Cu4C107H12O20 crystallizes in the tetragonal P4 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(2), one O(3), one O(6), and one O(7) atom. The Cu(1)-O(2) bond length is 1.97 Å. The Cu(1)-O(3) bond length is 1.99 Å. The Cu(1)-O(6) bond length is 1.96 Å. The Cu(1)-O(7) bond length is 1.92 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 1.96 Å. The Cu(2)-O(4) bond length is 1.97 Å. The Cu(2)-O(5) bond length is 1.97 Å. The Cu(2)-O(8) bond length is 1.98 Å. There are fifty-four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to one C(2), one C(30), one C(36), 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 1.91 Å. The C(1)-C(36) bond length is 1.49 Å. The C(1)-C(5) bond length is 1.57 Å. There is one shorter (1.39 Å) and one longer (1.52 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 1.81 Å. The C(2)-C(5) bond length is 1.79 Å. In the third 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 fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one C(37), and one C(5) atom. The C(4)-C(37) 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 1.44 Å. The C(5)-C(6) bond length is 1.39 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5), one C(6), and two equivalent C(1) atoms. The C(6)-C(6) bond length is 1.07 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(21), one O(1), and one O(6) atom. The C(7)-C(21) bond length is 1.58 Å. The C(7)-O(1) bond length is 1.27 Å. The C(7)-O(6) bond length is 1.19 Å. In the eighth C site, C(8) is bonded in a 5-coordinate geometry to one C(13), one C(32), one C(33), one C(34), and one C(9) atom. The C(8)-C(13) bond length is 1.39 Å. The C(8)-C(32) bond length is 1.46 Å. The C(8)-C(33) bond length is 1.25 Å. The C(8)-C(34) bond length is 1.29 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(10) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-O(10) bond length is 1.42 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(37) atom. The C(11)-C(12) bond length is 1.39 Å. The C(11)-C(37) bond length is 1.53 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(31) atoms. The C(12)-C(13) bond length is 1.39 Å. There is one shorter (1.38 Å) and one longer (1.73 Å) C(12)-C(31) bond length. In the thirteenth C site, C(13) is bonded in a 1-coordinate geometry to one C(12), one C(33), one C(34), one C(54), and one C(8) atom. The C(13)-C(33) bond length is 0.94 Å. The C(13)-C(34) bond length is 1.37 Å. The C(13)-C(54) bond length is 1.48 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(35) 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(35) bond length is 1.47 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 0.93 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 1.48 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 0.93 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 1.48 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 0.93 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 0.93 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 0.93 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 1.47 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 0.93 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 1.56 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 1.33 Å. The C(26)-O(8) bond length is 1.23 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 1.25 Å. The C(27)-O(5) bond length is 1.28 Å. In the twenty-eighth C site, C(28) is bonded in a distorted bent 120 degrees geometry to one C(25), one O(4), and one O(7) atom. The C(28)-O(4) bond length is 1.19 Å. The C(28)-O(7) bond length is 1.28 Å. In the twenty-ninth C site, C(29) is bonded in a linear geometry to one C(23) and one C(32) atom. The C(29)-C(32) bond length is 1.20 Å. In the thirtieth C site, C(30) is bonded in a 5-coordinate geometry to one C(1), one C(2), one C(36), one C(38), and one C(5) atom. The C(30)-C(36) bond length is 2.01 Å. The C(30)-C(38) bond length is 1.38 Å. In the thirty-first C site, C(31) is bonded in a 3-coordinate geometry to one C(34) and two equivalent C(12) atoms. The C(31)-C(34) bond length is 1.43 Å. In the thirty-second C site, C(32) is bonded in a 3-coordinate geometry to one C(29), one C(33), and one C(8) atom. The C(32)-C(33) bond length is 1.87 Å. In the thirty-third C site, C(33) is bonded in a 2-coordinate geometry to one C(13), one C(32), one C(34), one C(54), and one C(8) atom. The C(33)-C(34) bond length is 1.41 Å. The C(33)-C(54) bond length is 1.35 Å. In the thirty-fourth C site, C(34) is bonded in a distorted rectangular see-saw-like geometry to one C(13), one C(31), one C(33), and one C(8) atom. In the thirty-fifth C site, C(35) is bonded in a linear geometry to one C(14) and one C(36) atom. The C(35)-C(36) bond length is 1.23 Å. In the thirty-sixth C site, C(36) is bonded in a 3-coordinate geometry to one C(1), one C(30), and one C(35) atom. In the thirty-seventh C site, C(37) is bonded in a trigonal planar geometry to one C(11), one C(39), and one C(4) atom. The C(37)-C(39) bond length is 1.40 Å. In the thirty-eighth C site, C(38) is bonded in a bent 120 degrees geometry to one C(30) and one C(39) atom. The C(38)-C(39) bond length is 1.44 Å. In the thirty-ninth C site, C(39) is bonded in a distorted single-bond geometry to one C(37), one C(38), and one O(9) atom. The C(39)-O(9) bond length is 1.36 Å. In the fortieth C site, C(40) is bonded in a trigonal planar geometry to one C(41), one C(45), and one C(46) atom. The C(40)-C(41) bond length is 1.40 Å. The C(40)-C(45) bond length is 1.39 Å. The C(40)-C(46) bond length is 1.52 Å. In the forty-first C site, C(41) is bonded in a bent 120 degrees geometry to one C(40) and one C(42) atom. The C(41)-C(42) bond length is 1.38 Å. In the forty-second C site, C(42) is bonded in a bent 120 degrees geometry to one C(41) and one C(43) atom. The C(42)-C(43) bond length is 1.39 Å. In the forty-third C site, C(43) is bonded in a bent 120 degrees geometry to one C(42) and one C(44) atom. The C(43)-C(44) bond length is 1.38 Å. In the forty-fourth C site, C(44) is bonded in a bent 120 degrees geometry to one C(43) and one C(45) atom. The C(44)-C(45) bond length is 1.40 Å. In the forty-fifth C site, C(45) is bonded in a bent 120 degrees geometry to one C(40) and one C(44) atom. In the forty-sixth C site, C(46) is bonded in a distorted single-bond geometry to one C(40) and one O(9) atom. The C(46)-O(9) bond length is 1.47 Å. In the forty-seventh C site, C(47) is bonded in a trigonal planar geometry to one C(48), one C(52), and one C(53) atom. The C(47)-C(48) bond length is 1.39 Å. The C(47)-C(52) bond length is 1.39 Å. The C(47)-C(53) bond length is 1.60 Å. In the forty-eighth C site, C(48) is bonded in a bent 120 degrees geometry to one C(47) and one C(49) atom. The C(48)-C(49) bond length is 1.39 Å. In the forty-ninth C site, C(49) is bonded in a bent 120 degrees geometry to one C(48) and one C(50) atom. The C(49)-C(50) bond length is 1.39 Å. In the fiftieth C site, C(50) is bonded in a bent 120 degrees geometry to one C(49) and one C(51) atom. The C(50)-C(51) bond length is 1.38 Å. In the fifty-first C site, C(51) is bonded in a bent 120 degrees geometry to one C(50) and one C(52) atom. The C(51)-C(52) bond length is 1.40 Å. In the fifty-second C site, C(52) is bonded in a bent 120 degrees geometry to one C(47) and one C(51) atom. In the fifty-third C site, C(53) is bonded in a single-bond geometry to one C(47) and one O(10) atom. The C(53)-O(10) bond length is 1.47 Å. In the fifty-fourth C site, C(54) is bonded in a distorted rectangular see-saw-like geometry to two equivalent C(13) and two equivalent C(33) 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 single-bond geometry to one Cu(2) and one C(7) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(1) and one C(27) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(1) and one C(26) atom. In the fourth O site, O(4) is bonded in a distorted single-bond 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 bent 120 degrees 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 water-like geometry to one C(39) and one C(46) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one C(10) and one C(53) atom. Linkers: 1 [C]#Cc1cc(C([O])=O)cc(C([O])=O)c1.[C]#Cc1cc(C([O])=O)cc(C([O])=O)c1.[O]C(=O)c1cc(C#C[C]2c3c4c(C#Cc5cc(C([O])=O)cc(C([O])=O)c5)c5c6[c]c(O[C]c7[c][c][c][c][c]7)c7C8=C(O[C]c9[c][c][c][c][c]9)[C][C]9[C][C]%10[C]9[C][C]9[C]%11[C][C]9[C@]9([C][C@]%108[C]9)[C]([C]8C(O[C]c9[c][c][c][c][c]9)=[C][C]9[C@@]2([C]c7c36)[C@@]94C8=[C]5)C(O[C]c2[c][c][c][c][c]2)=[C]%11)cc(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.[O]C(=O)c1cc(C#C[C]2c3c4c(C#Cc5cc(C([O])=O)cc(C([O])=O)c5)c5c6[c]c(O[C]c7[c][c][c][c][c]7)c7[C]8C(O[C]c9[c][c][c][c][c]9)=[C][C]9[C][C]%10[C]9[C][C]9[C]%11[C]C(O[C]c%12[c][c][c][c][c]%12)=C([C]%12C(O[C]c%13[c][c][c][c][c]%13)=[C][C]%13[C@@]2([C]c7c36)[C@@]%134C%12=[C]5)[C@]2([C][C@@]%108[C]2)[C]9[C]%11)cc(C([O])=O)c1. 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 0.78 g/cm3, surface area 3725.19 m2/g, accessible volume 0.80 cm3/g