Nd8C75H31(NO4)12(CH)9 crystallizes in the monoclinic P2_1 space group. The structure consists of eighteen 02329_fluka molecules inside a Nd8C75H31(NO4)12 framework. In the Nd8C75H31(NO4)12 framework, there are four inequivalent Nd sites. In the first Nd site, Nd(1,5) is bonded in a 8-coordinate geometry to one N(2,10); one O(1); one O(10,34); one O(13,37); one O(15,39); one O(23,47); one O(8); and one O(9,33) atom. The Nd(1,5)-N(2,10) bond length is 2.70 Å. The Nd(1,5)-O(1) bond length is 2.58 Å. The Nd(1,5)-O(10,34) bond length is 2.57 Å. The Nd(1,5)-O(13,37) bond length is 2.47 Å. The Nd(1,5)-O(15,39) bond length is 2.48 Å. The Nd(1,5)-O(23,47) bond length is 2.43 Å. The Nd(1,5)-O(8) bond length is 2.47 Å. The Nd(1,5)-O(9,33) bond length is 2.65 Å. In the second Nd site, Nd(2,6) is bonded in a 8-coordinate geometry to one N(1,9); one O(10,34); one O(12,36); one O(14,38); one O(17,41); one O(18,42); one O(2); and one O(3) atom. The Nd(2,6)-N(1,9) bond length is 2.67 Å. The Nd(2,6)-O(10,34) bond length is 2.44 Å. The Nd(2,6)-O(12,36) bond length is 2.42 Å. The Nd(2,6)-O(14,38) bond length is 2.42 Å. The Nd(2,6)-O(17,41) bond length is 2.67 Å. The Nd(2,6)-O(18,42) bond length is 2.51 Å. The Nd(2,6)-O(2) bond length is 2.70 Å. The Nd(2,6)-O(3) bond length is 2.35 Å. In the third Nd site, Nd(3,7) is bonded in a 8-coordinate geometry to one N(3,11); one O(11,35); one O(18,42); one O(20,44); one O(21,45); one O(22,46); one O(4); and one O(5) atom. The Nd(3,7)-N(3,11) bond length is 2.67 Å. The Nd(3,7)-O(11,35) bond length is 2.42 Å. The Nd(3,7)-O(18,42) bond length is 2.52 Å. The Nd(3,7)-O(20,44) bond length is 2.45 Å. The Nd(3,7)-O(21,45) bond length is 2.66 Å. The Nd(3,7)-O(22,46) bond length is 2.62 Å. The Nd(3,7)-O(4) bond length is 2.50 Å. The Nd(3,7)-O(5) bond length is 2.38 Å. In the fourth Nd site, Nd(4,8) is bonded in a 8-coordinate geometry to one N(4,12); one O(15,39); one O(16,40); one O(19,43); one O(22,46); one O(24,48); one O(6); and one O(7) atom. The Nd(4,8)-N(4,12) bond length is 2.72 Å. The Nd(4,8)-O(15,39) bond length is 2.55 Å. The Nd(4,8)-O(16,40) bond length is 2.64 Å. The Nd(4,8)-O(19,43) bond length is 2.41 Å. The Nd(4,8)-O(22,46) bond length is 2.43 Å. The Nd(4,8)-O(24,48) bond length is 2.44 Å. The Nd(4,8)-O(6) bond length is 2.48 Å. The Nd(4,8)-O(7) bond length is 2.41 Å. There are fifty-one inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one C(3), one O(1), and one O(2) atom. The C(1)-C(3) bond length is 1.52 Å. The C(1)-O(1) bond length is 1.29 Å. The C(1)-O(2) bond length is 1.25 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(3) and one H(1) atom. The C(2)-C(3) bond length is 1.32 Å. The C(2)-H(1) bond length is 0.93 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(1), one C(2), and one C(42) atom. The C(3)-C(42) bond length is 1.41 Å. In the fourth C site, C(4) is bonded in a bent 120 degrees geometry to one C(5), one O(3), and one O(4) atom. The C(4)-C(5) bond length is 1.46 Å. The C(4)-O(3) bond length is 1.28 Å. The C(4)-O(4) bond length is 1.25 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(43), and one C(6) atom. The C(5)-C(43) bond length is 1.45 Å. The C(5)-C(6) bond length is 1.46 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(5) and one H(2) atom. The C(6)-H(2) bond length is 0.93 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(5), and one O(6) atom. The C(7)-C(9) bond length is 1.50 Å. The C(7)-O(5) bond length is 1.23 Å. The C(7)-O(6) bond length is 1.20 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(9) and one H(3) atom. The C(8)-C(9) bond length is 1.29 Å. The C(8)-H(3) bond length is 0.93 Å. In the ninth C site, C(9) is bonded in a trigonal planar geometry to one C(41), one C(7), and one C(8) atom. The C(9)-C(41) bond length is 1.47 Å. In the tenth C site, C(10) is bonded in a bent 120 degrees geometry to one C(11), one O(7), and one O(8) atom. The C(10)-C(11) bond length is 1.51 Å. The C(10)-O(7) bond length is 1.22 Å. The C(10)-O(8) 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(44) atom. The C(11)-C(12) bond length is 1.48 Å. The C(11)-C(44) bond length is 1.30 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(11) and one H(4) atom. The C(12)-H(4) bond length is 0.93 Å. In the thirteenth C site, C(13,57) is bonded in a distorted bent 120 degrees geometry to one O(10,34) and one O(9,33) atom. The C(13,57)-O(10,34) bond length is 1.26 Å. The C(13,57)-O(9,33) bond length is 1.30 Å. In the fourteenth C site, C(14,58) is bonded in a distorted single-bond geometry to one N(1,9) atom. The C(14,58)-N(1,9) bond length is 1.31 Å. In the fifteenth C site, C(16,60) is bonded in a distorted single-bond geometry to one C(17,61) and one H(6,26) atom. The C(16,60)-C(17,61) bond length is 1.41 Å. The C(16,60)-H(6,26) bond length is 0.93 Å. In the sixteenth C site, C(17,61) is bonded in a trigonal planar geometry to one C(16,60); one C(18,62); and one C(19,63) atom. The C(17,61)-C(18,62) bond length is 1.41 Å. The C(17,61)-C(19,63) bond length is 1.49 Å. In the seventeenth C site, C(18,62) is bonded in a distorted bent 120 degrees geometry to one C(17,61); one N(1,9); and one H(7,27) atom. The C(18,62)-N(1,9) bond length is 1.35 Å. The C(18,62)-H(7,27) bond length is 0.93 Å. In the eighteenth C site, C(19,63) is bonded in a distorted bent 120 degrees geometry to one C(17,61); one O(11,35); and one O(12,36) atom. The C(19,63)-O(11,35) bond length is 1.24 Å. The C(19,63)-O(12,36) bond length is 1.31 Å. In the nineteenth C site, C(20,64) is bonded in a distorted bent 120 degrees geometry to one C(21,65); one O(13,37); and one O(14,38) atom. The C(20,64)-C(21,65) bond length is 1.50 Å. The C(20,64)-O(13,37) bond length is 1.21 Å. The C(20,64)-O(14,38) bond length is 1.30 Å. In the twentieth C site, C(21,65) is bonded in a trigonal planar geometry to one C(20,64); one C(22,66); and one C(25,69) atom. The C(21,65)-C(22,66) bond length is 1.39 Å. The C(21,65)-C(25,69) bond length is 1.45 Å. In the twenty-first C site, C(22,66) is bonded in a distorted single-bond geometry to one C(21,65) and one H(8,28) atom. The C(22,66)-H(8,28) bond length is 0.93 Å. In the twenty-second C site, C(24,68) is bonded in a distorted single-bond geometry to one N(2,10) atom. The C(24,68)-N(2,10) bond length is 1.38 Å. In the twenty-third C site, C(25,69) is bonded in a distorted bent 120 degrees geometry to one C(21,65); one N(2,10); and one H(10,30) atom. The C(25,69)-N(2,10) bond length is 1.27 Å. The C(25,69)-H(10,30) bond length is 0.93 Å. In the twenty-fourth C site, C(26,70) is bonded in a distorted bent 120 degrees geometry to one O(15,39) and one O(16,40) atom. The C(26,70)-O(15,39) bond length is 1.33 Å. The C(26,70)-O(16,40) bond length is 1.24 Å. In the twenty-fifth C site, C(27,71) is bonded in a distorted bent 120 degrees geometry to one O(17,41) and one O(18,42) atom. The C(27,71)-O(17,41) bond length is 1.26 Å. The C(27,71)-O(18,42) bond length is 1.25 Å. In the twenty-sixth C site, C(28,72) is bonded in a distorted single-bond geometry to one N(3,11) atom. The C(28,72)-N(3,11) bond length is 1.38 Å. In the twenty-seventh C site, C(30,74) is bonded in a distorted single-bond geometry to one C(31,75) and one H(12,32) atom. The C(30,74)-C(31,75) bond length is 1.36 Å. The C(30,74)-H(12,32) bond length is 0.93 Å. In the twenty-eighth C site, C(31,75) is bonded in a trigonal planar geometry to one C(30,74); one C(32,76); and one C(33,77) atom. The C(31,75)-C(32,76) bond length is 1.43 Å. The C(31,75)-C(33,77) bond length is 1.46 Å. In the twenty-ninth C site, C(32,76) is bonded in a distorted bent 120 degrees geometry to one C(31,75); one N(3,11); and one H(13,33) atom. The C(32,76)-N(3,11) bond length is 1.36 Å. The C(32,76)-H(13,33) bond length is 0.93 Å. In the thirtieth C site, C(33,77) is bonded in a distorted bent 120 degrees geometry to one C(31,75); one O(19,43); and one O(20,44) atom. The C(33,77)-O(19,43) bond length is 1.22 Å. The C(33,77)-O(20,44) bond length is 1.30 Å. In the thirty-first C site, C(34,78) is bonded in a distorted bent 120 degrees geometry to one O(21,45) and one O(22,46) atom. The C(34,78)-O(21,45) bond length is 1.26 Å. The C(34,78)-O(22,46) bond length is 1.24 Å. In the thirty-second C site, C(35,79) is bonded in a distorted single-bond geometry to one N(4,12) atom. The C(35,79)-N(4,12) bond length is 1.27 Å. In the thirty-third C site, C(37,81) is bonded in a distorted single-bond geometry to one C(38,82) and one H(15,35) atom. The C(37,81)-C(38,82) bond length is 1.36 Å. The C(37,81)-H(15,35) bond length is 0.93 Å. In the thirty-fourth C site, C(38,82) is bonded in a trigonal planar geometry to one C(37,81); one C(39,83); and one C(40,84) atom. The C(38,82)-C(39,83) bond length is 1.42 Å. The C(38,82)-C(40,84) bond length is 1.44 Å. In the thirty-fifth C site, C(39,83) is bonded in a distorted bent 120 degrees geometry to one C(38,82); one N(4,12); and one H(16,36) atom. The C(39,83)-N(4,12) bond length is 1.33 Å. The C(39,83)-H(16,36) bond length is 0.93 Å. In the thirty-sixth C site, C(40,84) is bonded in a distorted bent 120 degrees geometry to one C(38,82); one O(23,47); and one O(24,48) atom. The C(40,84)-O(23,47) bond length is 1.32 Å. The C(40,84)-O(24,48) bond length is 1.24 Å. In the thirty-seventh C site, C(41) is bonded in a distorted bent 120 degrees geometry to one C(9), one N(7), and one H(17) atom. The C(41)-N(7) bond length is 1.26 Å. The C(41)-H(17) bond length is 0.93 Å. In the thirty-eighth C site, C(42) is bonded in a distorted bent 120 degrees geometry to one C(3), one N(5), and one H(18) atom. The C(42)-N(5) bond length is 1.27 Å. The C(42)-H(18) bond length is 0.93 Å. In the thirty-ninth C site, C(43) is bonded in a distorted trigonal planar geometry to one C(5), one N(6), and one H(19) atom. The C(43)-N(6) bond length is 1.37 Å. The C(43)-H(19) bond length is 0.93 Å. In the fortieth C site, C(44) is bonded in a distorted trigonal planar geometry to one C(11), one N(8), and one H(20) atom. The C(44)-N(8) bond length is 1.34 Å. The C(44)-H(20) bond length is 0.93 Å. In the forty-first C site, C(45) is bonded in a bent 120 degrees geometry to one C(47), one O(25), and one O(26) atom. The C(45)-C(47) bond length is 1.52 Å. The C(45)-O(25) bond length is 1.29 Å. The C(45)-O(26) bond length is 1.25 Å. In the forty-second C site, C(46) is bonded in a distorted single-bond geometry to one C(47) and one H(21) atom. The C(46)-C(47) bond length is 1.32 Å. The C(46)-H(21) bond length is 0.93 Å. In the forty-third C site, C(47) is bonded in a distorted trigonal planar geometry to one C(45), one C(46), and one N(5) atom. The C(47)-N(5) bond length is 1.41 Å. In the forty-fourth C site, C(48) is bonded in a bent 120 degrees geometry to one C(49), one O(27), and one O(28) atom. The C(48)-C(49) bond length is 1.46 Å. The C(48)-O(27) bond length is 1.28 Å. The C(48)-O(28) bond length is 1.25 Å. In the forty-fifth C site, C(49) is bonded in a distorted trigonal planar geometry to one C(48), one C(50), and one N(6) atom. The C(49)-C(50) bond length is 1.46 Å. The C(49)-N(6) bond length is 1.45 Å. In the forty-sixth C site, C(50) is bonded in a distorted single-bond geometry to one C(49) and one H(22) atom. The C(50)-H(22) bond length is 0.93 Å. In the forty-seventh C site, C(51) is bonded in a distorted bent 120 degrees geometry to one C(53), one O(29), and one O(30) atom. The C(51)-C(53) bond length is 1.50 Å. The C(51)-O(29) bond length is 1.23 Å. The C(51)-O(30) bond length is 1.20 Å. In the forty-eighth C site, C(52) is bonded in a distorted single-bond geometry to one C(53) and one H(23) atom. The C(52)-C(53) bond length is 1.29 Å. The C(52)-H(23) bond length is 0.93 Å. In the forty-ninth C site, C(53) is bonded in a distorted trigonal planar geometry to one C(51), one C(52), and one N(7) atom. The C(53)-N(7) bond length is 1.47 Å. In the fiftieth C site, C(54) is bonded in a bent 120 degrees geometry to one O(31) and one O(32) atom. The C(54)-O(31) bond length is 1.22 Å. The C(54)-O(32) bond length is 1.26 Å. In the fifty-first C site, C(55) is bonded in a distorted single-bond geometry to one N(8) atom. The C(55)-N(8) bond length is 1.30 Å. There are eight inequivalent N sites. In the first N site, N(1,9) is bonded in a distorted trigonal planar geometry to one Nd(2,6); one C(14,58); and one C(18,62) atom. In the second N site, N(2,10) is bonded in a distorted bent 120 degrees geometry to one Nd(1,5); one C(24,68); and one C(25,69) atom. In the third N site, N(3,11) is bonded in a distorted trigonal planar geometry to one Nd(3,7); one C(28,72); and one C(32,76) atom. In the fourth N site, N(4,12) is bonded in a distorted bent 120 degrees geometry to one Nd(4,8); one C(35,79); and one C(39,83) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(42), one C(47), and one H(38) atom. The N(5)-H(38) bond length is 0.93 Å. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(43), one C(49), and one H(39) atom. The N(6)-H(39) bond length is 0.93 Å. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one C(41), one C(53), and one H(37) atom. The N(7)-H(37) bond length is 0.93 Å. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one C(44), one C(55), and one H(40) atom. The N(8)-H(40) bond length is 0.93 Å. There are twenty-three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) 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) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(6,26) is bonded in a single-bond geometry to one C(16,60) atom. In the sixth H site, H(7,27) is bonded in a single-bond geometry to one C(18,62) atom. In the seventh H site, H(8,28) is bonded in a single-bond geometry to one C(22,66) atom. In the eighth H site, H(10,30) is bonded in a single-bond geometry to one C(25,69) atom. In the ninth H site, H(12,32) is bonded in a single-bond geometry to one C(30,74) atom. In the tenth H site, H(13,33) is bonded in a single-bond geometry to one C(32,76) atom. In the eleventh H site, H(15,35) is bonded in a single-bond geometry to one C(37,81) atom. In the twelfth H site, H(16,36) is bonded in a single-bond geometry to one C(39,83) atom. In the thirteenth H site, H(17) is bonded in a single-bond geometry to one C(41) atom. In the fourteenth H site, H(18) is bonded in a single-bond geometry to one C(42) atom. In the fifteenth H site, H(19) is bonded in a single-bond geometry to one C(43) atom. In the sixteenth H site, H(20) is bonded in a single-bond geometry to one C(44) atom. In the seventeenth H site, H(21) is bonded in a single-bond geometry to one C(46) atom. In the eighteenth H site, H(22) is bonded in a single-bond geometry to one C(50) atom. In the nineteenth H site, H(23) is bonded in a single-bond geometry to one C(52) atom. In the twentieth H site, H(37) is bonded in a single-bond geometry to one N(7) atom. In the twenty-first H site, H(38) is bonded in a single-bond geometry to one N(5) atom. In the twenty-second H site, H(39) is bonded in a single-bond geometry to one N(6) atom. In the twenty-third H site, H(40) is bonded in a single-bond geometry to one N(8) atom. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Nd(1,5) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Nd(2,6) and one C(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nd(2,6) and one C(4) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Nd(3,7) and one C(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Nd(3,7) and one C(7) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Nd(4,8) and one C(7) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Nd(4,8) and one C(10) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Nd(1,5) and one C(10) atom. In the ninth O site, O(9,33) is bonded in a distorted L-shaped geometry to one Nd(1,5) and one C(13,57) atom. In the tenth O site, O(10,34) is bonded in a distorted single-bond geometry to one Nd(1,5); one Nd(2,6); and one C(13,57) atom. In the eleventh O site, O(11,35) is bonded in a 2-coordinate geometry to one Nd(3,7) and one C(19,63) atom. In the twelfth O site, O(12,36) is bonded in a distorted bent 150 degrees geometry to one Nd(2,6) and one C(19,63) atom. In the thirteenth O site, O(13,37) is bonded in a distorted bent 150 degrees geometry to one Nd(1,5) and one C(20,64) atom. In the fourteenth O site, O(14,38) is bonded in a distorted bent 120 degrees geometry to one Nd(2,6) and one C(20,64) atom. In the fifteenth O site, O(15,39) is bonded in a distorted single-bond geometry to one Nd(1,5); one Nd(4,8); and one C(26,70) atom. In the sixteenth O site, O(16,40) is bonded in a distorted single-bond geometry to one Nd(4,8) and one C(26,70) atom. In the seventeenth O site, O(17,41) is bonded in a distorted single-bond geometry to one Nd(2,6) and one C(27,71) atom. In the eighteenth O site, O(18,42) is bonded in a distorted single-bond geometry to one Nd(2,6); one Nd(3,7); and one C(27,71) atom. In the nineteenth O site, O(19,43) is bonded in a distorted bent 150 degrees geometry to one Nd(4,8) and one C(33,77) atom. In the twentieth O site, O(20,44) is bonded in a distorted bent 150 degrees geometry to one Nd(3,7) and one C(33,77) atom. In the twenty-first O site, O(21,45) is bonded in a distorted single-bond geometry to one Nd(3,7) and one C(34,78) atom. In the twenty-second O site, O(22,46) is bonded in a distorted single-bond geometry to one Nd(3,7); one Nd(4,8); and one C(34,78) atom. In the twenty-third O site, O(23,47) is bonded in a distorted bent 120 degrees geometry to one Nd(1,5) and one C(40,84) atom. In the twenty-fourth O site, O(24,48) is bonded in a distorted bent 150 degrees geometry to one Nd(4,8) and one C(40,84) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 120 degrees geometry to one Nd(1,5) and one C(45) atom. The O(25)-Nd(1,5) bond length is 2.58 Å. In the twenty-sixth O site, O(26) is bonded in a distorted single-bond geometry to one Nd(2,6) and one C(45) atom. The O(26)-Nd(2,6) bond length is 2.70 Å. In the twenty-seventh O site, O(27) is bonded in a bent 150 degrees geometry to one Nd(2,6) and one C(48) atom. The O(27)-Nd(2,6) bond length is 2.35 Å. In the twenty-eighth O site, O(28) is bonded in a distorted single-bond geometry to one Nd(3,7) and one C(48) atom. The O(28)-Nd(3,7) bond length is 2.50 Å. In the twenty-ninth O site, O(29) is bonded in a distorted bent 150 degrees geometry to one Nd(3,7) and one C(51) atom. The O(29)-Nd(3,7) bond length is 2.38 Å. In the thirtieth O site, O(30) is bonded in a distorted single-bond geometry to one Nd(4,8) and one C(51) atom. The O(30)-Nd(4,8) bond length is 2.48 Å. In the thirty-first O site, O(31) is bonded in a distorted bent 150 degrees geometry to one Nd(4,8) and one C(54) atom. The O(31)-Nd(4,8) bond length is 2.41 Å. In the thirty-second O site, O(32) is bonded in a distorted single-bond geometry to one Nd(1,5) and one C(54) atom. The O(32)-Nd(1,5) bond length is 2.47 Å. Linkers: 16 [O]C(=O)c1ccc(C([O])=O)nc1 ,5 [O]C(=O)[C]1C=CC(C([O])=O)=CN1 ,3 [O]C(=O)C1=CC=C(C([O])=O)N[CH]1. Metal clusters: 16 [Nd]. The MOF has largest included sphere 10.24 A, density 1.30 g/cm3, surface area 2774.72 m2/g, accessible volume 0.46 cm3/g