CdC22H14(N2O)3(CH)6 crystallizes in the monoclinic C2/c space group. The structure consists of ninety-six 02329_fluka molecules inside a CdC22H14(N2O)3 framework. In the CdC22H14(N2O)3 framework, there are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a distorted pentagonal pyramidal geometry to one N(1), one N(2), one N(3), one N(4), one O(1), and one O(3) atom. The Cd(1)-N(1) bond length is 2.33 Å. The Cd(1)-N(2) bond length is 2.30 Å. The Cd(1)-N(3) bond length is 2.40 Å. The Cd(1)-N(4) bond length is 2.33 Å. The Cd(1)-O(1) bond length is 2.29 Å. The Cd(1)-O(3) bond length is 2.25 Å. In the second Cd site, Cd(2) is bonded in a distorted octahedral geometry to one N(10), one N(12), one N(5), one N(6), one O(2), and one O(5) atom. The Cd(2)-N(10) bond length is 2.37 Å. The Cd(2)-N(12) bond length is 2.43 Å. The Cd(2)-N(5) bond length is 2.33 Å. The Cd(2)-N(6) bond length is 2.38 Å. The Cd(2)-O(2) bond length is 2.21 Å. The Cd(2)-O(5) bond length is 2.27 Å. There are forty-four inequivalent C sites. In the first C site, C(1) is bonded in a 3-coordinate geometry to one C(2), one N(1), and one H(1) atom. The C(1)-C(2) bond length is 1.38 Å. The C(1)-N(1) bond length is 1.32 Å. The C(1)-H(1) bond length is 0.93 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1) and one H(2) atom. The C(2)-H(2) bond length is 0.93 Å. In the third C site, C(4) is bonded in a distorted single-bond geometry to one C(5) and one H(4) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(4) bond length is 0.93 Å. In the fourth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one C(6), and one N(1) atom. The C(5)-C(6) bond length is 1.46 Å. The C(5)-N(1) bond length is 1.37 Å. In the fifth C site, C(6) is bonded in a distorted single-bond geometry to one C(5) and one N(2) atom. The C(6)-N(2) bond length is 1.33 Å. In the sixth C site, C(7) is bonded in a distorted single-bond geometry to one C(8) and one H(5) atom. The C(7)-C(8) bond length is 1.37 Å. The C(7)-H(5) bond length is 0.93 Å. In the seventh C site, C(8) is bonded in a 3-coordinate geometry to one C(7), one N(7), and one H(6) atom. The C(8)-N(7) bond length is 1.36 Å. The C(8)-H(6) bond length is 0.93 Å. In the eighth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(8) atom. The C(9)-N(3) bond length is 1.32 Å. The C(9)-H(8) bond length is 0.93 Å. In the ninth C site, C(12) is bonded in a distorted single-bond geometry to one C(13) and one H(11) atom. The C(12)-C(13) bond length is 1.37 Å. The C(12)-H(11) bond length is 0.93 Å. In the tenth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one N(3) atom. The C(13)-C(14) bond length is 1.49 Å. The C(13)-N(3) bond length is 1.35 Å. In the eleventh C site, C(14) is bonded in a distorted single-bond geometry to one C(13), one C(15), and one N(4) atom. The C(14)-C(15) bond length is 1.37 Å. The C(14)-N(4) bond length is 1.35 Å. In the twelfth C site, C(15) is bonded in a distorted single-bond geometry to one C(14) and one H(12) atom. The C(15)-H(12) bond length is 0.93 Å. In the thirteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one N(8) and one H(13) atom. The C(16)-N(8) bond length is 1.32 Å. The C(16)-H(13) bond length is 0.93 Å. In the fourteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one C(18), one O(1), and one O(2) atom. The C(17)-C(18) bond length is 1.51 Å. The C(17)-O(1) bond length is 1.25 Å. The C(17)-O(2) bond length is 1.24 Å. In the fifteenth C site, C(18) is bonded in a trigonal planar geometry to one C(17), one C(19), and one C(24) atom. The C(18)-C(19) bond length is 1.41 Å. The C(18)-C(24) bond length is 1.40 Å. In the sixteenth C site, C(19) is bonded in a trigonal planar geometry to one C(18), one C(20), and one C(24) atom. The C(19)-C(20) bond length is 1.43 Å. The C(19)-C(24) bond length is 1.45 Å. In the seventeenth C site, C(20) is bonded in a distorted single-bond geometry to one C(19) and one H(15) atom. The C(20)-H(15) bond length is 0.93 Å. In the eighteenth C site, C(23) is bonded in a distorted single-bond geometry to one C(24) and one H(18) atom. The C(23)-C(24) bond length is 1.42 Å. The C(23)-H(18) bond length is 0.93 Å. In the nineteenth C site, C(24) is bonded in a trigonal planar geometry to one C(18), one C(19), and one C(23) atom. In the twentieth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(26), one O(3), and one O(4) atom. The C(25)-C(26) bond length is 1.52 Å. The C(25)-O(3) bond length is 1.28 Å. The C(25)-O(4) bond length is 1.22 Å. In the twenty-first C site, C(26) is bonded in a trigonal planar geometry to one C(25), one C(27), and one C(32) atom. The C(26)-C(27) bond length is 1.39 Å. The C(26)-C(32) bond length is 1.40 Å. In the twenty-second C site, C(27) is bonded in a trigonal planar geometry to one C(26), one C(28), and one C(32) atom. The C(27)-C(28) bond length is 1.45 Å. The C(27)-C(32) bond length is 1.44 Å. In the twenty-third C site, C(28) is bonded in a distorted single-bond geometry to one C(27) and one H(19) atom. The C(28)-H(19) bond length is 0.93 Å. In the twenty-fourth C site, C(31) is bonded in a distorted single-bond geometry to one C(32) and one H(22) atom. The C(31)-C(32) bond length is 1.40 Å. The C(31)-H(22) bond length is 0.93 Å. In the twenty-fifth C site, C(32) is bonded in a trigonal planar geometry to one C(26), one C(27), and one C(31) atom. In the twenty-sixth C site, C(33) is bonded in a distorted bent 120 degrees geometry to one C(34), one O(5), and one O(6) atom. The C(33)-C(34) bond length is 1.51 Å. The C(33)-O(5) bond length is 1.27 Å. The C(33)-O(6) bond length is 1.26 Å. In the twenty-seventh C site, C(34) is bonded in a trigonal planar geometry to one C(33), one C(35), and one C(40) atom. The C(34)-C(35) bond length is 1.43 Å. The C(34)-C(40) bond length is 1.37 Å. In the twenty-eighth C site, C(35) is bonded in a trigonal planar geometry to one C(34), one C(36), and one C(40) atom. The C(35)-C(36) bond length is 1.43 Å. The C(35)-C(40) bond length is 1.45 Å. In the twenty-ninth C site, C(36) is bonded in a distorted single-bond geometry to one C(35), one C(37), and one H(23) atom. The C(36)-C(37) bond length is 1.35 Å. The C(36)-H(23) bond length is 0.93 Å. In the thirtieth C site, C(37) is bonded in a distorted trigonal planar geometry to one C(36), one C(38), and one H(24) atom. The C(37)-C(38) bond length is 1.40 Å. The C(37)-H(24) bond length is 0.93 Å. In the thirty-first C site, C(38) is bonded in a distorted single-bond geometry to one C(37) and one H(25) atom. The C(38)-H(25) bond length is 0.93 Å. In the thirty-second C site, C(39) is bonded in a distorted single-bond geometry to one C(40) and one H(26) atom. The C(39)-C(40) bond length is 1.44 Å. The C(39)-H(26) bond length is 0.93 Å. In the thirty-third C site, C(40) is bonded in a trigonal planar geometry to one C(34), one C(35), and one C(39) atom. In the thirty-fourth C site, C(41) is bonded in a distorted bent 120 degrees geometry to one N(9) and one H(28) atom. The C(41)-N(9) bond length is 1.30 Å. The C(41)-H(28) bond length is 0.93 Å. In the thirty-fifth C site, C(43) is bonded in a distorted single-bond geometry to one C(44) and one N(5) atom. The C(43)-C(44) bond length is 1.49 Å. The C(43)-N(5) bond length is 1.33 Å. In the thirty-sixth C site, C(44) is bonded in a distorted single-bond geometry to one C(43), one C(45), and one N(6) atom. The C(44)-C(45) bond length is 1.37 Å. The C(44)-N(6) bond length is 1.32 Å. In the thirty-seventh C site, C(45) is bonded in a distorted single-bond geometry to one C(44) and one H(30) atom. The C(45)-H(30) bond length is 0.93 Å. In the thirty-eighth C site, C(48) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(33) atom. The C(48)-N(6) bond length is 1.32 Å. The C(48)-H(33) bond length is 0.93 Å. In the thirty-ninth C site, C(49) is bonded in a distorted bent 120 degrees geometry to one N(11) and one H(35) atom. The C(49)-N(11) bond length is 1.39 Å. The C(49)-H(35) bond length is 0.93 Å. In the fortieth C site, C(50) is bonded in a distorted single-bond geometry to one C(51) and one H(36) atom. The C(50)-C(51) bond length is 1.38 Å. The C(50)-H(36) bond length is 0.93 Å. In the forty-first C site, C(51) is bonded in a distorted single-bond geometry to one C(50), one C(52), and one N(10) atom. The C(51)-C(52) bond length is 1.46 Å. The C(51)-N(10) bond length is 1.39 Å. In the forty-second C site, C(52) is bonded in a distorted trigonal planar geometry to one C(51), one C(53), and one N(12) atom. The C(52)-C(53) bond length is 1.39 Å. The C(52)-N(12) bond length is 1.39 Å. In the forty-third C site, C(53) is bonded in a distorted single-bond geometry to one C(52) and one H(37) atom. The C(53)-H(37) bond length is 0.93 Å. In the forty-fourth C site, C(56) is bonded in a distorted bent 120 degrees geometry to one N(12) and one H(40) atom. The C(56)-N(12) bond length is 1.39 Å. The C(56)-H(40) 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(1), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(6), and one N(7) atom. The N(2)-N(7) bond length is 1.32 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cd(1), one C(13), and one C(9) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(14), and one N(8) atom. The N(4)-N(8) bond length is 1.35 Å. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Cd(2), one C(43), and one N(9) atom. The N(5)-N(9) bond length is 1.35 Å. In the sixth N site, N(6) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(44), and one C(48) atom. In the seventh N site, N(7) is bonded in a 1-coordinate geometry to one C(8), one N(2), and one H(7) atom. The N(7)-H(7) bond length is 0.86 Å. In the eighth N site, N(8) is bonded in a 2-coordinate geometry to one C(16), one N(4), and one H(14) atom. The N(8)-H(14) bond length is 0.86 Å. In the ninth N site, N(9) is bonded in a 2-coordinate geometry to one C(41), one N(5), and one H(27) atom. The N(9)-H(27) bond length is 0.86 Å. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(51), and one N(11) atom. The N(10)-N(11) bond length is 1.39 Å. In the eleventh N site, N(11) is bonded in a 1-coordinate geometry to one C(49), one N(10), and one H(34) atom. The N(11)-H(34) bond length is 0.86 Å. In the twelfth N site, N(12) is bonded in a distorted trigonal planar geometry to one Cd(2), one C(52), and one C(56) atom. There are twenty-eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one N(7) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(11) is bonded in a single-bond geometry to one C(12) atom. In the ninth H site, H(12) is bonded in a single-bond geometry to one C(15) atom. In the tenth H site, H(13) is bonded in a single-bond geometry to one C(16) atom. In the eleventh H site, H(14) is bonded in a single-bond geometry to one N(8) atom. In the twelfth H site, H(15) is bonded in a single-bond geometry to one C(20) atom. In the thirteenth H site, H(18) is bonded in a single-bond geometry to one C(23) atom. In the fourteenth H site, H(19) is bonded in a single-bond geometry to one C(28) atom. In the fifteenth H site, H(22) is bonded in a single-bond geometry to one C(31) atom. In the sixteenth H site, H(23) is bonded in a single-bond geometry to one C(36) atom. In the seventeenth H site, H(24) 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 C(38) atom. In the nineteenth H site, H(26) is bonded in a single-bond geometry to one C(39) atom. In the twentieth H site, H(27) is bonded in a single-bond geometry to one N(9) atom. In the twenty-first H site, H(28) is bonded in a single-bond geometry to one C(41) atom. In the twenty-second H site, H(30) is bonded in a single-bond geometry to one C(45) atom. In the twenty-third H site, H(33) is bonded in a single-bond geometry to one C(48) atom. In the twenty-fourth H site, H(34) is bonded in a distorted bent 150 degrees geometry to one N(11) and one H(34) atom. The H(34)-H(34) bond length is 0.73 Å. In the twenty-fifth H site, H(35) is bonded in a single-bond geometry to one C(49) atom. In the twenty-sixth H site, H(36) is bonded in a single-bond geometry to one C(50) atom. In the twenty-seventh H site, H(37) is bonded in a single-bond geometry to one C(53) atom. In the twenty-eighth H site, H(40) is bonded in a single-bond geometry to one C(56) atom. There are six inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cd(2) and one C(17) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one C(25) atom. In the third O site, O(4) is bonded in a single-bond geometry to one C(25) atom. In the fourth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one C(17) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Cd(2) and one C(33) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one C(33) atom. Linkers: 13 [O]C(=O)c1c2ccccc2c(C([O])=O)c2ccccc12 ,1 [O][C]c1c2ccccc2c(C([O])=O)c2ccccc12. Metal clusters: 8 O=[C]O[Cd]O[C]O[Cd]O[C]=O. RCSR code: hcb. The MOF has largest included sphere 5.85 A, density 1.35 g/cm3, surface area 4456.53 m2/g, accessible volume 0.29 cm3/g