(CH)4CdC60H64S4Br2(NO)4 crystallizes in the monoclinic C2/c space group. The structure consists of sixteen 02329_fluka molecules inside a CdC60H64S4Br2(NO)4 framework. In the CdC60H64S4Br2(NO)4 framework, Cd(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent Br(1) atoms. Both Cd(1)-N(1) bond lengths are 2.41 Å. Both Cd(1)-N(2) bond lengths are 2.40 Å. Both Cd(1)-Br(1) bond lengths are 2.71 Å. There are thirty inequivalent C sites. In the first C site, C(7) is bonded in a distorted trigonal non-coplanar geometry to one C(8), one H(3), one H(4), and one O(1) atom. The C(7)-C(8) bond length is 1.51 Å. The C(7)-H(3) bond length is 0.99 Å. The C(7)-H(4) bond length is 0.99 Å. The C(7)-O(1) bond length is 1.46 Å. In the second C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(6), and one S(2) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-C(6) bond length is 1.40 Å. The C(1)-S(2) bond length is 1.77 Å. In the third C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(3), and one O(1) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-O(1) bond length is 1.38 Å. In the fourth C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one S(1) atom. The C(3)-C(4) bond length is 1.40 Å. The C(3)-S(1) bond length is 1.77 Å. In the fifth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(1) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-H(1) bond length is 0.95 Å. In the sixth C site, C(5) is bonded in a trigonal planar geometry to one C(13), one C(4), and one C(6) atom. The C(5)-C(13) bond length is 1.54 Å. The C(5)-C(6) bond length is 1.37 Å. In the seventh C site, C(6) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(2) atom. The C(6)-H(2) bond length is 0.95 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one C(12), one C(7), and one C(9) atom. The C(8)-C(12) bond length is 1.36 Å. The C(8)-C(9) bond length is 1.38 Å. In the ninth C site, C(9) is bonded in a distorted bent 120 degrees geometry to one C(8), one N(1), and one H(5) atom. The C(9)-N(1) bond length is 1.35 Å. The C(9)-H(5) bond length is 0.95 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(6) atom. The C(10)-N(1) bond length is 1.33 Å. The C(10)-H(6) bond length is 0.95 Å. In the eleventh C site, C(12) is bonded in a distorted single-bond geometry to one C(8) and one H(8) atom. The C(12)-H(8) bond length is 0.95 Å. In the twelfth C site, C(13) is bonded in a tetrahedral geometry to one C(14), one C(15), one C(16), and one C(5) atom. The C(13)-C(14) bond length is 1.52 Å. The C(13)-C(15) bond length is 1.54 Å. The C(13)-C(16) bond length is 1.54 Å. In the thirteenth C site, C(14) is bonded in a trigonal non-coplanar geometry to one C(13); one H(10); one H(11,13,15,16); and one H(9,17) atom. The C(14)-H(10) bond length is 0.98 Å. The C(14)-H(11,13,15,16) bond length is 0.98 Å. The C(14)-H(9,17) bond length is 0.98 Å. In the fourteenth C site, C(15) is bonded in a trigonal non-coplanar geometry to one C(13); one H(11,13,15,16); one H(12); and one H(14) atom. The C(15)-H(11,13,15,16) bond length is 0.98 Å. The C(15)-H(12) bond length is 0.98 Å. The C(15)-H(14) bond length is 0.98 Å. In the fifteenth C site, C(16) is bonded in a trigonal non-coplanar geometry to one C(13); one H(9,17); and two equivalent H(11,13,15,16) atoms. The C(16)-H(9,17) bond length is 0.98 Å. Both C(16)-H(11,13,15,16) bond lengths are 0.98 Å. In the sixteenth C site, C(17) is bonded in a trigonal planar geometry to one C(18), one C(22), and one S(1) atom. The C(17)-C(18) bond length is 1.39 Å. The C(17)-C(22) bond length is 1.39 Å. The C(17)-S(1) bond length is 1.78 Å. In the seventeenth C site, C(18) is bonded in a distorted single-bond geometry to one C(17), one C(19), and one O(2) atom. The C(18)-C(19) bond length is 1.40 Å. The C(18)-O(2) bond length is 1.38 Å. In the eighteenth C site, C(19) is bonded in a trigonal planar geometry to one C(18), one C(20), and one S(3) atom. The C(19)-C(20) bond length is 1.38 Å. The C(19)-S(3) bond length is 1.78 Å. In the nineteenth C site, C(20) is bonded in a distorted single-bond geometry to one C(19), one C(21), and one H(18) atom. The C(20)-C(21) bond length is 1.40 Å. The C(20)-H(18) bond length is 0.95 Å. In the twentieth C site, C(21) is bonded in a trigonal planar geometry to one C(20), one C(22), and one C(29) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-C(29) bond length is 1.53 Å. In the twenty-first C site, C(22) is bonded in a single-bond geometry to one C(17), one C(21), and one H(19) atom. The C(22)-H(19) bond length is 0.95 Å. In the twenty-second C site, C(23) is bonded in a distorted trigonal non-coplanar geometry to one C(24); two equivalent H(20,21); and one O(2) atom. The C(23)-C(24) bond length is 1.50 Å. Both C(23)-H(20,21) bond lengths are 0.99 Å. The C(23)-O(2) bond length is 1.44 Å. In the twenty-third C site, C(24) is bonded in a trigonal planar geometry to one C(23), one C(25), and one C(28) atom. The C(24)-C(25) bond length is 1.37 Å. The C(24)-C(28) bond length is 1.38 Å. In the twenty-fourth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(24), one N(2), and one H(22) atom. The C(25)-N(2) bond length is 1.35 Å. The C(25)-H(22) bond length is 0.95 Å. In the twenty-fifth C site, C(26) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(23) atom. The C(26)-N(2) bond length is 1.34 Å. The C(26)-H(23) bond length is 0.95 Å. In the twenty-sixth C site, C(28) is bonded in a distorted single-bond geometry to one C(24) and one H(25) atom. The C(28)-H(25) bond length is 0.95 Å. In the twenty-seventh C site, C(29) is bonded in a tetrahedral geometry to one C(21), one C(30), one C(31), and one C(32) atom. The C(29)-C(30) bond length is 1.53 Å. The C(29)-C(31) bond length is 1.47 Å. The C(29)-C(32) bond length is 1.49 Å. In the twenty-eighth C site, C(30) is bonded in a trigonal non-coplanar geometry to one C(29); one H(26,30); one H(27,29,31); and one H(28,34) atom. The C(30)-H(26,30) bond length is 0.98 Å. The C(30)-H(27,29,31) bond length is 0.98 Å. The C(30)-H(28,34) bond length is 0.98 Å. In the twenty-ninth C site, C(31) is bonded in a trigonal non-coplanar geometry to one C(29); one H(26,30); and two equivalent H(27,29,31) atoms. The C(31)-H(26,30) bond length is 0.98 Å. Both C(31)-H(27,29,31) bond lengths are 0.98 Å. In the thirtieth C site, C(32) is bonded in a trigonal non-coplanar geometry to one C(29); one H(28,34); and two equivalent H(32,33) atoms. The C(32)-H(28,34) bond length is 0.98 Å. Both C(32)-H(32,33) bond lengths are 0.98 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cd(1), one C(10), and one C(9) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cd(1), one C(25), and one C(26) atom. There are twenty-two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(6) 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(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(12) atom. In the eighth H site, H(9,17) is bonded in a single-bond geometry to one C(14) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(14) atom. In the tenth H site, H(11,13,15,16) is bonded in a single-bond geometry to one C(14) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one C(15) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one C(15) atom. In the thirteenth H site, H(18) is bonded in a single-bond geometry to one C(20) atom. In the fourteenth H site, H(19) is bonded in a single-bond geometry to one C(22) atom. In the fifteenth H site, H(20,21) is bonded in a single-bond geometry to one C(23) atom. In the sixteenth H site, H(22) is bonded in a single-bond geometry to one C(25) atom. In the seventeenth H site, H(23) is bonded in a single-bond geometry to one C(26) atom. In the eighteenth H site, H(25) is bonded in a single-bond geometry to one C(28) atom. In the nineteenth H site, H(26,30) is bonded in a single-bond geometry to one C(30) atom. In the twentieth H site, H(27,29,31) is bonded in a single-bond geometry to one C(30) atom. In the twenty-first H site, H(28,34) is bonded in a single-bond geometry to one C(30) atom. In the twenty-second H site, H(32,33) is bonded in a single-bond geometry to one C(32) atom. There are three inequivalent S sites. In the first S site, S(2) is bonded in a water-like geometry to two equivalent C(1) atoms. In the second S site, S(3) is bonded in a water-like geometry to two equivalent C(19) atoms. In the third S site, S(1) is bonded in a water-like geometry to one C(17) and one C(3) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one C(2) and one C(7) atom. In the second O site, O(2) is bonded in a water-like geometry to one C(18) and one C(23) atom. Br(1) is bonded in a single-bond geometry to one Cd(1) atom. Linkers: 5 CC(C)(C)c1cc2c(OCc3cccnc3)c(c1)Sc1cc(C(C)(C)C)cc(c1OCc1cccnc1)Sc1cc(C(C)(C)C)cc(c1OCc1cccnc1)Sc1cc(C(C)(C)C)cc(c1OCc1cccnc1)S2. Metal clusters: 4 Br[Cd]Br. The MOF has largest included sphere 5.86 A, density 1.13 g/cm3, surface area 4956.32 m2/g, accessible volume 0.38 cm3/g