Yb2Cu3C42H38(N3O17)2 crystallizes in the monoclinic Pc space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 8-coordinate geometry to one O(13), one O(24), one O(25), one O(27), one O(29), one O(3), one O(31), and one O(33) atom. The Yb(1)-O(13) bond length is 2.20 Å. The Yb(1)-O(24) bond length is 2.28 Å. The Yb(1)-O(25) bond length is 2.39 Å. The Yb(1)-O(27) bond length is 2.30 Å. The Yb(1)-O(29) bond length is 2.31 Å. The Yb(1)-O(3) bond length is 2.29 Å. The Yb(1)-O(31) bond length is 2.36 Å. The Yb(1)-O(33) bond length is 2.43 Å. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry to one O(14), one O(23), one O(26), one O(28), one O(30), one O(32), one O(34), and one O(4) atom. The Yb(2)-O(14) bond length is 2.20 Å. The Yb(2)-O(23) bond length is 2.28 Å. The Yb(2)-O(26) bond length is 2.39 Å. The Yb(2)-O(28) bond length is 2.30 Å. The Yb(2)-O(30) bond length is 2.31 Å. The Yb(2)-O(32) bond length is 2.35 Å. The Yb(2)-O(34) bond length is 2.43 Å. The Yb(2)-O(4) bond length is 2.29 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1,2) is bonded in a 5-coordinate geometry to one N(1,2); one N(3,4); one O(2); one O(7,8); and one O(9) atom. The Cu(1,2)-N(1,2) bond length is 1.97 Å. The Cu(1,2)-N(3,4) bond length is 1.96 Å. The Cu(1,2)-O(2) bond length is 2.00 Å. The Cu(1,2)-O(7,8) bond length is 2.49 Å. The Cu(1,2)-O(9) bond length is 2.00 Å. In the second Cu site, Cu(3) is bonded in a distorted square co-planar geometry to two equivalent N(5,6); two equivalent O(15,16); and two equivalent O(17,18) atoms. Both Cu(3)-N(5,6) bond lengths are 1.96 Å. Both Cu(3)-O(15,16) bond lengths are 2.62 Å. Both Cu(3)-O(17,18) bond lengths are 1.97 Å. There are twenty-four inequivalent C sites. In the first C site, C(1,2) is bonded in a distorted bent 120 degrees geometry to one C(3,4); one O(1); and one O(3) atom. The C(1,2)-C(3,4) bond length is 1.50 Å. The C(1,2)-O(1) bond length is 1.30 Å. The C(1,2)-O(3) bond length is 1.25 Å. In the second C site, C(3,4) is bonded in a distorted trigonal planar geometry to one C(1,2); one C(5,6); and one N(1,2) atom. The C(3,4)-C(5,6) bond length is 1.40 Å. The C(3,4)-N(1,2) bond length is 1.36 Å. In the third C site, C(5,6) is bonded in a trigonal planar geometry to one C(3,4); one C(7,8); and one C(9,10) atom. The C(5,6)-C(7,8) bond length is 1.53 Å. The C(5,6)-C(9,10) bond length is 1.41 Å. In the fourth C site, C(7,8) is bonded in a distorted bent 120 degrees geometry to one C(5,6); one O(5,6); and one O(7,8) atom. The C(7,8)-O(5,6) bond length is 1.27 Å. The C(7,8)-O(7,8) bond length is 1.26 Å. In the fifth C site, C(9,10) is bonded in a distorted single-bond geometry to one C(11,12); one C(5,6); and one H(21,22) atom. The C(9,10)-C(11,12) bond length is 1.39 Å. The C(9,10)-H(21,22) bond length is 1.09 Å. In the sixth C site, C(11,12) is bonded in a distorted trigonal planar geometry to one C(13,14); one C(9,10); and one H(23,24) atom. The C(11,12)-C(13,14) bond length is 1.40 Å. The C(11,12)-H(23,24) bond length is 1.09 Å. In the seventh C site, C(13,14) is bonded in a distorted bent 120 degrees geometry to one C(11,12); one N(1,2); and one H(25,26) atom. The C(13,14)-N(1,2) bond length is 1.34 Å. The C(13,14)-H(25,26) bond length is 1.09 Å. In the eighth C site, C(15,16) is bonded in a distorted bent 120 degrees geometry to one C(17), one O(11), and one O(9) atom. The C(15,16)-C(17) bond length is 1.50 Å. The C(15,16)-O(11) bond length is 1.25 Å. The C(15,16)-O(9) bond length is 1.30 Å. In the ninth C site, C(17) is bonded in a distorted single-bond geometry to one C(15,16); one C(19,20); and one N(3,4) atom. The C(17)-C(19,20) bond length is 1.40 Å. The C(17)-N(3,4) bond length is 1.35 Å. In the tenth C site, C(18) is bonded in a distorted single-bond geometry to one C(15,16); one C(19,20); and one N(3,4) atom. The C(18)-C(15,16) bond length is 1.50 Å. The C(18)-C(19,20) bond length is 1.40 Å. The C(18)-N(3,4) bond length is 1.35 Å. In the eleventh C site, C(19,20) is bonded in a trigonal planar geometry to one C(17); one C(21,22); and one C(23,24) atom. The C(19,20)-C(21,22) bond length is 1.52 Å. The C(19,20)-C(23,24) bond length is 1.40 Å. In the twelfth C site, C(21,22) is bonded in a distorted bent 120 degrees geometry to one C(19,20); one O(13); and one O(15,16) atom. The C(21,22)-O(13) bond length is 1.28 Å. The C(21,22)-O(15,16) bond length is 1.25 Å. In the thirteenth C site, C(23,24) is bonded in a distorted single-bond geometry to one C(19,20); one C(25,26); and one H(27,28) atom. The C(23,24)-C(25,26) bond length is 1.39 Å. The C(23,24)-H(27,28) bond length is 1.09 Å. In the fourteenth C site, C(25,26) is bonded in a distorted trigonal planar geometry to one C(23,24); one C(27,28); and one H(29,30) atom. The C(25,26)-C(27,28) bond length is 1.39 Å. The C(25,26)-H(29,30) bond length is 1.09 Å. In the fifteenth C site, C(27,28) is bonded in a distorted trigonal planar geometry to one C(25,26); one N(3,4); and one H(31,32) atom. The C(27,28)-N(3,4) bond length is 1.33 Å. The C(27,28)-H(31,32) bond length is 1.09 Å. In the sixteenth C site, C(29,30) is bonded in a distorted bent 120 degrees geometry to one C(31,32); one O(17,18); and one O(19,20) atom. The C(29,30)-C(31,32) bond length is 1.51 Å. The C(29,30)-O(17,18) bond length is 1.28 Å. The C(29,30)-O(19,20) bond length is 1.25 Å. In the seventeenth C site, C(31,32) is bonded in a distorted trigonal planar geometry to one C(29,30); one C(33); and one N(5,6) atom. The C(31,32)-C(33) bond length is 1.40 Å. The C(31,32)-N(5,6) bond length is 1.35 Å. In the eighteenth C site, C(33) is bonded in a trigonal planar geometry to one C(31,32); one C(35); and one C(37,38) atom. The C(33)-C(35) bond length is 1.51 Å. The C(33)-C(37,38) bond length is 1.40 Å. In the nineteenth C site, C(34) is bonded in a trigonal planar geometry to one C(31,32); one C(36); and one C(37,38) atom. The C(34)-C(31,32) bond length is 1.40 Å. The C(34)-C(36) bond length is 1.51 Å. The C(34)-C(37,38) bond length is 1.40 Å. In the twentieth C site, C(35) is bonded in a distorted bent 120 degrees geometry to one C(33), one O(21), and one O(23) atom. The C(35)-O(21) bond length is 1.27 Å. The C(35)-O(23) bond length is 1.27 Å. In the twenty-first C site, C(36) is bonded in a distorted bent 120 degrees geometry to one C(34), one O(22), and one O(24) atom. The C(36)-O(22) bond length is 1.27 Å. The C(36)-O(24) bond length is 1.27 Å. In the twenty-second C site, C(37,38) is bonded in a distorted single-bond geometry to one C(33) and one H(33,34) atom. The C(37,38)-H(33,34) bond length is 1.09 Å. In the twenty-third C site, C(39,40) is bonded in a distorted single-bond geometry to one C(41,42) and one H(35,36) atom. The C(39,40)-C(41,42) bond length is 1.39 Å. The C(39,40)-H(35,36) bond length is 1.09 Å. In the twenty-fourth C site, C(41,42) is bonded in a distorted trigonal planar geometry to one C(39,40); one N(5,6); and one H(37,38) atom. The C(41,42)-N(5,6) bond length is 1.34 Å. The C(41,42)-H(37,38) bond length is 1.09 Å. There are three inequivalent N sites. In the first N site, N(1,2) is bonded in a trigonal planar geometry to one Cu(1,2); one C(13,14); and one C(3,4) atom. In the second N site, N(3,4) is bonded in a trigonal planar geometry to one Cu(1,2); one C(17); and one C(27,28) atom. In the third N site, N(5,6) is bonded in a trigonal planar geometry to one Cu(3); one C(31,32); and one C(41,42) atom. There are twenty-three inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one O(25) atom. The H(1,2)-O(25) bond length is 0.98 Å. In the second H site, H(3,4) is bonded in a distorted single-bond geometry to one O(11) and one O(25) atom. The H(3,4)-O(11) bond length is 1.65 Å. The H(3,4)-O(25) bond length is 1.00 Å. In the third H site, H(5,6) is bonded in a distorted single-bond geometry to one O(19,20) and one O(27) atom. The H(5,6)-O(19,20) bond length is 1.58 Å. The H(5,6)-O(27) bond length is 1.00 Å. In the fourth H site, H(7,8) is bonded in a distorted single-bond geometry to one O(27) and one O(5,6) atom. The H(7,8)-O(27) bond length is 1.02 Å. The H(7,8)-O(5,6) bond length is 1.59 Å. In the fifth H site, H(9,10) is bonded in a single-bond geometry to one O(10) and one O(29) atom. The H(9,10)-O(10) bond length is 1.70 Å. The H(9,10)-O(29) bond length is 1.00 Å. In the sixth H site, H(11,12) is bonded in a single-bond geometry to one O(29) atom. The H(11,12)-O(29) bond length is 0.97 Å. In the seventh H site, H(13) is bonded in a distorted linear geometry to one O(22) and one O(31) atom. The H(13)-O(22) bond length is 1.57 Å. The H(13)-O(31) bond length is 1.03 Å. In the eighth H site, H(14) is bonded in a distorted linear geometry to one O(21) and one O(32) atom. The H(14)-O(21) bond length is 1.57 Å. The H(14)-O(32) bond length is 1.03 Å. In the ninth H site, H(15) is bonded in a single-bond geometry to one O(31) atom. The H(15)-O(31) bond length is 0.97 Å. In the tenth H site, H(16) is bonded in a single-bond geometry to one O(32) atom. The H(16)-O(32) bond length is 0.97 Å. In the eleventh H site, H(17) is bonded in a single-bond geometry to one O(1) and one O(33) atom. The H(17)-O(1) bond length is 1.71 Å. The H(17)-O(33) bond length is 1.00 Å. In the twelfth H site, H(18) is bonded in a single-bond geometry to one O(2) and one O(34) atom. The H(18)-O(2) bond length is 1.71 Å. The H(18)-O(34) bond length is 1.00 Å. In the thirteenth H site, H(19) is bonded in a single-bond geometry to one O(33) atom. The H(19)-O(33) bond length is 0.97 Å. In the fourteenth H site, H(20) is bonded in a single-bond geometry to one O(34) atom. The H(20)-O(34) bond length is 0.97 Å. In the fifteenth H site, H(21,22) is bonded in a single-bond geometry to one C(9,10) atom. In the sixteenth H site, H(23,24) is bonded in a single-bond geometry to one C(11,12) atom. In the seventeenth H site, H(25,26) is bonded in a single-bond geometry to one C(13,14) atom. In the eighteenth H site, H(27,28) is bonded in a single-bond geometry to one C(23,24) atom. In the nineteenth H site, H(29,30) is bonded in a single-bond geometry to one C(25,26) atom. In the twentieth H site, H(31,32) is bonded in a single-bond geometry to one C(27,28) atom. In the twenty-first H site, H(33,34) is bonded in a single-bond geometry to one C(37,38) atom. In the twenty-second H site, H(35,36) is bonded in a single-bond geometry to one C(39,40) atom. In the twenty-third H site, H(37,38) is bonded in a single-bond geometry to one C(41,42) atom. There are twenty-nine inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cu(1,2); one C(1,2); and one H(17) atom. The O(1)-Cu(1,2) bond length is 2.00 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(1,2); one C(1,2); and one H(18) atom. The O(2)-C(1,2) bond length is 1.30 Å. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Yb(1) and one C(1,2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Yb(2) and one C(1,2) atom. The O(4)-C(1,2) bond length is 1.25 Å. In the fifth O site, O(5,6) is bonded in a distorted water-like geometry to one C(7,8) and one H(7,8) atom. In the sixth O site, O(7,8) is bonded in a distorted single-bond geometry to one Cu(1,2) and one C(7,8) atom. In the seventh O site, O(9) is bonded in a 3-coordinate geometry to one Cu(1,2); one C(15,16); and one H(9,10) atom. The O(9)-H(9,10) bond length is 1.70 Å. In the eighth O site, O(10) is bonded in a 3-coordinate geometry to one Cu(1,2); one C(15,16); and one H(9,10) atom. The O(10)-Cu(1,2) bond length is 2.00 Å. The O(10)-C(15,16) bond length is 1.30 Å. In the ninth O site, O(11) is bonded in a distorted bent 120 degrees geometry to one C(15,16) and one H(3,4) atom. In the tenth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one C(15,16) and one H(3,4) atom. The O(12)-C(15,16) bond length is 1.25 Å. The O(12)-H(3,4) bond length is 1.65 Å. In the eleventh O site, O(13) is bonded in a distorted linear geometry to one Yb(1) and one C(21,22) atom. In the twelfth O site, O(14) is bonded in a distorted linear geometry to one Yb(2) and one C(21,22) atom. The O(14)-C(21,22) bond length is 1.28 Å. In the thirteenth O site, O(15,16) is bonded in a single-bond geometry to one Cu(3) and one C(21,22) atom. In the fourteenth O site, O(17,18) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(29,30) atom. In the fifteenth O site, O(19,20) is bonded in a 2-coordinate geometry to one C(29,30) and one H(5,6) atom. In the sixteenth O site, O(21) is bonded in a distorted water-like geometry to one C(35) and one H(14) atom. In the seventeenth O site, O(22) is bonded in a distorted water-like geometry to one C(36) and one H(13) atom. In the eighteenth O site, O(23) is bonded in a distorted bent 150 degrees geometry to one Yb(2) and one C(35) atom. In the nineteenth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one Yb(1) and one C(36) atom. In the twentieth O site, O(25) is bonded in a water-like geometry to one Yb(1); one H(1,2); and one H(3,4) atom. In the twenty-first O site, O(26) is bonded in a water-like geometry to one Yb(2); one H(1,2); and one H(3,4) atom. The O(26)-H(1,2) bond length is 0.98 Å. The O(26)-H(3,4) bond length is 1.00 Å. In the twenty-second O site, O(27) is bonded in a distorted water-like geometry to one Yb(1); one H(5,6); and one H(7,8) atom. In the twenty-third O site, O(28) is bonded in a distorted water-like geometry to one Yb(2); one H(5,6); and one H(7,8) atom. The O(28)-H(5,6) bond length is 1.00 Å. The O(28)-H(7,8) bond length is 1.02 Å. In the twenty-fourth O site, O(29) is bonded in a distorted water-like geometry to one Yb(1); one H(11,12); and one H(9,10) atom. In the twenty-fifth O site, O(30) is bonded in a distorted water-like geometry to one Yb(2); one H(11,12); and one H(9,10) atom. The O(30)-H(11,12) bond length is 0.97 Å. The O(30)-H(9,10) bond length is 1.00 Å. In the twenty-sixth O site, O(31) is bonded in a distorted water-like geometry to one Yb(1), one H(13), and one H(15) atom. In the twenty-seventh O site, O(32) is bonded in a distorted water-like geometry to one Yb(2), one H(14), and one H(16) atom. In the twenty-eighth O site, O(33) is bonded in a distorted water-like geometry to one Yb(1), one H(17), and one H(19) atom. In the twenty-ninth O site, O(34) is bonded in a distorted water-like geometry to one Yb(2), one H(18), and one H(20) atom. Linkers: 8 [O]C(=O)c1cccnc1C([O])=O. Metal clusters: 4 [Yb] ,6 [Cu]. The MOF has largest included sphere 4.06 A, density 2.01 g/cm3, surface area 3024.61 m2/g, accessible volume 0.14 cm3/g