Nd2Co3C40H20(N4O13)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 8-coordinate geometry to one O(11), one O(14), one O(15), one O(19), one O(20), one O(21), one O(22), and one O(23) atom. The Nd(1)-O(11) bond length is 2.31 Å. The Nd(1)-O(14) bond length is 2.37 Å. The Nd(1)-O(15) bond length is 2.42 Å. The Nd(1)-O(19) bond length is 2.50 Å. The Nd(1)-O(20) bond length is 2.64 Å. The Nd(1)-O(21) bond length is 2.65 Å. The Nd(1)-O(22) bond length is 2.46 Å. The Nd(1)-O(23) bond length is 2.44 Å. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to one O(12), one O(13), one O(16), one O(19), one O(20), one O(21), one O(22), and one O(24) atom. The Nd(2)-O(12) bond length is 2.32 Å. The Nd(2)-O(13) bond length is 2.37 Å. The Nd(2)-O(16) bond length is 2.42 Å. The Nd(2)-O(19) bond length is 2.63 Å. The Nd(2)-O(20) bond length is 2.51 Å. The Nd(2)-O(21) bond length is 2.46 Å. The Nd(2)-O(22) bond length is 2.64 Å. The Nd(2)-O(24) bond length is 2.44 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent O(1), and two equivalent O(3) atoms. Both Co(1)-N(1) bond lengths are 2.10 Å. Both Co(1)-O(1) bond lengths are 2.14 Å. Both Co(1)-O(3) bond lengths are 2.11 Å. In the second Co site, Co(2) is bonded in an octahedral geometry to two equivalent N(2), two equivalent O(2), and two equivalent O(4) atoms. Both Co(2)-N(2) bond lengths are 1.92 Å. Both Co(2)-O(2) bond lengths are 2.30 Å. Both Co(2)-O(4) bond lengths are 1.94 Å. In the third Co site, Co(3) is bonded in an octahedral geometry to one N(5), one O(18), one O(25), one O(5), one O(7), and one O(9) atom. The Co(3)-N(5) bond length is 2.09 Å. The Co(3)-O(18) bond length is 2.03 Å. The Co(3)-O(25) bond length is 2.30 Å. The Co(3)-O(5) bond length is 2.13 Å. The Co(3)-O(7) bond length is 2.10 Å. The Co(3)-O(9) bond length is 1.97 Å. In the fourth Co site, Co(4) is bonded in an octahedral geometry to one N(6), one O(10), one O(17), one O(26), one O(6), and one O(8) atom. The Co(4)-N(6) bond length is 2.08 Å. The Co(4)-O(10) bond length is 1.98 Å. The Co(4)-O(17) bond length is 2.03 Å. The Co(4)-O(26) bond length is 2.32 Å. The Co(4)-O(6) bond length is 2.11 Å. The Co(4)-O(8) bond length is 2.14 Å. There are forty inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(7) atom. The C(1)-O(3) bond length is 1.27 Å. The C(1)-O(7) bond length is 1.27 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(8) atom. The C(2)-O(4) bond length is 1.28 Å. The C(2)-O(8) bond length is 1.26 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(5) atom. The C(3)-O(1) bond length is 1.28 Å. The C(3)-O(5) bond length is 1.26 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(6) atom. The C(4)-O(2) bond length is 1.27 Å. The C(4)-O(6) bond length is 1.27 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one C(7), one O(11), and one O(9) atom. The C(5)-C(7) bond length is 1.50 Å. The C(5)-O(11) bond length is 1.27 Å. The C(5)-O(9) bond length is 1.27 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(10), and one O(12) atom. The C(6)-C(8) bond length is 1.50 Å. The C(6)-O(10) bond length is 1.27 Å. The C(6)-O(12) bond length is 1.27 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one C(17), one C(5), and one C(9) atom. The C(7)-C(17) bond length is 1.42 Å. The C(7)-C(9) bond length is 1.39 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(10), one C(18), and one C(6) atom. The C(8)-C(10) bond length is 1.39 Å. The C(8)-C(18) bond length is 1.42 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(11), one C(7), and one H(1) atom. The C(9)-C(11) bond length is 1.40 Å. The C(9)-H(1) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(12), one C(8), and one H(2) atom. The C(10)-C(12) bond length is 1.40 Å. The C(10)-H(2) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted single-bond geometry to one C(13), one C(9), and one N(1) atom. The C(11)-C(13) bond length is 1.42 Å. The C(11)-N(1) bond length is 1.39 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(10), one C(14), and one N(2) atom. The C(12)-C(14) bond length is 1.42 Å. The C(12)-N(2) bond length is 1.39 Å. In the thirteenth C site, C(13) is bonded in a distorted single-bond geometry to one C(11), one C(15), and one N(3) atom. The C(13)-C(15) bond length is 1.39 Å. The C(13)-N(3) bond length is 1.38 Å. In the fourteenth C site, C(14) is bonded in a distorted single-bond geometry to one C(12), one C(16), and one N(4) atom. The C(14)-C(16) bond length is 1.39 Å. The C(14)-N(4) bond length is 1.38 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(13), one C(17), and one H(3) atom. The C(15)-C(17) bond length is 1.40 Å. The C(15)-H(3) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(14), one C(18), and one H(4) atom. The C(16)-C(18) bond length is 1.40 Å. The C(16)-H(4) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one C(15), one C(19), and one C(7) atom. The C(17)-C(19) bond length is 1.48 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one C(16), one C(20), and one C(8) atom. The C(18)-C(20) bond length is 1.49 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(17), one O(13), and one O(15) atom. The C(19)-O(13) bond length is 1.27 Å. The C(19)-O(15) bond length is 1.28 Å. In the twentieth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(18), one O(14), and one O(16) atom. The C(20)-O(14) bond length is 1.27 Å. The C(20)-O(16) bond length is 1.28 Å. In the twenty-first C site, C(21) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(5) atom. The C(21)-N(1) bond length is 1.33 Å. The C(21)-N(3) bond length is 1.36 Å. The C(21)-H(5) bond length is 1.09 Å. In the twenty-second C site, C(22) is bonded in a trigonal planar geometry to one N(2), one N(4), and one H(6) atom. The C(22)-N(2) bond length is 1.34 Å. The C(22)-N(4) bond length is 1.35 Å. The C(22)-H(6) bond length is 1.08 Å. In the twenty-third C site, C(23) is bonded in a distorted bent 120 degrees geometry to one C(25), one O(17), and one O(19) atom. The C(23)-C(25) bond length is 1.51 Å. The C(23)-O(17) bond length is 1.26 Å. The C(23)-O(19) bond length is 1.29 Å. In the twenty-fourth C site, C(24) is bonded in a distorted bent 120 degrees geometry to one C(26), one O(18), and one O(20) atom. The C(24)-C(26) bond length is 1.51 Å. The C(24)-O(18) bond length is 1.26 Å. The C(24)-O(20) bond length is 1.29 Å. In the twenty-fifth 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 1.39 Å. The C(25)-C(35) bond length is 1.43 Å. In the twenty-sixth 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 1.39 Å. The C(26)-C(36) bond length is 1.43 Å. In the twenty-seventh C site, C(27) is bonded in a distorted single-bond geometry to one C(25); one C(29); and one H(7,8) atom. The C(27)-C(29) bond length is 1.40 Å. The C(27)-H(7,8) bond length is 1.09 Å. In the twenty-eighth C site, C(28) is bonded in a distorted single-bond geometry to one C(26); one C(30); and one H(7,8) atom. The C(28)-C(30) bond length is 1.40 Å. The C(28)-H(7,8) bond length is 1.09 Å. In the twenty-ninth C site, C(29) is bonded in a distorted single-bond geometry to one C(27), one C(31), and one N(7) atom. The C(29)-C(31) bond length is 1.42 Å. The C(29)-N(7) bond length is 1.38 Å. In the thirtieth C site, C(30) is bonded in a distorted single-bond geometry to one C(28), one C(32), and one N(8) atom. The C(30)-C(32) bond length is 1.42 Å. The C(30)-N(8) bond length is 1.38 Å. In the thirty-first C site, C(31) is bonded in a distorted trigonal planar geometry to one C(29), one C(33), and one N(5) atom. The C(31)-C(33) bond length is 1.39 Å. The C(31)-N(5) bond length is 1.40 Å. In the thirty-second C site, C(32) is bonded in a distorted trigonal planar geometry to one C(30), one C(34), and one N(6) atom. The C(32)-C(34) bond length is 1.39 Å. The C(32)-N(6) bond length is 1.40 Å. In the thirty-third C site, C(33) is bonded in a distorted single-bond geometry to one C(31); one C(35); and one H(9,10) atom. The C(33)-C(35) bond length is 1.40 Å. The C(33)-H(9,10) bond length is 1.09 Å. In the thirty-fourth C site, C(34) is bonded in a distorted single-bond geometry to one C(32); one C(36); and one H(9,10) atom. The C(34)-C(36) bond length is 1.40 Å. The C(34)-H(9,10) bond length is 1.09 Å. In the thirty-fifth C site, C(35) is bonded in a trigonal planar geometry to one C(25), one C(33), and one C(37) atom. The C(35)-C(37) bond length is 1.49 Å. In the thirty-sixth C site, C(36) is bonded in a trigonal planar geometry to one C(26), one C(34), and one C(38) atom. The C(36)-C(38) bond length is 1.49 Å. In the thirty-seventh C site, C(37) is bonded in a distorted bent 120 degrees geometry to one C(35), one O(21), and one O(23) atom. The C(37)-O(21) bond length is 1.29 Å. The C(37)-O(23) bond length is 1.28 Å. In the thirty-eighth C site, C(38) is bonded in a distorted bent 120 degrees geometry to one C(36), one O(22), and one O(24) atom. The C(38)-O(22) bond length is 1.29 Å. The C(38)-O(24) bond length is 1.28 Å. In the thirty-ninth C site, C(39) is bonded in a trigonal planar geometry to one N(5), one N(7), and one H(11) atom. The C(39)-N(5) bond length is 1.33 Å. The C(39)-N(7) bond length is 1.36 Å. The C(39)-H(11) bond length is 1.08 Å. In the fortieth C site, C(40) is bonded in a trigonal planar geometry to one N(6), one N(8), and one H(12) atom. The C(40)-N(6) bond length is 1.33 Å. The C(40)-N(8) bond length is 1.36 Å. The C(40)-H(12) bond length is 1.08 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Co(1), one C(11), and one C(21) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Co(2), one C(12), and one C(22) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(13), one C(21), and one H(13) atom. The N(3)-H(13) bond length is 1.03 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(14), one C(22), and one H(14) atom. The N(4)-H(14) bond length is 1.03 Å. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Co(3), one C(31), and one C(39) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Co(4), one C(32), and one C(40) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one C(29), one C(39), and one H(15) atom. The N(7)-H(15) bond length is 1.02 Å. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one C(30), one C(40), and one H(16) atom. The N(8)-H(16) bond length is 1.03 Å. There are eighteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(10) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(15) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(16) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(21) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(22) atom. In the seventh H site, H(7,8) is bonded in a single-bond geometry to one C(27) atom. In the eighth H site, H(9,10) is bonded in a single-bond geometry to one C(33) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(39) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(40) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one N(3) and one O(1) atom. The H(13)-O(1) bond length is 1.74 Å. In the twelfth H site, H(14) is bonded in a single-bond geometry to one N(4) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one N(7) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one N(8) atom. In the fifteenth H site, H(17) is bonded in a single-bond geometry to one O(25) atom. The H(17)-O(25) bond length is 0.97 Å. In the sixteenth H site, H(18) is bonded in a single-bond geometry to one O(26) atom. The H(18)-O(26) bond length is 0.97 Å. In the seventeenth H site, H(19) is bonded in a single-bond geometry to one O(25) atom. The H(19)-O(25) bond length is 0.99 Å. In the eighteenth H site, H(20) is bonded in a single-bond geometry to one O(26) atom. The H(20)-O(26) bond length is 0.99 Å. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(1), one C(3), and one H(13) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Co(2) and one C(4) atom. In the third O site, O(3) is bonded in a water-like geometry to one Co(1) and one C(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(2) and one C(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Co(3) and one C(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Co(4) and one C(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Co(3) and one C(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(4) and one C(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Co(3) and one C(5) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Co(4) and one C(6) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one C(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Nd(2) and one C(6) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Nd(2) and one C(19) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one C(20) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Nd(1) and one C(19) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Nd(2) and one C(20) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one Co(4) and one C(23) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one C(24) atom. In the nineteenth O site, O(19) is bonded in a distorted single-bond geometry to one Nd(1), one Nd(2), and one C(23) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Nd(1), one Nd(2), and one C(24) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one Nd(1), one Nd(2), and one C(37) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Nd(1), one Nd(2), and one C(38) atom. In the twenty-third O site, O(23) is bonded in a distorted water-like geometry to one Nd(1) and one C(37) atom. In the twenty-fourth O site, O(24) is bonded in a distorted water-like geometry to one Nd(2) and one C(38) atom. In the twenty-fifth O site, O(25) is bonded in a distorted water-like geometry to one Co(3), one H(17), and one H(19) atom. In the twenty-sixth O site, O(26) is bonded in a water-like geometry to one Co(4), one H(18), and one H(20) atom. Linkers: 8 [O]C(=O)c1cc2nc[nH]c2cc1C([O])=O ,4 [O]C(=O)C([O])=O. Metal clusters: 4 [Nd] ,6 [Co]. The MOF has largest included sphere 5.05 A, density 2.08 g/cm3, surface area 2676.50 m2/g, accessible volume 0.12 cm3/g