CdC19H13(N3O)2(CH)3 crystallizes in the tetragonal I4_1 space group. The structure consists of forty-eight 02329_fluka molecules inside a CdC19H13(N3O)2 framework. In the CdC19H13(N3O)2 framework, there are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 6-coordinate geometry to one N(10), one N(12), one N(3), one O(1), one O(3), and one O(4) atom. The Cd(1)-N(10) bond length is 2.27 Å. The Cd(1)-N(12) bond length is 2.28 Å. The Cd(1)-N(3) bond length is 2.37 Å. The Cd(1)-O(1) bond length is 2.34 Å. The Cd(1)-O(3) bond length is 2.38 Å. The Cd(1)-O(4) bond length is 2.52 Å. In the second Cd site, Cd(2) is bonded in a T-shaped geometry to one N(1), one N(5), and one N(9) atom. The Cd(2)-N(1) bond length is 2.24 Å. The Cd(2)-N(5) bond length is 2.31 Å. The Cd(2)-N(9) bond length is 2.29 Å. There are thirty-eight inequivalent C sites. In the first C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(5), one N(3), and one H(2) atom. The C(2)-C(5) bond length is 1.35 Å. The C(2)-N(3) bond length is 1.37 Å. The C(2)-H(2) bond length is 0.93 Å. In the second C site, C(3) is bonded in a distorted single-bond geometry to one N(11) atom. The C(3)-N(11) bond length is 1.44 Å. In the third C site, C(4) is bonded in a distorted single-bond geometry to one N(4) atom. The C(4)-N(4) bond length is 1.42 Å. In the fourth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(2), one N(4), and one H(3) atom. The C(5)-N(4) bond length is 1.36 Å. The C(5)-H(3) bond length is 0.93 Å. In the fifth C site, C(6) is bonded in a trigonal planar geometry to one N(3), one N(4), and one H(4) atom. The C(6)-N(3) bond length is 1.33 Å. The C(6)-N(4) bond length is 1.34 Å. The C(6)-H(4) bond length is 0.93 Å. In the sixth C site, C(8) is bonded in a distorted single-bond geometry to one N(2) atom. The C(8)-N(2) bond length is 1.42 Å. In the seventh C site, C(10) is bonded in a trigonal planar geometry to one N(1), one N(2), and one H(7) atom. The C(10)-N(1) bond length is 1.33 Å. The C(10)-N(2) bond length is 1.30 Å. The C(10)-H(7) bond length is 0.93 Å. In the eighth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(23), one O(3), and one O(4) atom. The C(11)-C(23) bond length is 1.48 Å. The C(11)-O(3) bond length is 1.26 Å. The C(11)-O(4) bond length is 1.29 Å. In the ninth C site, C(12) is bonded in a distorted single-bond geometry to one C(17), one C(18), and one H(8) atom. The C(12)-C(17) bond length is 1.37 Å. The C(12)-C(18) bond length is 1.38 Å. The C(12)-H(8) bond length is 0.93 Å. In the tenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(14), one C(16), and one N(7) atom. The C(13)-C(14) bond length is 1.37 Å. The C(13)-C(16) bond length is 1.39 Å. The C(13)-N(7) bond length is 1.43 Å. In the eleventh C site, C(14) is bonded in a distorted single-bond geometry to one C(13), one C(18), and one H(9) atom. The C(14)-C(18) bond length is 1.36 Å. The C(14)-H(9) bond length is 0.93 Å. In the twelfth C site, C(15) is bonded in a trigonal planar geometry to one N(10), one N(7), and one H(10) atom. The C(15)-N(10) bond length is 1.29 Å. The C(15)-N(7) bond length is 1.31 Å. The C(15)-H(10) bond length is 0.93 Å. In the thirteenth C site, C(16) is bonded in a distorted single-bond geometry to one C(13), one C(17), and one H(11) atom. The C(16)-C(17) bond length is 1.39 Å. The C(16)-H(11) bond length is 0.93 Å. In the fourteenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(12), one C(16), and one N(6) atom. The C(17)-N(6) bond length is 1.40 Å. In the fifteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one N(8) atom. The C(18)-N(8) bond length is 1.44 Å. In the sixteenth C site, C(19) is bonded in a single-bond geometry to one C(20) and one H(12) atom. The C(19)-C(20) bond length is 1.41 Å. The C(19)-H(12) bond length is 0.93 Å. In the seventeenth 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 1.53 Å. The C(20)-C(24) bond length is 1.39 Å. In the eighteenth C site, C(21) is bonded in a distorted bent 120 degrees geometry to one C(20), one O(1), and one O(2) atom. The C(21)-O(1) bond length is 1.28 Å. The C(21)-O(2) bond length is 1.21 Å. In the nineteenth C site, C(23) is bonded in a trigonal planar geometry to one C(11), one C(26), and one C(28) atom. The C(23)-C(26) bond length is 1.40 Å. The C(23)-C(28) bond length is 1.38 Å. In the twentieth C site, C(24) is bonded in a trigonal planar geometry to one C(20), one C(25), and one C(26) atom. The C(24)-C(25) bond length is 1.40 Å. The C(24)-C(26) bond length is 1.51 Å. In the twenty-first C site, C(25) is bonded in a distorted single-bond geometry to one C(24), one C(27), and one H(14) atom. The C(25)-C(27) bond length is 1.36 Å. The C(25)-H(14) bond length is 0.93 Å. In the twenty-second C site, C(26) is bonded in a trigonal planar geometry to one C(23), one C(24), and one C(35) atom. The C(26)-C(35) bond length is 1.41 Å. In the twenty-third C site, C(27) is bonded in a distorted single-bond geometry to one C(25) and one H(15) atom. The C(27)-H(15) bond length is 0.93 Å. In the twenty-fourth C site, C(28) is bonded in a distorted single-bond geometry to one C(23) and one H(16) atom. The C(28)-H(16) bond length is 0.93 Å. In the twenty-fifth C site, C(29) is bonded in a distorted trigonal planar geometry to one C(32), one N(5), and one H(17) atom. The C(29)-C(32) bond length is 1.31 Å. The C(29)-N(5) bond length is 1.41 Å. The C(29)-H(17) bond length is 0.93 Å. In the twenty-sixth C site, C(30) is bonded in a trigonal planar geometry to one N(5), one N(6), and one H(18) atom. The C(30)-N(5) bond length is 1.32 Å. The C(30)-N(6) bond length is 1.36 Å. The C(30)-H(18) bond length is 0.93 Å. In the twenty-seventh C site, C(31) is bonded in a trigonal planar geometry to one N(8), one N(9), and one H(19) atom. The C(31)-N(8) bond length is 1.33 Å. The C(31)-N(9) bond length is 1.29 Å. The C(31)-H(19) bond length is 0.93 Å. In the twenty-eighth C site, C(32) is bonded in a distorted bent 120 degrees geometry to one C(29), one N(6), and one H(20) atom. The C(32)-N(6) bond length is 1.40 Å. The C(32)-H(20) bond length is 0.93 Å. In the twenty-ninth C site, C(35) is bonded in a distorted single-bond geometry to one C(26) and one H(23) atom. The C(35)-H(23) bond length is 0.93 Å. In the thirtieth C site, C(36) is bonded in a distorted bent 120 degrees geometry to one N(7) and one H(24) atom. The C(36)-N(7) bond length is 1.36 Å. The C(36)-H(24) bond length is 0.93 Å. In the thirty-first C site, C(37) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(25) atom. The C(37)-N(2) bond length is 1.37 Å. The C(37)-H(25) bond length is 0.93 Å. In the thirty-second C site, C(38) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(26) atom. The C(38)-N(1) bond length is 1.31 Å. The C(38)-H(26) bond length is 0.93 Å. In the thirty-third C site, C(39) is bonded in a distorted bent 120 degrees geometry to one N(10) and one H(27) atom. The C(39)-N(10) bond length is 1.36 Å. The C(39)-H(27) bond length is 0.93 Å. In the thirty-fourth C site, C(40) is bonded in a distorted bent 120 degrees geometry to one C(41), one N(9), and one H(28) atom. The C(40)-C(41) bond length is 1.34 Å. The C(40)-N(9) bond length is 1.34 Å. The C(40)-H(28) bond length is 0.93 Å. In the thirty-fifth C site, C(41) is bonded in a distorted trigonal planar geometry to one C(40), one N(8), and one H(29) atom. The C(41)-N(8) bond length is 1.37 Å. The C(41)-H(29) bond length is 0.93 Å. In the thirty-sixth C site, C(42) is bonded in a trigonal planar geometry to one N(11), one N(12), and one H(30) atom. The C(42)-N(11) bond length is 1.36 Å. The C(42)-N(12) bond length is 1.30 Å. The C(42)-H(30) bond length is 0.93 Å. In the thirty-seventh C site, C(43) is bonded in a distorted bent 120 degrees geometry to one C(44), one N(12), and one H(31) atom. The C(43)-C(44) bond length is 1.36 Å. The C(43)-N(12) bond length is 1.33 Å. The C(43)-H(31) bond length is 0.93 Å. In the thirty-eighth C site, C(44) is bonded in a distorted trigonal planar geometry to one C(43), one N(11), and one H(32) atom. The C(44)-N(11) bond length is 1.37 Å. The C(44)-H(32) bond length is 0.93 Å. There are twelve inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cd(2), one C(10), and one C(38) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(10), one C(37), and one C(8) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(2), and one C(6) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(4), one C(5), and one C(6) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cd(2), one C(29), and one C(30) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(17), one C(30), and one C(32) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one C(13), one C(15), and one C(36) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one C(18), one C(31), and one C(41) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Cd(2), one C(31), and one C(40) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one Cd(1), one C(15), and one C(39) atom. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one C(3), one C(42), and one C(44) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Cd(1), one C(42), and one C(43) atom. There are twenty-six inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(6) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(10) atom. In the fifth H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the sixth H site, H(9) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(15) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(16) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(19) atom. In the tenth H site, H(14) is bonded in a single-bond geometry to one C(25) atom. In the eleventh H site, H(15) is bonded in a single-bond geometry to one C(27) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(28) atom. In the thirteenth H site, H(17) is bonded in a single-bond geometry to one C(29) atom. In the fourteenth H site, H(18) is bonded in a single-bond geometry to one C(30) atom. In the fifteenth H site, H(19) is bonded in a single-bond geometry to one C(31) atom. In the sixteenth H site, H(20) is bonded in a single-bond geometry to one C(32) atom. In the seventeenth H site, H(23) is bonded in a single-bond geometry to one C(35) atom. In the eighteenth H site, H(24) is bonded in a single-bond geometry to one C(36) atom. In the nineteenth H site, H(25) is bonded in a single-bond geometry to one C(37) atom. In the twentieth H site, H(26) is bonded in a single-bond geometry to one C(38) atom. In the twenty-first H site, H(27) is bonded in a single-bond geometry to one C(39) atom. In the twenty-second H site, H(28) is bonded in a single-bond geometry to one C(40) atom. In the twenty-third H site, H(29) is bonded in a single-bond geometry to one C(41) atom. In the twenty-fourth H site, H(30) is bonded in a single-bond geometry to one C(42) atom. In the twenty-fifth H site, H(31) is bonded in a single-bond geometry to one C(43) atom. In the twenty-sixth H site, H(32) is bonded in a single-bond geometry to one C(44) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Cd(1) and one C(21) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(21) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cd(1) and one C(11) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cd(1) and one C(11) atom. Linkers: 8 [O]C(=O)c1ccccc1-c1ccccc1C([O])=O ,16 c1cn(-c2cc(-n3ccnc3)cc(-n3ccnc3)c2)cn1. Metal clusters: 8 O=[C]O[Cd]1O[C]O1 ,8 [Cd]. The MOF has largest included sphere 9.54 A, density 0.83 g/cm3, surface area 4516.93 m2/g, accessible volume 0.71 cm3/g