Cd2C45N18H45O6Cl crystallizes in the triclinic P-1 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in an octahedral geometry to one N(1), one N(10), one N(9), one O(1), one O(2), and one Cl(1) atom. The Cd(1)-N(1) bond length is 2.49 Å. The Cd(1)-N(10) bond length is 2.35 Å. The Cd(1)-N(9) bond length is 2.35 Å. The Cd(1)-O(1) bond length is 2.33 Å. The Cd(1)-O(2) bond length is 2.46 Å. The Cd(1)-Cl(1) bond length is 2.59 Å. In the second Cd site, Cd(2) is bonded in a distorted octahedral geometry to one N(15), one N(18), one N(6), one O(3), one O(4), and one O(6) atom. The Cd(2)-N(15) bond length is 2.36 Å. The Cd(2)-N(18) bond length is 2.34 Å. The Cd(2)-N(6) bond length is 2.40 Å. The Cd(2)-O(3) bond length is 2.52 Å. The Cd(2)-O(4) bond length is 2.35 Å. The Cd(2)-O(6) bond length is 2.25 Å. There are forty-five inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.49 Å. The C(1)-O(1) bond length is 1.28 Å. The C(1)-O(2) bond length is 1.28 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(7) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(7) 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) and one H(1) atom. The C(3)-H(1) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(5) and one H(2) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(2) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(5)-C(6) bond length is 1.41 Å. The C(5)-C(8) bond length is 1.50 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(5), one C(7), and one C(9) atom. The C(6)-C(7) bond length is 1.40 Å. The C(6)-C(9) bond length is 1.50 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(3) atom. The C(7)-H(3) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted bent 120 degrees geometry to one C(5), one O(5), and one O(6) atom. The C(8)-O(5) bond length is 1.26 Å. The C(8)-O(6) bond length is 1.29 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(6), one O(3), and one O(4) atom. The C(9)-O(3) bond length is 1.27 Å. The C(9)-O(4) bond length is 1.28 Å. In the tenth C site, C(10) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(4) atom. The C(10)-N(1) bond length is 1.37 Å. The C(10)-N(3) bond length is 1.33 Å. The C(10)-H(4) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(5) atom. The C(11)-N(1) bond length is 1.34 Å. The C(11)-N(2) bond length is 1.35 Å. The C(11)-H(5) bond length is 1.08 Å. In the twelfth C site, C(12) is bonded in a 3-coordinate geometry to one C(13), one N(2), one H(6), and one H(7) atom. The C(12)-C(13) bond length is 1.51 Å. The C(12)-N(2) bond length is 1.47 Å. The C(12)-H(6) bond length is 1.09 Å. The C(12)-H(7) bond length is 1.10 Å. In the thirteenth C site, C(13) is bonded in a trigonal planar geometry to one C(12), one C(14), and one C(18) atom. The C(13)-C(14) bond length is 1.41 Å. The C(13)-C(18) bond length is 1.41 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(19) atom. The C(14)-C(15) bond length is 1.41 Å. The C(14)-C(19) bond length is 1.51 Å. In the fifteenth C site, C(15) is bonded in a trigonal planar geometry to one C(14), one C(16), and one C(22) atom. The C(15)-C(16) bond length is 1.41 Å. The C(15)-C(22) bond length is 1.51 Å. In the sixteenth C site, C(16) is bonded in a trigonal planar geometry to one C(15), one C(17), and one C(21) atom. The C(16)-C(17) bond length is 1.41 Å. The C(16)-C(21) bond length is 1.50 Å. In the seventeenth C site, C(17) is bonded in a trigonal planar geometry to one C(16), one C(18), and one C(25) atom. The C(17)-C(18) bond length is 1.41 Å. The C(17)-C(25) bond length is 1.51 Å. In the eighteenth C site, C(18) is bonded in a trigonal planar geometry to one C(13), one C(17), and one C(20) atom. The C(18)-C(20) bond length is 1.50 Å. In the nineteenth C site, C(19) is bonded in a distorted trigonal non-coplanar geometry to one C(14), one H(10), one H(8), and one H(9) atom. The C(19)-H(10) bond length is 1.10 Å. The C(19)-H(8) bond length is 1.09 Å. The C(19)-H(9) bond length is 1.10 Å. In the twentieth C site, C(20) is bonded in a distorted trigonal non-coplanar geometry to one C(18), one H(11), one H(12), and one H(13) atom. The C(20)-H(11) bond length is 1.10 Å. The C(20)-H(12) bond length is 1.10 Å. The C(20)-H(13) bond length is 1.09 Å. In the twenty-first C site, C(21) is bonded in a distorted trigonal non-coplanar geometry to one C(16), one H(14), one H(15), and one H(16) atom. The C(21)-H(14) bond length is 1.09 Å. The C(21)-H(15) bond length is 1.10 Å. The C(21)-H(16) bond length is 1.10 Å. In the twenty-second C site, C(22) is bonded in a distorted trigonal non-coplanar geometry to one C(15), one N(4), one H(17), and one H(18) atom. The C(22)-N(4) bond length is 1.47 Å. The C(22)-H(17) bond length is 1.10 Å. The C(22)-H(18) bond length is 1.09 Å. In the twenty-third C site, C(23) is bonded in a trigonal planar geometry to one N(4), one N(6), and one H(19) atom. The C(23)-N(4) bond length is 1.35 Å. The C(23)-N(6) bond length is 1.33 Å. The C(23)-H(19) bond length is 1.08 Å. In the twenty-fourth C site, C(24) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(20) atom. The C(24)-N(5) bond length is 1.33 Å. The C(24)-N(6) bond length is 1.37 Å. The C(24)-H(20) bond length is 1.09 Å. In the twenty-fifth C site, C(25) is bonded in a distorted trigonal non-coplanar geometry to one C(17), one N(7), one H(21), and one H(22) atom. The C(25)-N(7) bond length is 1.47 Å. The C(25)-H(21) bond length is 1.10 Å. The C(25)-H(22) bond length is 1.09 Å. In the twenty-sixth C site, C(26) is bonded in a trigonal planar geometry to one N(7), one N(9), and one H(23) atom. The C(26)-N(7) bond length is 1.34 Å. The C(26)-N(9) bond length is 1.34 Å. The C(26)-H(23) bond length is 1.09 Å. In the twenty-seventh C site, C(27) is bonded in a trigonal planar geometry to one N(8), one N(9), and one H(24) atom. The C(27)-N(8) bond length is 1.33 Å. The C(27)-N(9) bond length is 1.37 Å. The C(27)-H(24) bond length is 1.09 Å. In the twenty-eighth C site, C(28) is bonded in a trigonal planar geometry to one N(10), one N(12), and one H(25) atom. The C(28)-N(10) bond length is 1.37 Å. The C(28)-N(12) bond length is 1.33 Å. The C(28)-H(25) bond length is 1.08 Å. In the twenty-ninth C site, C(29) is bonded in a trigonal planar geometry to one N(10), one N(11), and one H(26) atom. The C(29)-N(10) bond length is 1.34 Å. The C(29)-N(11) bond length is 1.34 Å. The C(29)-H(26) bond length is 1.09 Å. In the thirtieth C site, C(30) is bonded in a distorted trigonal non-coplanar geometry to one C(31), one N(11), one H(27), and one H(28) atom. The C(30)-C(31) bond length is 1.51 Å. The C(30)-N(11) bond length is 1.47 Å. The C(30)-H(27) bond length is 1.10 Å. The C(30)-H(28) bond length is 1.10 Å. In the thirty-first C site, C(31) is bonded in a trigonal planar geometry to one C(30), one C(32), and one C(36) atom. The C(31)-C(32) bond length is 1.41 Å. The C(31)-C(36) bond length is 1.41 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(37) atom. The C(32)-C(33) bond length is 1.41 Å. The C(32)-C(37) bond length is 1.50 Å. In the thirty-third C site, C(33) is bonded in a trigonal planar geometry to one C(32), one C(34), and one C(40) atom. The C(33)-C(34) bond length is 1.41 Å. The C(33)-C(40) bond length is 1.51 Å. In the thirty-fourth C site, C(34) is bonded in a trigonal planar geometry to one C(33), one C(35), and one C(39) atom. The C(34)-C(35) bond length is 1.41 Å. The C(34)-C(39) bond length is 1.51 Å. In the thirty-fifth C site, C(35) is bonded in a trigonal planar geometry to one C(34), one C(36), and one C(43) atom. The C(35)-C(36) bond length is 1.41 Å. The C(35)-C(43) bond length is 1.51 Å. In the thirty-sixth C site, C(36) is bonded in a trigonal planar geometry to one C(31), one C(35), and one C(38) atom. The C(36)-C(38) bond length is 1.50 Å. In the thirty-seventh C site, C(37) is bonded in a distorted trigonal non-coplanar geometry to one C(32), one H(29), one H(30), and one H(31) atom. The C(37)-H(29) bond length is 1.10 Å. The C(37)-H(30) bond length is 1.09 Å. The C(37)-H(31) bond length is 1.10 Å. In the thirty-eighth C site, C(38) is bonded in a distorted trigonal non-coplanar geometry to one C(36), one H(32), one H(33), and one H(34) atom. The C(38)-H(32) bond length is 1.10 Å. The C(38)-H(33) bond length is 1.09 Å. The C(38)-H(34) bond length is 1.10 Å. In the thirty-ninth C site, C(39) is bonded in a distorted trigonal non-coplanar geometry to one C(34), one H(35), one H(36), and one H(37) atom. The C(39)-H(35) bond length is 1.10 Å. The C(39)-H(36) bond length is 1.10 Å. The C(39)-H(37) bond length is 1.10 Å. In the fortieth C site, C(40) is bonded in a distorted trigonal non-coplanar geometry to one C(33), one N(13), one H(38), and one H(39) atom. The C(40)-N(13) bond length is 1.46 Å. The C(40)-H(38) bond length is 1.10 Å. The C(40)-H(39) bond length is 1.09 Å. In the forty-first C site, C(41) is bonded in a trigonal planar geometry to one N(13), one N(15), and one H(40) atom. The C(41)-N(13) bond length is 1.34 Å. The C(41)-N(15) bond length is 1.33 Å. The C(41)-H(40) bond length is 1.08 Å. In the forty-second C site, C(42) is bonded in a trigonal planar geometry to one N(14), one N(15), and one H(41) atom. The C(42)-N(14) bond length is 1.33 Å. The C(42)-N(15) bond length is 1.36 Å. The C(42)-H(41) bond length is 1.08 Å. In the forty-third C site, C(43) is bonded in a distorted trigonal non-coplanar geometry to one C(35), one N(16), one H(42), and one H(43) atom. The C(43)-N(16) bond length is 1.47 Å. The C(43)-H(42) bond length is 1.09 Å. The C(43)-H(43) bond length is 1.10 Å. In the forty-fourth C site, C(44) is bonded in a trigonal planar geometry to one N(16), one N(18), and one H(44) atom. The C(44)-N(16) bond length is 1.35 Å. The C(44)-N(18) bond length is 1.33 Å. The C(44)-H(44) bond length is 1.09 Å. In the forty-fifth C site, C(45) is bonded in a trigonal planar geometry to one N(17), one N(18), and one H(45) atom. The C(45)-N(17) bond length is 1.33 Å. The C(45)-N(18) bond length is 1.36 Å. The C(45)-H(45) bond length is 1.09 Å. There are eighteen inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(10), and one C(11) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one C(11), one C(12), and one N(3) atom. The N(2)-N(3) bond length is 1.36 Å. In the third N site, N(3) is bonded in a distorted water-like geometry to one C(10) and one N(2) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one C(22), one C(23), and one N(5) atom. The N(4)-N(5) bond length is 1.36 Å. In the fifth N site, N(5) is bonded in a distorted water-like geometry to one C(24) and one N(4) atom. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(23), and one C(24) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one C(25), one C(26), and one N(8) atom. The N(7)-N(8) bond length is 1.36 Å. In the eighth N site, N(8) is bonded in a distorted water-like geometry to one C(27) and one N(7) atom. In the ninth N site, N(9) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(26), and one C(27) atom. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(28), and one C(29) atom. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one C(29), one C(30), and one N(12) atom. The N(11)-N(12) bond length is 1.36 Å. In the twelfth N site, N(12) is bonded in a distorted water-like geometry to one C(28) and one N(11) atom. In the thirteenth N site, N(13) is bonded in a distorted trigonal planar geometry to one C(40), one C(41), and one N(14) atom. The N(13)-N(14) bond length is 1.36 Å. In the fourteenth N site, N(14) is bonded in a distorted water-like geometry to one C(42) and one N(13) atom. In the fifteenth N site, N(15) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(41), and one C(42) atom. In the sixteenth N site, N(16) is bonded in a distorted trigonal planar geometry to one C(43), one C(44), and one N(17) atom. The N(16)-N(17) bond length is 1.37 Å. In the seventeenth N site, N(17) is bonded in a distorted water-like geometry to one C(45) and one N(16) atom. In the eighteenth N site, N(18) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(44), and one C(45) atom. There are forty-five 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(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(10) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(11) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(12) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(12) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(19) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(19) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(19) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(20) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(20) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(20) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(21) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one C(21) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one C(21) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one C(22) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one C(22) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one C(23) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one C(24) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one C(25) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one C(25) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one C(26) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one C(27) atom. In the twenty-fifth H site, H(25) is bonded in a single-bond geometry to one C(28) atom. In the twenty-sixth H site, H(26) is bonded in a single-bond geometry to one C(29) atom. In the twenty-seventh H site, H(27) is bonded in a single-bond geometry to one C(30) atom. In the twenty-eighth H site, H(28) is bonded in a single-bond geometry to one C(30) atom. In the twenty-ninth H site, H(29) is bonded in a single-bond geometry to one C(37) atom. In the thirtieth H site, H(30) is bonded in a single-bond geometry to one C(37) atom. In the thirty-first H site, H(31) is bonded in a single-bond geometry to one C(37) atom. In the thirty-second H site, H(32) is bonded in a single-bond geometry to one C(38) atom. In the thirty-third H site, H(33) is bonded in a single-bond geometry to one C(38) atom. In the thirty-fourth H site, H(34) is bonded in a single-bond geometry to one C(38) atom. In the thirty-fifth H site, H(35) is bonded in a single-bond geometry to one C(39) atom. In the thirty-sixth H site, H(36) is bonded in a single-bond geometry to one C(39) atom. In the thirty-seventh H site, H(37) is bonded in a single-bond geometry to one C(39) atom. In the thirty-eighth H site, H(38) is bonded in a single-bond geometry to one C(40) atom. In the thirty-ninth H site, H(39) is bonded in a single-bond geometry to one C(40) atom. In the fortieth H site, H(40) is bonded in a single-bond geometry to one C(41) atom. In the forty-first H site, H(41) is bonded in a single-bond geometry to one C(42) atom. In the forty-second H site, H(42) is bonded in a single-bond geometry to one C(43) atom. In the forty-third H site, H(43) is bonded in a single-bond geometry to one C(43) atom. In the forty-fourth H site, H(44) is bonded in a single-bond geometry to one C(44) atom. In the forty-fifth H site, H(45) is bonded in a single-bond geometry to one C(45) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Cd(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cd(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cd(2) and one C(9) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one Cd(2) and one C(9) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one C(8) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cd(2) and one C(8) atom. Cl(1) is bonded in a single-bond geometry to one Cd(1) atom. Linkers: 1 [CH2].[CH2].[CH2].[CH2].[CH2].[CH2].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH][N].[CH][N][N].[CH][N][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]=O.[C]=O.[C]=O.[C]=O.[C][CH].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C]/[C]=[C]\[C].[C][C]C.[C][C][CH2].[C][C][C].[C][N].[C][N].[C][N].[C][N].[C][N][N].[C][N][N].[C][N][N].[Cd].[Cd].[Cl].[Cl].[Cl].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N][N].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][Cd] ,1 [CH2].[CH2].[CH2][N][N].[CH2][N][N].[CH3].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH].[CH][N].[CH][N].[CH][N].[CH][N][CH][N][N].[CH][N][N].[CH][N][N].[CH][N][N].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C].[C]=O.[C]=O.[C]=O.[C]=O.[C]=O.[C]N([N])[C][N].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C].[C][C]/[C]=C\[C].[C][C][CH2].[C][N].[C][N].[C][N].[C][N][N][C].[Cd].[Cd].[Cl].[Cl].[Cl].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[H].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N].[N][N].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O][Cd]. Metal clusters: 2 O=[C]O[Cd]1O[C]O1. The MOF has largest included sphere 4.37 A, density 1.63 g/cm3, surface area 4327.60 m2/g, accessible volume 0.13 cm3/g