is bonded in a single-bond geometry to one O(9) atom. The C(31)-O(9) bond length is 1.45 Å. In the thirty-second C site, C(32) is bonded in a 3-coordinate geometry to one C(35) and two equivalent C(12) atoms. The C(32)-C(35) bond length is 1.39 Å. In the thirty-third C site, C(33) is bonded in a 3-coordinate geometry to one C(29), one C(34), and one C(8) atom. The C(33)-C(34) bond length is 1.93 Å. In the thirty-fourth C site, C(34) is bonded in a 2-coordinate geometry to one C(13), one C(33), one C(44), and one C(8) atom. The C(34)-C(44) bond length is 1.36 Å. In the thirty-fifth C site, C(35) is bonded in a 3-coordinate geometry to one C(13), one C(32), and one C(8) atom. In the thirty-sixth C site, C(36) is bonded in a bent 150 degrees geometry to one C(14) and one C(38) atom. The C(36)-C(38) bond length is 1.24 Å. In the thirty-seventh C site, C(37) is bonded in a single-bond geometry to one C(3) atom. In the thirty-eighth C site, C(38) is bonded in a distorted linear geometry to one C(1), one C(30), and one C(36) atom. In the thirty-ninth C site, C(39) is bonded in a trigonal planar geometry to one C(11), one C(4), and one C(41) atom. The C(39)-C(41) bond length is 1.39 Å. In the fortieth C site, C(40) is bonded in a bent 120 degrees geometry to one C(30) and one C(41) atom. The C(40)-C(41) bond length is 1.42 Å. In the forty-first C site, C(41) is bonded in a distorted single-bond geometry to one C(39), one C(40), and one O(10) atom. The C(41)-O(10) bond length is 1.38 Å. In the forty-second C site, C(42) is bonded in a distorted single-bond geometry to one C(43) and one O(10) atom. The C(42)-C(43) bond length is 1.56 Å. The C(42)-O(10) bond length is 1.44 Å. In the forty-third C site, C(43) is bonded in a single-bond geometry to one C(42) atom. In the forty-fourth C site, C(44) is bonded in a 4-coordinate geometry to two equivalent C(13) and two equivalent C(34) atoms. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(15) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(17) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(19) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(20) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(22) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(24) atom. There are ten 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(7) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cu(1) and one C(27) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(26) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(28) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one C(27) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one C(7) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cu(1) and one C(28) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cu(2) and one C(26) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one C(10) and one C(31) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one C(41) and one C(42) atom. Linkers: 1 [C][C]Oc1[c]c2c3c4c1C1=C5[C][C]6[C][C]7[C@]18[C][C@]1([C]8)[C]8[C][C]([C]C9=C1c1c(O[C][C])[c]c%10c%11c1[C]([C][C]O9)[C]2[C@@]1(C#Cc2cc(C([O])=O)cc(C([O])=O)c2)[C@@]32[C@@](C#Cc3cc(C([O])=O)cc(C([O])=O)c3)([C]%10[C]4[C][C]O5)[C@]%1112)[C@]8([C]=C=C1C=C(C([O])=O)[CH]C(C([O])=O)=C1)[C][C@@]67[C]=C=C1C=C(C([O])=O)[CH]C(C([O])=O)=C1 ,1 [C]#Cc1cc(C([O])=O)cc(C([O])=O)c1.[C]#Cc1cc(C([O])=O)cc(C([O])=O)c1.[C][C]Oc1[c]c2c3c4c1C1=C5[C][C]6[C][C]7[C]6[C][C]6[C]8[C]C9=C(c%10c(O[C][C])[c]c%11c%12c%10[C]([C][C]O9)[C]2[C@]2(C#Cc9cc(C([O])=O)cc(C([O])=O)c9)[C@]39[C@](C#Cc3cc(C([O])=O)cc(C([O])=O)c3)([C]%11[C]4[C][C]O5)[C@@]%1229)[C@@]2([C][C@]71[C]2)[C]6[C]8. Metal clusters: 4 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. RCSR code: scu. The MOF has largest included sphere 11.38 A, density 0.70 g/cm3, surface area 3771.45 m2/g, accessible volume 1.03 cm3/g