Cd3C59H31O16C9H5 crystallizes in the orthorhombic P222_1 space group. The structure consists of two C9H5 clusters inside a Cd3C59H31O16 framework. In each C9H5 cluster, there are nine inequivalent C sites. In the first C site, C(9) is bonded in a trigonal planar geometry to one C(27), one C(38), and one C(9) atom. The C(9)-C(27) bond length is 1.50 Å. The C(9)-C(38) bond length is 1.40 Å. The C(9)-C(9) bond length is 1.41 Å. In the second C site, C(11) is bonded in a distorted single-bond geometry to one C(52) and one H(10,23) atom. The C(11)-C(52) bond length is 1.37 Å. The C(11)-H(10,23) bond length is 0.93 Å. In the third C site, C(36) is bonded in a distorted single-bond geometry to one C(52) and one H(10,23) atom. The C(36)-C(52) bond length is 1.37 Å. The C(36)-H(10,23) bond length is 0.93 Å. In the fourth C site, C(14) is bonded in a trigonal planar geometry to one C(14), one C(38), and one C(52) atom. The C(14)-C(14) bond length is 1.39 Å. The C(14)-C(38) bond length is 1.38 Å. The C(14)-C(52) bond length is 1.49 Å. In the fifth C site, C(52) is bonded in a trigonal planar geometry to one C(11), one C(14), and one C(36) atom. In the sixth C site, C(38) is bonded in a single-bond geometry to one C(14), one C(9), and one H(18) atom. The C(38)-H(18) bond length is 0.93 Å. In the seventh C site, C(66) is bonded in a distorted single-bond geometry to one C(27) and one H(31) atom. The C(66)-C(27) bond length is 1.41 Å. The C(66)-H(31) bond length is 0.93 Å. In the eighth C site, C(24) is bonded in a distorted single-bond geometry to one C(27) and one H(9) atom. The C(24)-C(27) bond length is 1.36 Å. The C(24)-H(9) bond length is 0.93 Å. In the ninth C site, C(27) is bonded in a trigonal planar geometry to one C(24), one C(66), and one C(9) atom. There are four inequivalent H sites. In the first H site, H(18) is bonded in a single-bond geometry to one C(38) atom. In the second H site, H(31) is bonded in a single-bond geometry to one C(66) atom. In the third H site, H(9) is bonded in a single-bond geometry to one C(24) atom. In the fourth H site, H(10,23) is bonded in a single-bond geometry to one C(11) atom. In the Cd3C59H31O16 framework, there are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one O(16), one O(2), one O(3), one O(4), one O(5), and one O(9) atom. The Cd(1)-O(16) bond length is 2.21 Å. The Cd(1)-O(2) bond length is 2.55 Å. The Cd(1)-O(3) bond length is 2.41 Å. The Cd(1)-O(4) bond length is 2.24 Å. The Cd(1)-O(5) bond length is 2.26 Å. The Cd(1)-O(9) bond length is 2.30 Å. In the second Cd site, Cd(2) is bonded in a rectangular see-saw-like geometry to one O(13), one O(14), one O(15), and one O(5) atom. The Cd(2)-O(13) bond length is 2.33 Å. The Cd(2)-O(14) bond length is 2.33 Å. The Cd(2)-O(15) bond length is 2.24 Å. The Cd(2)-O(5) bond length is 2.38 Å. In the third Cd site, Cd(3) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(13), one O(6), and one O(7) atom. The Cd(3)-O(1) bond length is 2.30 Å. The Cd(3)-O(10) bond length is 2.31 Å. The Cd(3)-O(11) bond length is 2.23 Å. The Cd(3)-O(12) bond length is 2.46 Å. The Cd(3)-O(13) bond length is 2.67 Å. The Cd(3)-O(6) bond length is 2.48 Å. The Cd(3)-O(7) bond length is 2.33 Å. There are fifty-nine inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(7) and one H(29) atom. The C(1)-C(7) bond length is 1.38 Å. The C(1)-H(29) bond length is 0.93 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(53), one C(62), and one H(32) atom. The C(2)-C(53) bond length is 1.39 Å. The C(2)-C(62) bond length is 1.38 Å. The C(2)-H(32) bond length is 0.93 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one C(59), one O(1), and one O(13) atom. The C(3)-C(59) bond length is 1.48 Å. The C(3)-O(1) bond length is 1.26 Å. The C(3)-O(13) bond length is 1.27 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(33), one C(35), and one C(67) atom. The C(4)-C(33) bond length is 1.39 Å. The C(4)-C(35) bond length is 1.49 Å. The C(4)-C(67) bond length is 1.40 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(61), one O(14), and one O(16) atom. The C(5)-C(61) bond length is 1.51 Å. The C(5)-O(14) bond length is 1.23 Å. The C(5)-O(16) bond length is 1.26 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(26), one O(10), and one O(6) atom. The C(6)-C(26) bond length is 1.52 Å. The C(6)-O(10) bond length is 1.27 Å. The C(6)-O(6) bond length is 1.21 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(1), one C(29), and one C(56) atom. The C(7)-C(29) bond length is 1.49 Å. The C(7)-C(56) bond length is 1.40 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(18), one C(39), and one C(8) atom. The C(8)-C(18) bond length is 1.39 Å. The C(8)-C(39) bond length is 1.50 Å. The C(8)-C(8) bond length is 1.41 Å. In the ninth C site, C(10) is bonded in a trigonal planar geometry to one C(17), one C(23), and one C(40) atom. The C(10)-C(17) bond length is 1.41 Å. The C(10)-C(23) bond length is 1.37 Å. The C(10)-C(40) bond length is 1.49 Å. In the tenth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(15), and one O(4) atom. The C(12)-C(13) bond length is 1.52 Å. The C(12)-O(15) bond length is 1.24 Å. The C(12)-O(4) bond length is 1.27 Å. In the eleventh C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(25), and one C(55) atom. The C(13)-C(25) bond length is 1.39 Å. The C(13)-C(55) bond length is 1.36 Å. In the twelfth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(47), one C(67), and one H(26) atom. The C(15)-C(47) bond length is 1.39 Å. The C(15)-C(67) bond length is 1.40 Å. The C(15)-H(26) bond length is 0.93 Å. In the thirteenth C site, C(16) is bonded in a trigonal planar geometry to one C(37), one C(42), and one C(58) atom. The C(16)-C(37) bond length is 1.49 Å. The C(16)-C(42) bond length is 1.37 Å. The C(16)-C(58) bond length is 1.40 Å. In the fourteenth C site, C(17) is bonded in a distorted single-bond geometry to one C(10) and one H(4) atom. The C(17)-H(4) bond length is 0.93 Å. In the fifteenth C site, C(18) is bonded in a single-bond geometry to one C(31), one C(8), and one H(8) atom. The C(18)-C(31) bond length is 1.38 Å. The C(18)-H(8) bond length is 0.93 Å. In the sixteenth C site, C(19) is bonded in a distorted single-bond geometry to one C(35), one C(57), and one H(35) atom. The C(19)-C(35) bond length is 1.40 Å. The C(19)-C(57) bond length is 1.40 Å. The C(19)-H(35) bond length is 0.93 Å. In the seventeenth C site, C(20) is bonded in a distorted single-bond geometry to one C(49) and one H(36) atom. The C(20)-C(49) bond length is 1.39 Å. The C(20)-H(36) bond length is 0.93 Å. In the eighteenth C site, C(21) is bonded in a distorted single-bond geometry to one C(26) and one H(33) atom. The C(21)-C(26) bond length is 1.38 Å. The C(21)-H(33) bond length is 0.93 Å. In the nineteenth C site, C(22) is bonded in a distorted single-bond geometry to one C(59) and one H(13) atom. The C(22)-C(59) bond length is 1.41 Å. The C(22)-H(13) bond length is 0.93 Å. In the twentieth C site, C(23) is bonded in a distorted single-bond geometry to one C(10), one C(56), and one H(22) atom. The C(23)-C(56) bond length is 1.38 Å. The C(23)-H(22) bond length is 0.93 Å. In the twenty-first C site, C(25) is bonded in a distorted single-bond geometry to one C(13) and one H(34) atom. The C(25)-H(34) bond length is 0.93 Å. In the twenty-second C site, C(26) is bonded in a trigonal planar geometry to one C(21), one C(6), and one C(63) atom. The C(26)-C(63) bond length is 1.38 Å. In the twenty-third C site, C(28) is bonded in a distorted trigonal planar geometry to one C(33), one C(47), and one H(24) atom. The C(28)-C(33) bond length is 1.40 Å. The C(28)-C(47) bond length is 1.38 Å. The C(28)-H(24) bond length is 0.93 Å. In the twenty-fourth C site, C(29) is bonded in a bent 120 degrees geometry to one C(7), one O(12), and one O(7) atom. The C(29)-O(12) bond length is 1.27 Å. The C(29)-O(7) bond length is 1.21 Å. In the twenty-fifth C site, C(30) is bonded in a distorted single-bond geometry to one C(49), one C(55), and one H(5) atom. The C(30)-C(49) bond length is 1.40 Å. The C(30)-C(55) bond length is 1.37 Å. The C(30)-H(5) bond length is 0.93 Å. In the twenty-sixth C site, C(31) is bonded in a trigonal planar geometry to one C(18), one C(31), and one C(49) atom. The C(31)-C(31) bond length is 1.42 Å. The C(31)-C(49) bond length is 1.49 Å. In the twenty-seventh C site, C(32) is bonded in a distorted trigonal planar geometry to one C(41), one C(60), and one H(16) atom. The C(32)-C(41) bond length is 1.38 Å. The C(32)-C(60) bond length is 1.39 Å. The C(32)-H(16) bond length is 0.93 Å. In the twenty-eighth C site, C(33) is bonded in a distorted single-bond geometry to one C(28), one C(4), and one H(3) atom. The C(33)-H(3) bond length is 0.93 Å. In the twenty-ninth C site, C(34) is bonded in a distorted single-bond geometry to one C(39) and one H(2) atom. The C(34)-C(39) bond length is 1.40 Å. The C(34)-H(2) bond length is 0.93 Å. In the thirtieth C site, C(35) is bonded in a trigonal planar geometry to one C(19), one C(35), and one C(4) atom. The C(35)-C(35) bond length is 1.39 Å. In the thirty-first C site, C(37) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(11), and one O(8) atom. The C(37)-O(11) bond length is 1.27 Å. The C(37)-O(8) bond length is 1.24 Å. In the thirty-second C site, C(39) is bonded in a trigonal planar geometry to one C(34), one C(48), and one C(8) atom. The C(39)-C(48) bond length is 1.40 Å. In the thirty-third C site, C(40) is bonded in a trigonal planar geometry to one C(10), one C(40), and one C(64) atom. The C(40)-C(40) bond length is 1.41 Å. The C(40)-C(64) bond length is 1.38 Å. In the thirty-fourth C site, C(41) is bonded in a distorted single-bond geometry to one C(32), one C(62), and one H(15) atom. The C(41)-C(62) bond length is 1.41 Å. The C(41)-H(15) bond length is 0.93 Å. In the thirty-fifth C site, C(42) is bonded in a distorted single-bond geometry to one C(16) and one H(27) atom. The C(42)-H(27) bond length is 0.93 Å. In the thirty-sixth C site, C(43) is bonded in a distorted single-bond geometry to one C(50) and one H(20) atom. The C(43)-C(50) bond length is 1.40 Å. The C(43)-H(20) bond length is 0.93 Å. In the thirty-seventh C site, C(44) is bonded in a bent 120 degrees geometry to one C(60), one O(3), and one O(9) atom. The C(44)-C(60) bond length is 1.51 Å. The C(44)-O(3) bond length is 1.24 Å. The C(44)-O(9) bond length is 1.28 Å. In the thirty-eighth C site, C(45) is bonded in a distorted trigonal planar geometry to one C(59), one C(68), and one H(28) atom. The C(45)-C(59) bond length is 1.39 Å. The C(45)-C(68) bond length is 1.37 Å. The C(45)-H(28) bond length is 0.93 Å. In the thirty-ninth C site, C(46) is bonded in a distorted single-bond geometry to one C(61) and one H(11) atom. The C(46)-C(61) bond length is 1.37 Å. The C(46)-H(11) bond length is 0.93 Å. In the fortieth C site, C(47) is bonded in a trigonal planar geometry to one C(15), one C(28), and one C(65) atom. The C(47)-C(65) bond length is 1.49 Å. In the forty-first C site, C(48) is bonded in a distorted single-bond geometry to one C(39) and one H(7) atom. The C(48)-H(7) bond length is 0.93 Å. In the forty-second C site, C(49) is bonded in a trigonal planar geometry to one C(20), one C(30), and one C(31) atom. In the forty-third C site, C(50) is bonded in a trigonal planar geometry to one C(43), one C(54), and one C(68) atom. The C(50)-C(54) bond length is 1.48 Å. The C(50)-C(68) bond length is 1.38 Å. In the forty-fourth C site, C(51) is bonded in a distorted single-bond geometry to one C(61) and one H(12) atom. The C(51)-C(61) bond length is 1.38 Å. The C(51)-H(12) bond length is 0.93 Å. In the forty-fifth C site, C(53) is bonded in a distorted trigonal planar geometry to one C(2), one C(60), and one H(6) atom. The C(53)-C(60) bond length is 1.39 Å. The C(53)-H(6) bond length is 0.93 Å. In the forty-sixth C site, C(54) is bonded in a trigonal planar geometry to one C(50), one C(54), and one C(64) atom. The C(54)-C(54) bond length is 1.38 Å. The C(54)-C(64) bond length is 1.41 Å. In the forty-seventh C site, C(55) is bonded in a distorted trigonal planar geometry to one C(13), one C(30), and one H(30) atom. The C(55)-H(30) bond length is 0.93 Å. In the forty-eighth C site, C(56) is bonded in a distorted trigonal planar geometry to one C(23), one C(7), and one H(21) atom. The C(56)-H(21) bond length is 0.93 Å. In the forty-ninth C site, C(57) is bonded in a trigonal planar geometry to one C(19), one C(57), and one C(62) atom. The C(57)-C(57) bond length is 1.41 Å. The C(57)-C(62) bond length is 1.48 Å. In the fiftieth C site, C(58) is bonded in a distorted single-bond geometry to one C(16) and one H(19) atom. The C(58)-H(19) bond length is 0.93 Å. In the fifty-first C site, C(59) is bonded in a trigonal planar geometry to one C(22), one C(3), and one C(45) atom. In the fifty-second C site, C(60) is bonded in a trigonal planar geometry to one C(32), one C(44), and one C(53) atom. In the fifty-third C site, C(61) is bonded in a trigonal planar geometry to one C(46), one C(5), and one C(51) atom. In the fifty-fourth C site, C(62) is bonded in a trigonal planar geometry to one C(2), one C(41), and one C(57) atom. In the fifty-fifth C site, C(63) is bonded in a distorted single-bond geometry to one C(26) and one H(25) atom. The C(63)-H(25) bond length is 0.93 Å. In the fifty-sixth C site, C(64) is bonded in a distorted single-bond geometry to one C(40), one C(54), and one H(17) atom. The C(64)-H(17) bond length is 0.93 Å. In the fifty-seventh C site, C(65) is bonded in a bent 120 degrees geometry to one C(47), one O(2), and one O(5) atom. The C(65)-O(2) bond length is 1.24 Å. The C(65)-O(5) bond length is 1.29 Å. In the fifty-eighth C site, C(67) is bonded in a distorted single-bond geometry to one C(15), one C(4), and one H(1) atom. The C(67)-H(1) bond length is 0.93 Å. In the fifty-ninth C site, C(68) is bonded in a distorted single-bond geometry to one C(45), one C(50), and one H(14) atom. The C(68)-H(14) bond length is 0.93 Å. There are thirty-one inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(67) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(34) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(33) 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(30) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(53) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(48) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(18) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(46) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(51) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one C(22) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one C(68) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one C(41) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(32) atom. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one C(64) atom. In the sixteenth H site, H(19) is bonded in a single-bond geometry to one C(58) atom. In the seventeenth H site, H(20) is bonded in a single-bond geometry to one C(43) atom. In the eighteenth H site, H(21) is bonded in a single-bond geometry to one C(56) atom. In the nineteenth H site, H(22) is bonded in a single-bond geometry to one C(23) atom. In the twentieth H site, H(24) is bonded in a single-bond geometry to one C(28) atom. In the twenty-first H site, H(25) is bonded in a single-bond geometry to one C(63) atom. In the twenty-second H site, H(26) is bonded in a single-bond geometry to one C(15) atom. In the twenty-third H site, H(27) is bonded in a single-bond geometry to one C(42) atom. In the twenty-fourth H site, H(28) is bonded in a single-bond geometry to one C(45) atom. In the twenty-fifth H site, H(29) is bonded in a single-bond geometry to one C(1) atom. In the twenty-sixth H site, H(30) is bonded in a single-bond geometry to one C(55) atom. In the twenty-seventh H site, H(32) is bonded in a single-bond geometry to one C(2) atom. In the twenty-eighth H site, H(33) is bonded in a single-bond geometry to one C(21) atom. In the twenty-ninth H site, H(34) is bonded in a single-bond geometry to one C(25) atom. In the thirtieth H site, H(35) is bonded in a single-bond geometry to one C(19) atom. In the thirty-first H site, H(36) is bonded in a single-bond geometry to one C(20) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Cd(3) and one C(3) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Cd(1) and one C(65) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Cd(1) and one C(44) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Cd(1) and one C(12) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Cd(2), and one C(65) atom. In the sixth O site, O(6) is bonded in a distorted L-shaped geometry to one Cd(3) and one C(6) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Cd(3) and one C(29) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one C(37) atom. In the ninth O site, O(9) is bonded in an L-shaped geometry to one Cd(1) and one C(44) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one Cd(3) and one C(6) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cd(3) and one C(37) atom. In the twelfth O site, O(12) is bonded in a distorted L-shaped geometry to one Cd(3) and one C(29) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Cd(2), one Cd(3), and one C(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Cd(2) and one C(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Cd(2) and one C(12) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Cd(1) and one C(5) atom. Linkers: 9 [O]C(=O)c1ccc(-c2cc(-c3ccc(C([O])=O)cc3)c(-c3ccc(C([O])=O)cc3)cc2-c2ccc(C([O])=O)cc2)cc1. Metal clusters: 4 O=[C]O[Cd]12(O[C]O[Cd]3O[C]O[Cd]45(O[C]O3)(O[C]O4)O[C]O5)(O[C]O1)O[C]O2. The MOF has largest included sphere 8.09 A, density 0.99 g/cm3, surface area 4148.63 m2/g, accessible volume 0.57 cm3/g