Pr2Cu5C42N7H32O16I4 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(3), one O(5), one O(7), and one O(8) atom. The Pr(1)-O(1) bond length is 2.50 Å. The Pr(1)-O(11) bond length is 2.43 Å. The Pr(1)-O(13) bond length is 2.52 Å. The Pr(1)-O(15) bond length is 2.42 Å. The Pr(1)-O(3) bond length is 2.38 Å. The Pr(1)-O(5) bond length is 2.57 Å. The Pr(1)-O(7) bond length is 2.50 Å. The Pr(1)-O(8) bond length is 2.57 Å. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(2), one O(4), one O(6), and one O(9) atom. The Pr(2)-O(10) bond length is 2.54 Å. The Pr(2)-O(12) bond length is 2.60 Å. The Pr(2)-O(14) bond length is 2.45 Å. The Pr(2)-O(16) bond length is 2.44 Å. The Pr(2)-O(2) bond length is 2.57 Å. The Pr(2)-O(4) bond length is 2.46 Å. The Pr(2)-O(6) bond length is 2.51 Å. The Pr(2)-O(9) bond length is 2.48 Å. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted bent 120 degrees geometry to one N(5), one N(6), one I(1), and one I(2) atom. The Cu(1)-N(5) bond length is 1.98 Å. The Cu(1)-N(6) bond length is 1.98 Å. The Cu(1)-I(1) bond length is 2.79 Å. The Cu(1)-I(2) bond length is 2.76 Å. In the second Cu site, Cu(2) is bonded in a 1-coordinate geometry to one N(4), one I(1), one I(2), and one I(3) atom. The Cu(2)-N(4) bond length is 2.01 Å. The Cu(2)-I(1) bond length is 2.64 Å. The Cu(2)-I(2) bond length is 2.60 Å. The Cu(2)-I(3) bond length is 2.93 Å. In the third Cu site, Cu(3) is bonded in a distorted water-like geometry to one N(2), one N(7), one I(1), and one I(3) atom. The Cu(3)-N(2) bond length is 1.98 Å. The Cu(3)-N(7) bond length is 2.01 Å. The Cu(3)-I(1) bond length is 2.68 Å. The Cu(3)-I(3) bond length is 2.74 Å. In the fourth Cu site, Cu(4) is bonded in a distorted bent 150 degrees geometry to one I(1), one I(3), and one I(4) atom. The Cu(4)-I(1) bond length is 3.14 Å. The Cu(4)-I(3) bond length is 2.52 Å. The Cu(4)-I(4) bond length is 2.46 Å. In the fifth Cu site, Cu(5) is bonded in a distorted bent 120 degrees geometry to one N(1), one N(3), and one I(4) atom. The Cu(5)-N(1) bond length is 1.97 Å. The Cu(5)-N(3) bond length is 1.96 Å. The Cu(5)-I(4) bond length is 2.67 Å. There are forty-two 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 1.51 Å. The C(1)-O(1) bond length is 1.28 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(6) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(6) bond length is 1.40 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 1.39 Å. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one H(2) atom. The C(4)-N(1) bond length is 1.35 Å. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(6), one N(1), and one H(3) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(3) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(2), one C(5), and one H(4) atom. The C(6)-H(4) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted bent 120 degrees geometry to one C(8), one O(3), and one O(4) atom. The C(7)-C(8) bond length is 1.50 Å. The C(7)-O(3) bond length is 1.26 Å. The C(7)-O(4) bond length is 1.27 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(12), one C(7), and one C(9) atom. The C(8)-C(12) bond length is 1.40 Å. The C(8)-C(9) bond length is 1.40 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(8) and one H(5) atom. The C(9)-H(5) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(6) atom. The C(10)-N(2) bond length is 1.35 Å. The C(10)-H(6) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(7) atom. The C(11)-N(2) bond length is 1.35 Å. The C(11)-H(7) bond length is 1.09 Å. In the twelfth C site, C(12) is bonded in a distorted single-bond geometry to one C(8) and one H(8) atom. The C(12)-H(8) bond length is 1.09 Å. In the thirteenth C site, C(13) is bonded in a bent 120 degrees geometry to one C(14), one O(5), and one O(6) atom. The C(13)-C(14) bond length is 1.51 Å. The C(13)-O(5) bond length is 1.26 Å. The C(13)-O(6) bond length is 1.28 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(18) atom. The C(14)-C(15) bond length is 1.40 Å. The C(14)-C(18) bond length is 1.40 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(14), one C(16), and one H(9) atom. The C(15)-C(16) bond length is 1.39 Å. The C(15)-H(9) bond length is 1.09 Å. In the sixteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(15), one N(3), and one H(10) atom. The C(16)-N(3) bond length is 1.36 Å. The C(16)-H(10) bond length is 1.09 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(18), one N(3), and one H(11) atom. The C(17)-C(18) bond length is 1.39 Å. The C(17)-N(3) bond length is 1.35 Å. The C(17)-H(11) bond length is 1.09 Å. In the eighteenth C site, C(18) is bonded in a distorted single-bond geometry to one C(14), one C(17), and one H(12) atom. The C(18)-H(12) bond length is 1.09 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(20), one O(8), and one O(9) atom. The C(19)-C(20) bond length is 1.50 Å. The C(19)-O(8) bond length is 1.27 Å. The C(19)-O(9) bond length is 1.27 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(24) atom. The C(20)-C(21) bond length is 1.40 Å. The C(20)-C(24) bond length is 1.40 Å. In the twenty-first C site, C(21) is bonded in a distorted trigonal planar geometry to one C(20), one C(22), and one H(13) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-H(13) bond length is 1.09 Å. In the twenty-second C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(21), one N(4), and one H(14) atom. The C(22)-N(4) bond length is 1.35 Å. The C(22)-H(14) bond length is 1.09 Å. In the twenty-third C site, C(23) is bonded in a distorted trigonal planar geometry to one C(24), one N(4), and one H(15) atom. The C(23)-C(24) bond length is 1.39 Å. The C(23)-N(4) bond length is 1.35 Å. The C(23)-H(15) bond length is 1.09 Å. In the twenty-fourth C site, C(24) is bonded in a distorted single-bond geometry to one C(20), one C(23), and one H(16) atom. The C(24)-H(16) bond length is 1.09 Å. In the twenty-fifth C site, C(25) is bonded in a bent 120 degrees geometry to one C(26), one O(11), and one O(12) atom. The C(25)-C(26) bond length is 1.50 Å. The C(25)-O(11) bond length is 1.27 Å. The C(25)-O(12) bond length is 1.27 Å. In the twenty-sixth C site, C(26) is bonded in a trigonal planar geometry to one C(25), one C(27), and one C(30) atom. The C(26)-C(27) bond length is 1.40 Å. The C(26)-C(30) bond length is 1.40 Å. In the twenty-seventh C site, C(27) is bonded in a distorted single-bond geometry to one C(26) and one H(17) atom. The C(27)-H(17) bond length is 1.09 Å. In the twenty-eighth C site, C(28) is bonded in a distorted trigonal planar geometry to one N(5) and one H(18) atom. The C(28)-N(5) bond length is 1.35 Å. The C(28)-H(18) bond length is 1.09 Å. In the twenty-ninth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(30), one N(5), and one H(19) atom. The C(29)-C(30) bond length is 1.39 Å. The C(29)-N(5) bond length is 1.35 Å. The C(29)-H(19) bond length is 1.09 Å. In the thirtieth C site, C(30) is bonded in a distorted single-bond geometry to one C(26), one C(29), and one H(20) atom. The C(30)-H(20) bond length is 1.09 Å. In the thirty-first C site, C(31) is bonded in a bent 120 degrees geometry to one C(32), one O(13), and one O(14) atom. The C(31)-C(32) bond length is 1.50 Å. The C(31)-O(13) bond length is 1.27 Å. The C(31)-O(14) bond length is 1.27 Å. In the thirty-second C site, C(32) is bonded in a trigonal planar geometry to one C(31), one C(33), and one C(36) atom. The C(32)-C(33) bond length is 1.40 Å. The C(32)-C(36) 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(32), one C(34), and one H(21) atom. The C(33)-C(34) bond length is 1.39 Å. The C(33)-H(21) bond length is 1.09 Å. In the thirty-fourth C site, C(34) is bonded in a distorted trigonal planar geometry to one C(33), one N(6), and one H(22) atom. The C(34)-N(6) bond length is 1.35 Å. The C(34)-H(22) bond length is 1.09 Å. In the thirty-fifth C site, C(35) is bonded in a distorted trigonal planar geometry to one C(36), one N(6), and one H(23) atom. The C(35)-C(36) bond length is 1.39 Å. The C(35)-N(6) bond length is 1.35 Å. The C(35)-H(23) bond length is 1.09 Å. In the thirty-sixth C site, C(36) is bonded in a distorted single-bond geometry to one C(32), one C(35), and one H(24) atom. The C(36)-H(24) bond length is 1.09 Å. In the thirty-seventh C site, C(37) is bonded in a distorted bent 120 degrees geometry to one C(38), one O(15), and one O(16) atom. The C(37)-C(38) bond length is 1.50 Å. The C(37)-O(15) bond length is 1.27 Å. The C(37)-O(16) bond length is 1.27 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(42) atom. The C(38)-C(39) bond length is 1.40 Å. The C(38)-C(42) bond length is 1.40 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(25) atom. The C(39)-C(40) bond length is 1.39 Å. The C(39)-H(25) bond length is 1.09 Å. In the fortieth C site, C(40) is bonded in a distorted bent 120 degrees geometry to one C(39), one N(7), and one H(26) atom. The C(40)-N(7) bond length is 1.35 Å. The C(40)-H(26) bond length is 1.09 Å. In the forty-first C site, C(41) is bonded in a distorted trigonal planar geometry to one C(42), one N(7), and one H(27) atom. The C(41)-C(42) bond length is 1.39 Å. The C(41)-N(7) bond length is 1.35 Å. The C(41)-H(27) bond length is 1.09 Å. In the forty-second C site, C(42) is bonded in a distorted single-bond geometry to one C(38), one C(41), and one H(28) atom. The C(42)-H(28) bond length is 1.09 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(5), one C(4), and one C(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(3), one C(10), and one C(11) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(5), one C(16), and one C(17) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(2), one C(22), and one C(23) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(1), one C(28), and one C(29) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cu(1), one C(34), and one C(35) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Cu(3), one C(40), and one C(41) atom. There are thirty-two 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(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(11) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(15) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(16) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(17) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(18) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(21) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(22) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(23) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(24) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(27) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(28) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(29) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(30) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(33) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(34) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(35) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one C(36) atom. In the twenty-fifth H site, H(25) is bonded in a single-bond geometry to one C(39) atom. In the twenty-sixth H site, H(26) is bonded in a single-bond geometry to one C(40) atom. In the twenty-seventh H site, H(27) is bonded in a single-bond geometry to one C(41) atom. In the twenty-eighth H site, H(28) is bonded in a single-bond geometry to one C(42) atom. In the twenty-ninth H site, H(29) is bonded in a single-bond geometry to one O(7) atom. The H(29)-O(7) bond length is 0.99 Å. In the thirtieth H site, H(30) is bonded in a single-bond geometry to one O(7) atom. The H(30)-O(7) bond length is 0.99 Å. In the thirty-first H site, H(31) is bonded in a single-bond geometry to one O(10) atom. The H(31)-O(10) bond length is 0.98 Å. In the thirty-second H site, H(32) is bonded in a single-bond geometry to one O(10) atom. The H(32)-O(10) bond length is 0.98 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Pr(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pr(2) and one C(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Pr(1) and one C(7) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Pr(2) and one C(7) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Pr(1) and one C(13) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Pr(2) and one C(13) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Pr(1), one H(29), and one H(30) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Pr(1) and one C(19) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Pr(2) and one C(19) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Pr(2), one H(31), and one H(32) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Pr(1) and one C(25) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Pr(2) and one C(25) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Pr(1) and one C(31) atom. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to one Pr(2) and one C(31) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Pr(1) and one C(37) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Pr(2) and one C(37) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(2), one Cu(3), and one Cu(4) atom. In the second I site, I(2) is bonded in a 2-coordinate geometry to one Cu(1) and one Cu(2) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one Cu(4) atom. In the fourth I site, I(4) is bonded in a 2-coordinate geometry to one Cu(4) and one Cu(5) atom. Linkers: 27 [O]C(=O)c1ccncc1. Metal clusters: 8 [Pr] ,5 [Cu] ,3 [Cu][Cu]1(I)(I)[Cu][Cu]1([Cu])(I)I. The MOF has largest included sphere 5.56 A, density 2.25 g/cm3, surface area 2799.93 m2/g, accessible volume 0.15 cm3/g