CH3CdC14H17S(NO)4 crystallizes in the trigonal P3_221 space group. The structure consists of six 02329_fluka molecules inside a CdC14H17S(NO)4 framework. In the CdC14H17S(NO)4 framework, Cd(1) is bonded to one N(1), one N(2), one N(3), one N(4), one O(1), and one O(3) atom to form CdN4O2 octahedra that share corners with two equivalent S(1)O4 tetrahedra. The Cd(1)-N(1) bond length is 2.40 Å. The Cd(1)-N(2) bond length is 2.39 Å. The Cd(1)-N(3) bond length is 2.39 Å. The Cd(1)-N(4) bond length is 2.33 Å. The Cd(1)-O(1) bond length is 2.35 Å. The Cd(1)-O(3) bond length is 2.40 Å. There are fourteen inequivalent C sites. In the first C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one H(4) atom. The C(2)-C(1) bond length is 1.39 Å. The C(2)-C(3) bond length is 1.39 Å. The C(2)-H(4) bond length is 1.09 Å. In the second C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one H(5) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-H(5) bond length is 1.09 Å. In the third C site, C(4) is bonded in a trigonal planar geometry to one C(3), one C(5), and one C(6) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-C(6) bond length is 1.50 Å. In the fourth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(4), one N(1), and one H(6) atom. The C(5)-N(1) bond length is 1.34 Å. The C(5)-H(6) bond length is 1.09 Å. In the fifth C site, C(6) is bonded in a distorted trigonal non-coplanar geometry to one C(4), one N(2), one H(7), and one H(8) atom. The C(6)-N(2) bond length is 1.47 Å. The C(6)-H(7) bond length is 1.11 Å. The C(6)-H(8) bond length is 1.10 Å. In the sixth C site, C(7) is bonded in a distorted water-like geometry to one N(2) and one H(9) atom. The C(7)-N(2) bond length is 1.48 Å. The C(7)-H(9) bond length is 1.10 Å. In the seventh C site, C(9) is bonded in a distorted trigonal non-coplanar geometry to one N(3), one H(13), and one H(14) atom. The C(9)-N(3) bond length is 1.47 Å. The C(9)-H(13) bond length is 1.10 Å. The C(9)-H(14) bond length is 1.11 Å. In the eighth C site, C(10) is bonded in a distorted trigonal non-coplanar geometry to one C(11), one N(3), one H(15), and one H(16) atom. The C(10)-C(11) bond length is 1.50 Å. The C(10)-N(3) bond length is 1.48 Å. The C(10)-H(15) bond length is 1.10 Å. The C(10)-H(16) bond length is 1.11 Å. In the ninth C site, C(11) is bonded in a trigonal planar geometry to one C(10), one C(12), and one C(15) atom. The C(11)-C(12) bond length is 1.40 Å. The C(11)-C(15) bond length is 1.39 Å. In the tenth C site, C(12) is bonded in a distorted single-bond geometry to one C(11), one C(13), and one H(17) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-H(17) bond length is 1.09 Å. In the eleventh C site, C(13) is bonded in a distorted trigonal planar geometry to one C(12), one C(14), and one H(18) atom. The C(13)-C(14) bond length is 1.39 Å. The C(13)-H(18) bond length is 1.09 Å. In the twelfth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one N(4), and one H(19) atom. The C(14)-N(4) bond length is 1.34 Å. The C(14)-H(19) bond length is 1.09 Å. In the thirteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(11), one N(4), and one H(20) atom. The C(15)-N(4) bond length is 1.34 Å. The C(15)-H(20) bond length is 1.09 Å. In the fourteenth C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one N(1), and one H(3) atom. The C(1)-N(1) bond length is 1.34 Å. The C(1)-H(3) bond length is 1.09 Å. There are four 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 4-coordinate geometry to one Cd(1), one C(6), one C(7), and one H(1) atom. The N(2)-H(1) bond length is 1.04 Å. In the third N site, N(3) is bonded in a 4-coordinate geometry to one Cd(1), one C(10), one C(9), and one H(2) atom. The N(3)-H(2) bond length is 1.03 Å. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cd(1), one C(14), and one C(15) atom. There are seventeen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(6) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(6) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(7) atom. In the tenth H site, H(13) is bonded in a single-bond geometry to one C(9) atom. In the eleventh H site, H(14) is bonded in a single-bond geometry to one C(9) atom. In the twelfth H site, H(15) is bonded in a single-bond geometry to one C(10) atom. In the thirteenth H site, H(16) is bonded in a single-bond geometry to one C(10) atom. In the fourteenth H site, H(17) is bonded in a single-bond geometry to one C(12) atom. In the fifteenth H site, H(18) is bonded in a single-bond geometry to one C(13) atom. In the sixteenth H site, H(19) is bonded in a single-bond geometry to one C(14) atom. In the seventeenth H site, H(20) is bonded in a single-bond geometry to one C(15) atom. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Cd(1)N4O2 octahedra. The corner-sharing octahedral tilt angles range from 20-54°. The S(1)-O(1) bond length is 1.51 Å. The S(1)-O(2) bond length is 1.49 Å. The S(1)-O(3) bond length is 1.50 Å. The S(1)-O(4) bond length is 1.48 Å. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Cd(1) and one S(1) atom. In the second O site, O(4) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one S(1) atom. In the fourth O site, O(2) is bonded in a single-bond geometry to one S(1) atom. Linkers: 6 C[C@H](CNCc1cccnc1)NCc1cccnc1. Metal clusters: 6 [Cd]. The MOF has largest included sphere 4.35 A, density 1.58 g/cm3, surface area 3945.40 m2/g, accessible volume 0.21 cm3/g