DyCd2C20N6H17(O6Cl)2H2O crystallizes in the triclinic P1 space group. The structure consists of two water molecules inside a DyCd2C20N6H17(O6Cl)2 framework. In the DyCd2C20N6H17(O6Cl)2 framework, there are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a distorted pentagonal bipyramidal geometry to one O(1), one O(13), one O(17), one O(19), one O(21), one O(25), and one O(3) atom. The Dy(1)-O(1) bond length is 2.25 Å. The Dy(1)-O(13) bond length is 2.29 Å. The Dy(1)-O(17) bond length is 2.34 Å. The Dy(1)-O(19) bond length is 2.24 Å. The Dy(1)-O(21) bond length is 2.39 Å. The Dy(1)-O(25) bond length is 2.42 Å. The Dy(1)-O(3) bond length is 2.26 Å. In the second Dy site, Dy(2) is bonded in a distorted pentagonal bipyramidal geometry to one O(14), one O(18), one O(2), one O(20), one O(22), one O(26), and one O(4) atom. The Dy(2)-O(14) bond length is 2.29 Å. The Dy(2)-O(18) bond length is 2.34 Å. The Dy(2)-O(2) bond length is 2.25 Å. The Dy(2)-O(20) bond length is 2.24 Å. The Dy(2)-O(22) bond length is 2.39 Å. The Dy(2)-O(26) bond length is 2.42 Å. The Dy(2)-O(4) bond length is 2.26 Å. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one N(1), one N(11), one O(23), one O(5), one Cl(3), and one Cl(4) atom to form distorted corner-sharing CdN2Cl2O2 octahedra. The corner-sharing octahedral tilt angles are 42°. The Cd(1)-N(1) bond length is 2.34 Å. The Cd(1)-N(11) bond length is 2.48 Å. The Cd(1)-O(23) bond length is 2.41 Å. The Cd(1)-O(5) bond length is 2.44 Å. The Cd(1)-Cl(3) bond length is 2.52 Å. The Cd(1)-Cl(4) bond length is 2.60 Å. In the second Cd site, Cd(2) is bonded to one N(12), one N(2), one O(24), one O(6), one Cl(3), and one Cl(4) atom to form distorted corner-sharing CdN2Cl2O2 octahedra. The corner-sharing octahedral tilt angles are 42°. The Cd(2)-N(12) bond length is 2.49 Å. The Cd(2)-N(2) bond length is 2.34 Å. The Cd(2)-O(24) bond length is 2.41 Å. The Cd(2)-O(6) bond length is 2.45 Å. The Cd(2)-Cl(3) bond length is 2.59 Å. The Cd(2)-Cl(4) bond length is 2.52 Å. In the third Cd site, Cd(3) is bonded in a distorted trigonal bipyramidal geometry to one N(4), one O(10), one O(15), one O(7), and one Cl(1) atom. The Cd(3)-N(4) bond length is 2.23 Å. The Cd(3)-O(10) bond length is 2.46 Å. The Cd(3)-O(15) bond length is 2.25 Å. The Cd(3)-O(7) bond length is 2.40 Å. The Cd(3)-Cl(1) bond length is 2.47 Å. In the fourth Cd site, Cd(4) is bonded in a distorted trigonal bipyramidal geometry to one N(3), one O(16), one O(8), one O(9), and one Cl(2) atom. The Cd(4)-N(3) bond length is 2.23 Å. The Cd(4)-O(16) bond length is 2.25 Å. The Cd(4)-O(8) bond length is 2.41 Å. The Cd(4)-O(9) bond length is 2.47 Å. The Cd(4)-Cl(2) bond length is 2.47 Å. There are forty inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one C(21), one C(5), and one N(11) atom. The C(1)-C(21) bond length is 1.50 Å. The C(1)-C(5) bond length is 1.40 Å. The C(1)-N(11) bond length is 1.37 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(22), one C(6), and one N(12) atom. The C(2)-C(22) bond length is 1.50 Å. The C(2)-C(6) bond length is 1.40 Å. The C(2)-N(12) bond length is 1.37 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(19), one C(9), and one N(1) atom. The C(3)-C(19) bond length is 1.49 Å. The C(3)-C(9) bond length is 1.41 Å. The C(3)-N(1) bond length is 1.37 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(10), one C(20), and one N(2) atom. The C(4)-C(10) bond length is 1.41 Å. The C(4)-C(20) bond length is 1.49 Å. The C(4)-N(2) bond length is 1.37 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(1), one C(39), and one N(9) atom. The C(5)-C(39) bond length is 1.48 Å. The C(5)-N(9) bond length is 1.38 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(2), one C(40), and one N(10) atom. The C(6)-C(40) bond length is 1.48 Å. The C(6)-N(10) bond length is 1.38 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(37), one N(5), and one H(1) atom. The C(7)-C(37) bond length is 1.38 Å. The C(7)-N(5) bond length is 1.34 Å. The C(7)-H(1) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(38), one N(6), and one H(2) atom. The C(8)-C(38) bond length is 1.38 Å. The C(8)-N(6) bond length is 1.34 Å. The C(8)-H(2) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(17), one C(3), and one N(3) atom. The C(9)-C(17) bond length is 1.47 Å. The C(9)-N(3) bond length is 1.37 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(18), one C(4), and one N(4) atom. The C(10)-C(18) bond length is 1.47 Å. The C(10)-N(4) bond length is 1.37 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(27), one N(11), and one N(9) atom. The C(11)-C(27) bond length is 1.46 Å. The C(11)-N(11) bond length is 1.34 Å. The C(11)-N(9) bond length is 1.36 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal planar geometry to one C(28), one N(10), and one N(12) atom. The C(12)-C(28) bond length is 1.46 Å. The C(12)-N(10) bond length is 1.36 Å. The C(12)-N(12) bond length is 1.34 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(33), one N(7), and one H(3) atom. The C(13)-C(33) bond length is 1.38 Å. The C(13)-N(7) bond length is 1.34 Å. The C(13)-H(3) bond length is 1.09 Å. In the fourteenth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(34), one N(8), and one H(4) atom. The C(14)-C(34) bond length is 1.39 Å. The C(14)-N(8) bond length is 1.35 Å. The C(14)-H(4) bond length is 1.09 Å. In the fifteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(25), one N(1), and one N(3) atom. The C(15)-C(25) bond length is 1.45 Å. The C(15)-N(1) bond length is 1.35 Å. The C(15)-N(3) bond length is 1.35 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(26), one N(2), and one N(4) atom. The C(16)-C(26) bond length is 1.45 Å. The C(16)-N(2) bond length is 1.35 Å. The C(16)-N(4) bond length is 1.35 Å. In the seventeenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(9), one O(19), and one O(9) atom. The C(17)-O(19) bond length is 1.27 Å. The C(17)-O(9) bond length is 1.28 Å. In the eighteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one C(10), one O(10), and one O(20) atom. The C(18)-O(10) bond length is 1.28 Å. The C(18)-O(20) bond length is 1.27 Å. In the nineteenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(3), and one O(5) atom. The C(19)-O(3) bond length is 1.29 Å. The C(19)-O(5) bond length is 1.26 Å. In the twentieth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(4), one O(4), and one O(6) atom. The C(20)-O(4) bond length is 1.29 Å. The C(20)-O(6) bond length is 1.26 Å. In the twenty-first C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(1), one O(1), and one O(23) atom. The C(21)-O(1) bond length is 1.28 Å. The C(21)-O(23) bond length is 1.26 Å. In the twenty-second C site, C(22) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(2), and one O(24) atom. The C(22)-O(2) bond length is 1.28 Å. The C(22)-O(24) bond length is 1.26 Å. In the twenty-third C site, C(23) is bonded in a distorted trigonal planar geometry to one C(31), one N(5), and one H(5) atom. The C(23)-C(31) bond length is 1.39 Å. The C(23)-N(5) bond length is 1.35 Å. The C(23)-H(5) bond length is 1.09 Å. In the twenty-fourth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(32), one N(6), and one H(6) atom. The C(24)-C(32) bond length is 1.39 Å. The C(24)-N(6) bond length is 1.35 Å. The C(24)-H(6) bond length is 1.09 Å. In the twenty-fifth C site, C(25) is bonded in a trigonal planar geometry to one C(15), one C(33), and one C(35) atom. The C(25)-C(33) bond length is 1.40 Å. The C(25)-C(35) bond length is 1.40 Å. In the twenty-sixth C site, C(26) is bonded in a trigonal planar geometry to one C(16), one C(34), and one C(36) atom. The C(26)-C(34) bond length is 1.40 Å. The C(26)-C(36) bond length is 1.40 Å. In the twenty-seventh C site, C(27) is bonded in a trigonal planar geometry to one C(11), one C(31), and one C(37) atom. The C(27)-C(31) bond length is 1.40 Å. The C(27)-C(37) bond length is 1.40 Å. In the twenty-eighth C site, C(28) is bonded in a trigonal planar geometry to one C(12), one C(32), and one C(38) atom. The C(28)-C(32) bond length is 1.40 Å. The C(28)-C(38) bond length is 1.40 Å. In the twenty-ninth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(35), one N(7), and one H(7) atom. The C(29)-C(35) bond length is 1.39 Å. The C(29)-N(7) bond length is 1.35 Å. The C(29)-H(7) bond length is 1.09 Å. In the thirtieth C site, C(30) is bonded in a distorted trigonal planar geometry to one C(36), one N(8), and one H(8) atom. The C(30)-C(36) bond length is 1.39 Å. The C(30)-N(8) bond length is 1.35 Å. The C(30)-H(8) bond length is 1.09 Å. In the thirty-first C site, C(31) is bonded in a distorted single-bond geometry to one C(23), one C(27), and one H(13) atom. The C(31)-H(13) bond length is 1.09 Å. In the thirty-second C site, C(32) is bonded in a distorted single-bond geometry to one C(24), one C(28), and one H(14) atom. The C(32)-H(14) bond length is 1.09 Å. In the thirty-third C site, C(33) is bonded in a distorted single-bond geometry to one C(13); one C(25); and one H(15,16) atom. The C(33)-H(15,16) 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(14); one C(26); and one H(15,16) atom. The C(34)-H(15,16) bond length is 1.09 Å. In the thirty-fifth C site, C(35) is bonded in a distorted single-bond geometry to one C(25); one C(29); and one H(17,18) atom. The C(35)-H(17,18) 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(26); one C(30); and one H(17,18) atom. The C(36)-H(17,18) bond length is 1.09 Å. In the thirty-seventh C site, C(37) is bonded in a distorted single-bond geometry to one C(27); one C(7); and one H(19,20) atom. The C(37)-H(19,20) bond length is 1.09 Å. In the thirty-eighth C site, C(38) is bonded in a distorted single-bond geometry to one C(28); one C(8); and one H(19,20) atom. The C(38)-H(19,20) bond length is 1.09 Å. In the thirty-ninth C site, C(39) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(15), and one O(21) atom. The C(39)-O(15) bond length is 1.28 Å. The C(39)-O(21) bond length is 1.27 Å. In the fortieth C site, C(40) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(16), and one O(22) atom. The C(40)-O(16) bond length is 1.28 Å. The C(40)-O(22) bond length is 1.27 Å. There are twelve inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one C(15), and one C(3) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one Cd(2), one C(16), and one C(4) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cd(4), one C(15), and one C(9) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cd(3), one C(10), and one C(16) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(23), one C(7), and one H(31) atom. The N(5)-H(31) bond length is 1.59 Å. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(24), one C(8), and one H(32) atom. The N(6)-H(32) bond length is 1.58 Å. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one C(13), one C(29), and one H(29) atom. The N(7)-H(29) bond length is 1.50 Å. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one C(14), one C(30), and one H(30) atom. The N(8)-H(30) bond length is 1.50 Å. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one C(11), one C(5), and one H(25) atom. The N(9)-H(25) bond length is 1.03 Å. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one C(12), one C(6), and one H(26) atom. The N(10)-H(26) bond length is 1.03 Å. In the eleventh N site, N(11) is bonded in a distorted water-like geometry to one Cd(1), one C(1), and one C(11) atom. In the twelfth N site, N(12) is bonded in a distorted water-like geometry to one Cd(2), one C(12), and one C(2) atom. There are thirty-one inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(13) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(14) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(23) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(24) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(29) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(30) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(7) atom. The H(9)-O(7) bond length is 0.99 Å. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(8) atom. The H(10)-O(8) bond length is 0.99 Å. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(7) atom. The H(11)-O(7) bond length is 1.01 Å. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(8) atom. The H(12)-O(8) bond length is 1.01 Å. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(31) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(32) atom. In the fifteenth H site, H(15,16) is bonded in a single-bond geometry to one C(33) atom. In the sixteenth H site, H(17,18) is bonded in a single-bond geometry to one C(35) atom. In the seventeenth H site, H(19,20) is bonded in a single-bond geometry to one C(37) atom. In the eighteenth H site, H(25) is bonded in a single-bond geometry to one N(9) atom. In the nineteenth H site, H(26) is bonded in a single-bond geometry to one N(10) atom. In the twentieth H site, H(27) is bonded in a single-bond geometry to one O(13) atom. The H(27)-O(13) bond length is 0.98 Å. In the twenty-first H site, H(28) is bonded in a single-bond geometry to one O(14) atom. The H(28)-O(14) bond length is 0.98 Å. In the twenty-second H site, H(29) is bonded in a linear geometry to one N(7) and one O(13) atom. The H(29)-O(13) bond length is 1.06 Å. In the twenty-third H site, H(30) is bonded in a linear geometry to one N(8) and one O(14) atom. The H(30)-O(14) bond length is 1.06 Å. In the twenty-fourth H site, H(31) is bonded in a distorted linear geometry to one N(5) and one O(17) atom. The H(31)-O(17) bond length is 1.05 Å. In the twenty-fifth H site, H(32) is bonded in a distorted linear geometry to one N(6) and one O(18) atom. The H(32)-O(18) bond length is 1.05 Å. In the twenty-sixth H site, H(33) is bonded in a single-bond geometry to one O(17) atom. The H(33)-O(17) bond length is 0.97 Å. In the twenty-seventh H site, H(34) is bonded in a single-bond geometry to one O(18) atom. The H(34)-O(18) bond length is 0.97 Å. In the twenty-eighth H site, H(35) is bonded in a distorted single-bond geometry to one O(25) atom. The H(35)-O(25) bond length is 1.00 Å. In the twenty-ninth H site, H(36) is bonded in a distorted single-bond geometry to one O(26) atom. The H(36)-O(26) bond length is 1.00 Å. In the thirtieth H site, H(37) is bonded in a single-bond geometry to one O(25) atom. The H(37)-O(25) bond length is 0.98 Å. In the thirty-first H site, H(38) is bonded in a single-bond geometry to one O(26) atom. The H(38)-O(26) bond length is 0.98 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Dy(1) and one C(21) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Dy(2) and one C(22) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Dy(1) and one C(19) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Dy(2) and one C(20) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one C(19) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cd(2) and one C(20) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Cd(3), one H(11), and one H(9) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Cd(4), one H(10), and one H(12) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cd(4) and one C(17) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Cd(3) and one C(18) atom. In the eleventh O site, O(13) is bonded in a distorted water-like geometry to one Dy(1), one H(27), and one H(29) atom. In the twelfth O site, O(14) is bonded in a distorted water-like geometry to one Dy(2), one H(28), and one H(30) atom. In the thirteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Cd(3) and one C(39) atom. In the fourteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Cd(4) and one C(40) atom. In the fifteenth O site, O(17) is bonded in a distorted water-like geometry to one Dy(1), one H(31), and one H(33) atom. In the sixteenth O site, O(18) is bonded in a distorted water-like geometry to one Dy(2), one H(32), and one H(34) atom. In the seventeenth O site, O(19) is bonded in a bent 150 degrees geometry to one Dy(1) and one C(17) atom. In the eighteenth O site, O(20) is bonded in a bent 150 degrees geometry to one Dy(2) and one C(18) atom. In the nineteenth O site, O(21) is bonded in a distorted bent 150 degrees geometry to one Dy(1) and one C(39) atom. In the twentieth O site, O(22) is bonded in a distorted bent 150 degrees geometry to one Dy(2) and one C(40) atom. In the twenty-first O site, O(23) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one C(21) atom. In the twenty-second O site, O(24) is bonded in a distorted bent 120 degrees geometry to one Cd(2) and one C(22) atom. In the twenty-third O site, O(25) is bonded in a distorted water-like geometry to one Dy(1), one H(35), and one H(37) atom. In the twenty-fourth O site, O(26) is bonded in a distorted water-like geometry to one Dy(2), one H(36), and one H(38) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cd(3) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cd(4) atom. In the third Cl site, Cl(3) is bonded in a bent 150 degrees geometry to one Cd(1) and one Cd(2) atom. In the fourth Cl site, Cl(4) is bonded in a bent 150 degrees geometry to one Cd(1) and one Cd(2) atom. Linkers: 2 [O]C(=O)c1nc(-c2ccncc2)[nH]c1C([O])=O ,2 [O]C(=O)C1=C(C([O])=O)N=C(c2ccncc2)[N]1. Metal clusters: 2 [Dy] ,4 [Cd]. The MOF has largest included sphere 2.54 A, density 2.30 g/cm3, surface area 3028.29 m2/g, accessible volume 0.11 cm3/g