Cu3C30N3H17O13 crystallizes in the triclinic P1 space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one N(1,2); one O(1); one O(19); one O(2); and one O(21,22) atom. The Cu(1)-N(1,2) bond length is 1.96 Å. The Cu(1)-O(1) bond length is 1.95 Å. The Cu(1)-O(19) bond length is 2.02 Å. The Cu(1)-O(2) bond length is 2.50 Å. The Cu(1)-O(21,22) bond length is 1.98 Å. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one N(1,2); one O(1); one O(2); one O(20); and one O(21,22) atom. The Cu(2)-N(1,2) bond length is 1.96 Å. The Cu(2)-O(1) bond length is 2.49 Å. The Cu(2)-O(2) bond length is 1.95 Å. The Cu(2)-O(20) bond length is 2.02 Å. The Cu(2)-O(21,22) bond length is 1.98 Å. In the third Cu site, Cu(3) is bonded in a distorted rectangular see-saw-like geometry to one N(5), one O(12), one O(17), and one O(7) atom. The Cu(3)-N(5) bond length is 2.00 Å. The Cu(3)-O(12) bond length is 1.95 Å. The Cu(3)-O(17) bond length is 1.98 Å. The Cu(3)-O(7) bond length is 1.96 Å. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one N(6), one O(11), one O(18), and one O(8) atom. The Cu(4)-N(6) bond length is 2.01 Å. The Cu(4)-O(11) bond length is 1.95 Å. The Cu(4)-O(18) bond length is 1.98 Å. The Cu(4)-O(8) bond length is 1.96 Å. In the fifth Cu site, Cu(5) is bonded in a 5-coordinate geometry to one N(3), one O(15), one O(24), one O(5), and one O(9) atom. The Cu(5)-N(3) bond length is 1.98 Å. The Cu(5)-O(15) bond length is 2.00 Å. The Cu(5)-O(24) bond length is 1.97 Å. The Cu(5)-O(5) bond length is 2.35 Å. The Cu(5)-O(9) bond length is 2.10 Å. In the sixth Cu site, Cu(6) is bonded in a 5-coordinate geometry to one N(4), one O(10), one O(16), one O(23), and one O(6) atom. The Cu(6)-N(4) bond length is 1.98 Å. The Cu(6)-O(10) bond length is 2.10 Å. The Cu(6)-O(16) bond length is 1.99 Å. The Cu(6)-O(23) bond length is 1.97 Å. The Cu(6)-O(6) bond length is 2.33 Å. There are fifty-one inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(3,4); one N(1,2); and one H(5,6) atom. The C(1)-C(3,4) bond length is 1.39 Å. The C(1)-N(1,2) bond length is 1.35 Å. The C(1)-H(5,6) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(3,4); one N(1,2); and one H(5,6) atom. The C(2)-C(3,4) bond length is 1.39 Å. The C(2)-N(1,2) bond length is 1.35 Å. The C(2)-H(5,6) bond length is 1.09 Å. In the third C site, C(3,4) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(7) atom. The C(3,4)-C(5) bond length is 1.40 Å. The C(3,4)-H(7) bond length is 1.09 Å. In the fourth C site, C(5) is bonded in a trigonal planar geometry to one C(11,12); one C(3,4); and one C(7,8) atom. The C(5)-C(11,12) bond length is 1.47 Å. The C(5)-C(7,8) bond length is 1.40 Å. In the fifth C site, C(6) is bonded in a trigonal planar geometry to one C(11,12); one C(3,4); and one C(7,8) atom. The C(6)-C(11,12) bond length is 1.47 Å. The C(6)-C(3,4) bond length is 1.40 Å. The C(6)-C(7,8) bond length is 1.40 Å. In the sixth C site, C(7,8) is bonded in a distorted single-bond geometry to one C(5); one C(9); and one H(9,10) atom. The C(7,8)-C(9) bond length is 1.38 Å. The C(7,8)-H(9,10) bond length is 1.09 Å. In the seventh C site, C(9) is bonded in a distorted trigonal planar geometry to one C(7,8); one N(1,2); and one H(11,12) atom. The C(9)-N(1,2) bond length is 1.35 Å. The C(9)-H(11,12) bond length is 1.09 Å. In the eighth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(7,8); one N(1,2); and one H(11,12) atom. The C(10)-C(7,8) bond length is 1.38 Å. The C(10)-N(1,2) bond length is 1.35 Å. The C(10)-H(11,12) bond length is 1.09 Å. In the ninth C site, C(11,12) is bonded in a trigonal planar geometry to one C(13); one C(19,20); and one C(5) atom. The C(11,12)-C(13) bond length is 1.41 Å. The C(11,12)-C(19,20) bond length is 1.40 Å. In the tenth C site, C(13) is bonded in a distorted single-bond geometry to one C(11,12); one C(15,16); and one H(13,14) atom. The C(13)-C(15,16) bond length is 1.39 Å. The C(13)-H(13,14) bond length is 1.09 Å. In the eleventh C site, C(14) is bonded in a distorted single-bond geometry to one C(11,12); one C(15,16); and one H(13,14) atom. The C(14)-C(11,12) bond length is 1.41 Å. The C(14)-C(15,16) bond length is 1.39 Å. The C(14)-H(13,14) bond length is 1.09 Å. In the twelfth C site, C(15,16) is bonded in a distorted trigonal planar geometry to one C(13), one N(3), and one H(15) atom. The C(15,16)-N(3) bond length is 1.35 Å. The C(15,16)-H(15) bond length is 1.09 Å. In the thirteenth C site, C(17,18) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(17) atom. The C(17,18)-N(3) bond length is 1.35 Å. The C(17,18)-H(17) bond length is 1.09 Å. In the fourteenth C site, C(19,20) is bonded in a distorted single-bond geometry to one C(11,12) and one H(19,20) atom. The C(19,20)-H(19,20) bond length is 1.09 Å. In the fifteenth C site, C(21) is bonded in a trigonal planar geometry to one C(23), one C(31), and one C(33) atom. The C(21)-C(23) bond length is 1.40 Å. The C(21)-C(31) bond length is 1.40 Å. The C(21)-C(33) bond length is 1.50 Å. In the sixteenth C site, C(22) is bonded in a trigonal planar geometry to one C(24), one C(32), and one C(34) atom. The C(22)-C(24) bond length is 1.40 Å. The C(22)-C(32) bond length is 1.40 Å. The C(22)-C(34) bond length is 1.50 Å. In the seventeenth C site, C(23) is bonded in a distorted single-bond geometry to one C(21); one C(25); and one H(21,22) atom. The C(23)-C(25) bond length is 1.40 Å. The C(23)-H(21,22) bond length is 1.09 Å. In the eighteenth C site, C(24) is bonded in a distorted single-bond geometry to one C(22); one C(26); and one H(21,22) atom. The C(24)-C(26) bond length is 1.40 Å. The C(24)-H(21,22) bond length is 1.09 Å. In the nineteenth C site, C(25) is bonded in a trigonal planar geometry to one C(23), one C(27), and one C(35) atom. The C(25)-C(27) bond length is 1.41 Å. The C(25)-C(35) bond length is 1.50 Å. In the twentieth C site, C(26) is bonded in a trigonal planar geometry to one C(24), one C(28), and one C(36) atom. The C(26)-C(28) bond length is 1.41 Å. The C(26)-C(36) bond length is 1.50 Å. In the twenty-first C site, C(27) is bonded in a trigonal planar geometry to one C(25), one C(29), and one C(37) atom. The C(27)-C(29) bond length is 1.40 Å. The C(27)-C(37) bond length is 1.51 Å. In the twenty-second C site, C(28) is bonded in a trigonal planar geometry to one C(26), one C(30), and one C(38) atom. The C(28)-C(30) bond length is 1.40 Å. The C(28)-C(38) bond length is 1.51 Å. In the twenty-third C site, C(29) is bonded in a distorted single-bond geometry to one C(27), one C(31), and one H(23) atom. The C(29)-C(31) bond length is 1.40 Å. The C(29)-H(23) bond length is 1.09 Å. In the twenty-fourth C site, C(30) is bonded in a distorted single-bond geometry to one C(28), one C(32), and one H(24) atom. The C(30)-C(32) bond length is 1.40 Å. The C(30)-H(24) bond length is 1.09 Å. In the twenty-fifth C site, C(31) is bonded in a trigonal planar geometry to one C(21), one C(29), and one C(39) atom. The C(31)-C(39) bond length is 1.50 Å. In the twenty-sixth C site, C(32) is bonded in a trigonal planar geometry to one C(22), one C(30), and one C(40) atom. The C(32)-C(40) bond length is 1.50 Å. In the twenty-seventh C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(21), one O(1), and one O(3) atom. The C(33)-O(1) bond length is 1.30 Å. The C(33)-O(3) bond length is 1.24 Å. In the twenty-eighth C site, C(34) is bonded in a distorted bent 120 degrees geometry to one C(22), one O(2), and one O(4) atom. The C(34)-O(2) bond length is 1.30 Å. The C(34)-O(4) bond length is 1.24 Å. In the twenty-ninth C site, C(35) is bonded in a distorted bent 120 degrees geometry to one C(25), one O(7), and one O(9) atom. The C(35)-O(7) bond length is 1.28 Å. The C(35)-O(9) bond length is 1.27 Å. In the thirtieth C site, C(36) is bonded in a distorted bent 120 degrees geometry to one C(26), one O(10), and one O(8) atom. The C(36)-O(10) bond length is 1.27 Å. The C(36)-O(8) bond length is 1.28 Å. In the thirty-first C site, C(37) is bonded in a distorted bent 120 degrees geometry to one C(27), one O(11), and one O(13) atom. The C(37)-O(11) bond length is 1.30 Å. The C(37)-O(13) bond length is 1.24 Å. In the thirty-second C site, C(38) is bonded in a distorted bent 120 degrees geometry to one C(28), one O(12), and one O(14) atom. The C(38)-O(12) bond length is 1.30 Å. The C(38)-O(14) bond length is 1.24 Å. In the thirty-third C site, C(39) is bonded in a distorted bent 120 degrees geometry to one C(31), one O(15), and one O(17) atom. The C(39)-O(15) bond length is 1.27 Å. The C(39)-O(17) bond length is 1.27 Å. In the thirty-fourth C site, C(40) is bonded in a distorted bent 120 degrees geometry to one C(32), one O(16), and one O(18) atom. The C(40)-O(16) bond length is 1.27 Å. The C(40)-O(18) bond length is 1.27 Å. In the thirty-fifth C site, C(41) is bonded in a distorted trigonal planar geometry to one C(43), one N(5), and one H(25) atom. The C(41)-C(43) bond length is 1.39 Å. The C(41)-N(5) bond length is 1.35 Å. The C(41)-H(25) bond length is 1.09 Å. In the thirty-sixth C site, C(42) is bonded in a distorted trigonal planar geometry to one C(44), one N(6), and one H(26) atom. The C(42)-C(44) bond length is 1.39 Å. The C(42)-N(6) bond length is 1.35 Å. The C(42)-H(26) bond length is 1.09 Å. In the thirty-seventh C site, C(43) is bonded in a distorted single-bond geometry to one C(41); one C(45); and one H(27,28) atom. The C(43)-C(45) bond length is 1.40 Å. The C(43)-H(27,28) bond length is 1.09 Å. In the thirty-eighth C site, C(44) is bonded in a distorted single-bond geometry to one C(42); one C(46); and one H(27,28) atom. The C(44)-C(46) bond length is 1.40 Å. The C(44)-H(27,28) bond length is 1.09 Å. In the thirty-ninth C site, C(45) is bonded in a trigonal planar geometry to one C(43), one C(46), and one C(47) atom. The C(45)-C(46) bond length is 1.48 Å. The C(45)-C(47) bond length is 1.41 Å. In the fortieth C site, C(46) is bonded in a trigonal planar geometry to one C(44), one C(45), and one C(48) atom. The C(46)-C(48) bond length is 1.41 Å. In the forty-first C site, C(47) is bonded in a distorted single-bond geometry to one C(45), one C(49), and one H(29) atom. The C(47)-C(49) bond length is 1.39 Å. The C(47)-H(29) bond length is 1.09 Å. In the forty-second C site, C(48) is bonded in a distorted single-bond geometry to one C(46), one C(50), and one H(30) atom. The C(48)-C(50) bond length is 1.39 Å. The C(48)-H(30) bond length is 1.09 Å. In the forty-third C site, C(49) is bonded in a distorted trigonal planar geometry to one C(47), one N(5), and one H(31) atom. The C(49)-N(5) bond length is 1.35 Å. The C(49)-H(31) bond length is 1.09 Å. In the forty-fourth C site, C(50) is bonded in a distorted trigonal planar geometry to one C(48), one N(6), and one H(32) atom. The C(50)-N(6) bond length is 1.35 Å. The C(50)-H(32) bond length is 1.09 Å. In the forty-fifth C site, C(51,52) is bonded in a distorted bent 120 degrees geometry to one C(53,54); one O(19); and one O(21,22) atom. The C(51,52)-C(53,54) bond length is 1.50 Å. The C(51,52)-O(19) bond length is 1.27 Å. The C(51,52)-O(21,22) bond length is 1.28 Å. In the forty-sixth C site, C(53,54) is bonded in a trigonal planar geometry to one C(51,52); one C(55,56); and one C(57) atom. The C(53,54)-C(55,56) bond length is 1.40 Å. The C(53,54)-C(57) bond length is 1.40 Å. In the forty-seventh C site, C(55,56) is bonded in a distorted single-bond geometry to one C(53,54); one C(58); and one H(33,34) atom. The C(55,56)-C(58) bond length is 1.40 Å. The C(55,56)-H(33,34) bond length is 1.09 Å. In the forty-eighth C site, C(57) is bonded in a trigonal planar geometry to one C(53,54); one C(55,56); and one C(59) atom. The C(57)-C(55,56) bond length is 1.40 Å. The C(57)-C(59) bond length is 1.50 Å. In the forty-ninth C site, C(58) is bonded in a trigonal planar geometry to one C(53,54); one C(55,56); and one C(60) atom. The C(58)-C(53,54) bond length is 1.40 Å. The C(58)-C(60) bond length is 1.51 Å. In the fiftieth C site, C(59) is bonded in a distorted bent 120 degrees geometry to one C(57), one O(23), and one O(25) atom. The C(59)-O(23) bond length is 1.29 Å. The C(59)-O(25) bond length is 1.26 Å. In the fifty-first C site, C(60) is bonded in a distorted bent 120 degrees geometry to one C(58), one O(24), and one O(26) atom. The C(60)-O(24) bond length is 1.29 Å. The C(60)-O(26) bond length is 1.26 Å. There are five inequivalent N sites. In the first N site, N(1,2) is bonded in a trigonal planar geometry to one Cu(1), one C(1), and one C(9) atom. In the second N site, N(3) is bonded in a trigonal planar geometry to one Cu(5); one C(15,16); and one C(17,18) atom. In the third N site, N(4) is bonded in a trigonal planar geometry to one Cu(6); one C(15,16); and one C(17,18) atom. The N(4)-C(15,16) bond length is 1.35 Å. The N(4)-C(17,18) bond length is 1.35 Å. In the fourth N site, N(5) is bonded in a trigonal planar geometry to one Cu(3), one C(41), and one C(49) atom. In the fifth N site, N(6) is bonded in a trigonal planar geometry to one Cu(4), one C(42), and one C(50) atom. There are twenty-six inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(26) and one O(5) atom. The H(1)-O(26) bond length is 1.61 Å. The H(1)-O(5) bond length is 1.01 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(25) and one O(6) atom. The H(2)-O(25) bond length is 1.61 Å. The H(2)-O(6) bond length is 1.01 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. The H(3)-O(5) bond length is 0.97 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. The H(4)-O(6) bond length is 0.97 Å. In the fifth H site, H(5,6) is bonded in a single-bond geometry to one C(1) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(3,4) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(3,4) atom. The H(8)-C(3,4) bond length is 1.09 Å. In the eighth H site, H(9,10) is bonded in a single-bond geometry to one C(7,8) atom. In the ninth H site, H(11,12) is bonded in a single-bond geometry to one C(9) atom. In the tenth H site, H(13,14) is bonded in a single-bond geometry to one C(13) atom. In the eleventh H site, H(15) is bonded in a single-bond geometry to one C(15,16) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(15,16) atom. The H(16)-C(15,16) bond length is 1.09 Å. In the thirteenth H site, H(17) is bonded in a single-bond geometry to one C(17,18) atom. In the fourteenth H site, H(18) is bonded in a single-bond geometry to one C(17,18) atom. The H(18)-C(17,18) bond length is 1.09 Å. In the fifteenth H site, H(19,20) is bonded in a single-bond geometry to one C(19,20) atom. In the sixteenth H site, H(21,22) is bonded in a single-bond geometry to one C(23) atom. In the seventeenth H site, H(23) is bonded in a single-bond geometry to one C(29) atom. In the eighteenth H site, H(24) is bonded in a single-bond geometry to one C(30) atom. In the nineteenth H site, H(25) is bonded in a single-bond geometry to one C(41) atom. In the twentieth H site, H(26) is bonded in a single-bond geometry to one C(42) atom. In the twenty-first H site, H(27,28) is bonded in a single-bond geometry to one C(43) atom. In the twenty-second H site, H(29) is bonded in a single-bond geometry to one C(47) atom. In the twenty-third H site, H(30) is bonded in a single-bond geometry to one C(48) atom. In the twenty-fourth H site, H(31) is bonded in a single-bond geometry to one C(49) atom. In the twenty-fifth H site, H(32) is bonded in a single-bond geometry to one C(50) atom. In the twenty-sixth H site, H(33,34) is bonded in a single-bond geometry to one C(55,56) atom. There are twenty-five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one C(33) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one C(34) atom. In the third O site, O(3) is bonded in a single-bond geometry to one C(33) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one C(34) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one Cu(5), one H(1), and one H(3) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Cu(6), one H(2), and one H(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(35) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(36) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cu(5) and one C(35) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(6) and one C(36) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cu(4) and one C(37) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one C(38) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one C(37) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one C(38) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Cu(5) and one C(39) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Cu(6) and one C(40) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(39) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(40) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(51,52) atom. In the twentieth O site, O(20) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(51,52) atom. The O(20)-C(51,52) bond length is 1.27 Å. In the twenty-first O site, O(21,22) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(51,52) atom. In the twenty-second O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Cu(6) and one C(59) atom. In the twenty-third O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Cu(5) and one C(60) atom. In the twenty-fourth O site, O(25) is bonded in a bent 120 degrees geometry to one C(59) and one H(2) atom. In the twenty-fifth O site, O(26) is bonded in a bent 120 degrees geometry to one C(60) and one H(1) atom. Linkers: 3 [O]C(=O)c1cc(C([O])=O)c(C([O])=O)cc1C([O])=O ,3 c1cc(-c2ccncc2)ccn1. Metal clusters: 1 O=[C]O[Cu@]12O[C]O[Cu@]1(O[C]=O)O[C]O2 ,2 O.O=[C]O[Cu@]12O[C]O[Cu@]1(O[C]=O)O[C]O2. RCSR code: sql. The MOF has largest included sphere 2.67 A, density 1.94 g/cm3, surface area 3370.46 m2/g, accessible volume 0.08 cm3/g