CuH16(C9O2)2 crystallizes in the monoclinic C2/c space group. The structure consists of a CuH16(C9O2)2 framework. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(5), and one O(7) atom. The Cu(1)-O(1) bond length is 1.97 Å. The Cu(1)-O(3) bond length is 1.96 Å. The Cu(1)-O(5) bond length is 1.96 Å. The Cu(1)-O(7) bond length is 1.95 Å. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(6), and one O(8) atom. The Cu(2)-O(2) bond length is 1.95 Å. The Cu(2)-O(4) bond length is 1.96 Å. The Cu(2)-O(6) bond length is 1.96 Å. The Cu(2)-O(8) bond length is 1.96 Å. In the third Cu site, Cu(3) is bonded in a distorted square co-planar geometry to one O(10), one O(11), one O(12), and one O(9) atom. The Cu(3)-O(10) bond length is 1.95 Å. The Cu(3)-O(11) bond length is 1.94 Å. The Cu(3)-O(12) bond length is 1.96 Å. The Cu(3)-O(9) bond length is 1.95 Å. There are fifty-four inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.48 Å. The C(1)-O(1) bond length is 1.26 Å. The C(1)-O(2) bond length is 1.27 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(7) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-C(7) bond length is 1.37 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(2), one C(4), and one H(1) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-H(1) bond length is 0.95 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(8) atom. The C(4)-C(5) bond length is 1.37 Å. The C(4)-C(8) bond length is 1.52 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(14), one C(4), and one C(6) atom. The C(5)-C(14) bond length is 1.48 Å. The C(5)-C(6) bond length is 1.43 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(5), one C(7), and one C(9) atom. The C(6)-C(7) bond length is 1.41 Å. The C(6)-C(9) bond length is 1.45 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one H(2) atom. The C(7)-H(2) bond length is 0.95 Å. In the eighth C site, C(8) is bonded in a trigonal non-coplanar geometry to one C(4); one H(3); and two equivalent H(4,5) atoms. The C(8)-H(3) bond length is 0.98 Å. Both C(8)-H(4,5) bond lengths are 0.98 Å. In the ninth C site, C(9) is bonded in a trigonal non-coplanar geometry to one C(6), one H(6), one H(7), and one H(8) atom. The C(9)-H(6) bond length is 0.98 Å. The C(9)-H(7) bond length is 0.98 Å. The C(9)-H(8) bond length is 0.98 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(11), one O(11), and one O(12) atom. The C(10)-C(11) bond length is 1.50 Å. The C(10)-O(11) bond length is 1.28 Å. The C(10)-O(12) bond length is 1.26 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(16) atom. The C(11)-C(12) bond length is 1.35 Å. The C(11)-C(16) bond length is 1.37 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(13), and one H(9) atom. The C(12)-C(13) bond length is 1.41 Å. The C(12)-H(9) bond length is 0.95 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(17) atom. The C(13)-C(14) bond length is 1.35 Å. The C(13)-C(17) bond length is 1.47 Å. In the fourteenth C site, C(14) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(5) atom. The C(14)-C(15) bond length is 1.43 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(14), one C(16), and one C(18) atom. The C(15)-C(16) bond length is 1.37 Å. The C(15)-C(18) bond length is 1.49 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(11), one C(15), and one H(10) atom. The C(16)-H(10) bond length is 0.95 Å. In the seventeenth C site, C(17) is bonded in a trigonal non-coplanar geometry to one C(13); one H(11); and two equivalent H(12,13) atoms. The C(17)-H(11) bond length is 0.98 Å. Both C(17)-H(12,13) bond lengths are 0.98 Å. In the eighteenth C site, C(18) is bonded in a trigonal non-coplanar geometry to one C(15); one H(15); and two equivalent H(14,16) atoms. The C(18)-H(15) bond length is 0.98 Å. Both C(18)-H(14,16) bond lengths are 0.98 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(20), one O(3), and one O(4) atom. The C(19)-C(20) bond length is 1.49 Å. The C(19)-O(3) bond length is 1.25 Å. The C(19)-O(4) bond length is 1.28 Å. In the twentieth C site, C(20) is bonded in a trigonal planar geometry to one C(19), one C(21), and one C(25) atom. The C(20)-C(21) bond length is 1.41 Å. The C(20)-C(25) bond length is 1.38 Å. In the twenty-first C site, C(21) is bonded in a distorted single-bond geometry to one C(20), one C(22), and one H(17) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-H(17) bond length is 0.95 Å. In the twenty-second C site, C(22) is bonded in a trigonal planar geometry to one C(21), one C(23), and one C(26) atom. The C(22)-C(23) bond length is 1.38 Å. The C(22)-C(26) bond length is 1.53 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(32) atom. The C(23)-C(24) bond length is 1.43 Å. The C(23)-C(32) bond length is 1.52 Å. In the twenty-fourth C site, C(24) is bonded in a trigonal planar geometry to one C(23), one C(25), and one C(27) atom. The C(24)-C(25) bond length is 1.38 Å. The C(24)-C(27) bond length is 1.49 Å. In the twenty-fifth C site, C(25) is bonded in a distorted single-bond geometry to one C(20), one C(24), and one H(18) atom. The C(25)-H(18) bond length is 0.95 Å. In the twenty-sixth C site, C(26) is bonded in a trigonal non-coplanar geometry to one C(22); one H(19); and two equivalent H(20,21) atoms. The C(26)-H(19) bond length is 0.98 Å. Both C(26)-H(20,21) bond lengths are 0.98 Å. In the twenty-seventh C site, C(27) is bonded in a trigonal non-coplanar geometry to one C(24), one H(22), one H(23), and one H(24) atom. The C(27)-H(22) bond length is 0.98 Å. The C(27)-H(23) bond length is 0.98 Å. The C(27)-H(24) bond length is 0.98 Å. In the twenty-eighth C site, C(28) is bonded in a distorted bent 120 degrees geometry to one C(29), one O(10), and one O(9) atom. The C(28)-C(29) bond length is 1.52 Å. The C(28)-O(10) bond length is 1.24 Å. The C(28)-O(9) bond length is 1.28 Å. In the twenty-ninth C site, C(29) is bonded in a trigonal planar geometry to one C(28), one C(30), and one C(34) atom. The C(29)-C(30) bond length is 1.39 Å. The C(29)-C(34) bond length is 1.37 Å. In the thirtieth C site, C(30) is bonded in a distorted trigonal planar geometry to one C(29), one C(31), and one H(25) atom. The C(30)-C(31) bond length is 1.40 Å. The C(30)-H(25) bond length is 0.95 Å. In the thirty-first C site, C(31) is bonded in a trigonal planar geometry to one C(30), one C(32), and one C(35) atom. The C(31)-C(32) bond length is 1.40 Å. The C(31)-C(35) bond length is 1.53 Å. In the thirty-second C site, C(32) is bonded in a trigonal planar geometry to one C(23), one C(31), and one C(33) atom. The C(32)-C(33) bond length is 1.37 Å. In the thirty-third C site, C(33) is bonded in a trigonal planar geometry to one C(32), one C(34), and one C(36) atom. The C(33)-C(34) bond length is 1.38 Å. The C(33)-C(36) bond length is 1.53 Å. In the thirty-fourth C site, C(34) is bonded in a distorted single-bond geometry to one C(29), one C(33), and one H(26) atom. The C(34)-H(26) bond length is 0.95 Å. In the thirty-fifth C site, C(35) is bonded in a trigonal non-coplanar geometry to one C(31); one H(27); and two equivalent H(28,29) atoms. The C(35)-H(27) bond length is 0.98 Å. Both C(35)-H(28,29) bond lengths are 0.98 Å. In the thirty-sixth C site, C(36) is bonded in a trigonal non-coplanar geometry to one C(33); one H(31,48); and two equivalent H(30,32,47) atoms. The C(36)-H(31,48) bond length is 0.98 Å. Both C(36)-H(30,32,47) bond lengths are 0.98 Å. In the thirty-seventh C site, C(37) is bonded in a bent 120 degrees geometry to one C(38), one O(5), and one O(6) atom. The C(37)-C(38) bond length is 1.49 Å. The C(37)-O(5) bond length is 1.25 Å. The C(37)-O(6) bond length is 1.26 Å. In the thirty-eighth C site, C(38) is bonded in a trigonal planar geometry to one C(37), one C(39), and one C(43) atom. The C(38)-C(39) bond length is 1.39 Å. The C(38)-C(43) bond length is 1.39 Å. In the thirty-ninth C site, C(39) is bonded in a distorted trigonal planar geometry to one C(38), one C(40), and one H(33) atom. The C(39)-C(40) bond length is 1.36 Å. The C(39)-H(33) bond length is 0.95 Å. In the fortieth C site, C(40) is bonded in a trigonal planar geometry to one C(39), one C(41), and one C(44) atom. The C(40)-C(41) bond length is 1.41 Å. The C(40)-C(44) bond length is 1.51 Å. In the forty-first C site, C(41) is bonded in a trigonal planar geometry to one C(40), one C(42), and one C(50) atom. The C(41)-C(42) bond length is 1.36 Å. The C(41)-C(50) bond length is 1.48 Å. In the forty-second C site, C(42) is bonded in a trigonal planar geometry to one C(41), one C(43), and one C(45) atom. The C(42)-C(43) bond length is 1.40 Å. The C(42)-C(45) bond length is 1.53 Å. In the forty-third C site, C(43) is bonded in a distorted single-bond geometry to one C(38), one C(42), and one H(34) atom. The C(43)-H(34) bond length is 0.95 Å. In the forty-fourth C site, C(44) is bonded in a trigonal non-coplanar geometry to one C(40); one H(36); and two equivalent H(35,37) atoms. The C(44)-H(36) bond length is 0.98 Å. Both C(44)-H(35,37) bond lengths are 0.98 Å. In the forty-fifth C site, C(45) is bonded in a trigonal non-coplanar geometry to one C(42); one H(40); and two equivalent H(38,39) atoms. The C(45)-H(40) bond length is 0.98 Å. Both C(45)-H(38,39) bond lengths are 0.98 Å. In the forty-sixth C site, C(46) is bonded in a bent 120 degrees geometry to one C(47), one O(7), and one O(8) atom. The C(46)-C(47) bond length is 1.51 Å. The C(46)-O(7) bond length is 1.27 Å. The C(46)-O(8) bond length is 1.25 Å. In the forty-seventh C site, C(47) is bonded in a trigonal planar geometry to one C(46), one C(48), and one C(52) atom. The C(47)-C(48) bond length is 1.38 Å. The C(47)-C(52) bond length is 1.37 Å. In the forty-eighth C site, C(48) is bonded in a distorted single-bond geometry to one C(47), one C(49), and one H(41) atom. The C(48)-C(49) bond length is 1.42 Å. The C(48)-H(41) bond length is 0.95 Å. In the forty-ninth C site, C(49) is bonded in a trigonal planar geometry to one C(48), one C(50), and one C(53) atom. The C(49)-C(50) bond length is 1.40 Å. The C(49)-C(53) bond length is 1.50 Å. In the fiftieth C site, C(50) is bonded in a trigonal planar geometry to one C(41), one C(49), and one C(51) atom. The C(50)-C(51) bond length is 1.39 Å. In the fifty-first C site, C(51) is bonded in a trigonal planar geometry to one C(50), one C(52), and one C(54) atom. The C(51)-C(52) bond length is 1.39 Å. The C(51)-C(54) bond length is 1.54 Å. In the fifty-second C site, C(52) is bonded in a distorted trigonal planar geometry to one C(47), one C(51), and one H(42) atom. The C(52)-H(42) bond length is 0.95 Å. In the fifty-third C site, C(53) is bonded in a trigonal non-coplanar geometry to one C(49), one H(43), one H(44), and one H(45) atom. The C(53)-H(43) bond length is 0.98 Å. The C(53)-H(44) bond length is 0.98 Å. The C(53)-H(45) bond length is 0.98 Å. In the fifty-fourth C site, C(54) is bonded in a trigonal non-coplanar geometry to one C(51); one H(30,32,47); one H(31,48); and one H(46) atom. The C(54)-H(30,32,47) bond length is 0.98 Å. The C(54)-H(31,48) bond length is 0.98 Å. The C(54)-H(46) bond length is 0.98 Å. There are thirty-eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(8) atom. In the fourth H site, H(4,5) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(16) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one C(17) atom. In the eleventh H site, H(12,13) is bonded in a single-bond geometry to one C(17) atom. In the twelfth H site, H(14,16) is bonded in a single-bond geometry to one C(18) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one C(18) atom. In the fourteenth H site, H(17) is bonded in a single-bond geometry to one C(21) atom. In the fifteenth H site, H(18) is bonded in a single-bond geometry to one C(25) atom. In the sixteenth H site, H(19) is bonded in a single-bond geometry to one C(26) atom. In the seventeenth H site, H(20,21) is bonded in a single-bond geometry to one C(26) atom. In the eighteenth H site, H(22) is bonded in a single-bond geometry to one C(27) atom. In the nineteenth H site, H(23) is bonded in a single-bond geometry to one C(27) atom. In the twentieth H site, H(24) is bonded in a single-bond geometry to one C(27) atom. In the twenty-first H site, H(25) is bonded in a single-bond geometry to one C(30) atom. In the twenty-second H site, H(26) is bonded in a single-bond geometry to one C(34) atom. In the twenty-third H site, H(27) is bonded in a single-bond geometry to one C(35) atom. In the twenty-fourth H site, H(28,29) is bonded in a single-bond geometry to one C(35) atom. In the twenty-fifth H site, H(30,32,47) is bonded in a single-bond geometry to one C(36) atom. In the twenty-sixth H site, H(31,48) is bonded in a single-bond geometry to one C(36) atom. In the twenty-seventh H site, H(33) is bonded in a single-bond geometry to one C(39) atom. In the twenty-eighth H site, H(34) is bonded in a single-bond geometry to one C(43) atom. In the twenty-ninth H site, H(35,37) is bonded in a single-bond geometry to one C(44) atom. In the thirtieth H site, H(36) is bonded in a single-bond geometry to one C(44) atom. In the thirty-first H site, H(38,39) is bonded in a single-bond geometry to one C(45) atom. In the thirty-second H site, H(40) is bonded in a single-bond geometry to one C(45) atom. In the thirty-third H site, H(41) is bonded in a single-bond geometry to one C(48) atom. In the thirty-fourth H site, H(42) is bonded in a single-bond geometry to one C(52) atom. In the thirty-fifth H site, H(43) is bonded in a single-bond geometry to one C(53) atom. In the thirty-sixth H site, H(44) is bonded in a single-bond geometry to one C(53) atom. In the thirty-seventh H site, H(45) is bonded in a single-bond geometry to one C(53) atom. In the thirty-eighth H site, H(46) is bonded in a single-bond geometry to one C(54) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(2) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(1) and one C(19) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(2) and one C(19) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(1) and one C(37) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cu(2) and one C(37) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cu(1) and one C(46) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cu(2) and one C(46) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cu(3) and one C(28) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Cu(3) and one C(28) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cu(3) and one C(10) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Cu(3) and one C(10) atom. Linkers: 12 Cc1cc(C([O])=O)cc(C)c1-c1c(C)cc(C([O])=O)cc1C. Metal clusters: 6 [C]1O[Cu]234O[C]O[Cu]2(O1)(O[C]O3)O[C]O4. RCSR code: nbo. The MOF has largest included sphere 15.71 A, density 0.59 g/cm3, surface area 4833.19 m2/g, accessible volume 1.35 cm3/g