(CuC12H17SI)2Si2C4H8O3 is Fluorite structured and crystallizes in the tetragonal I4/m space group. The structure is zero-dimensional and consists of two perethyloctasilsesquioxane molecules and four CuC12H17SI clusters. In each CuC12H17SI cluster, Cu(1) is bonded in a 4-coordinate geometry to one S(1) and three equivalent I(1) atoms. The Cu(1)-S(1) bond length is 2.27 Å. There is one shorter (2.68 Å) and two longer (2.70 Å) Cu(1)-I(1) bond lengths. There are twelve inequivalent C sites. In the first C site, C(4) is bonded in a trigonal planar geometry to one C(5), one C(9), and one S(1) atom. The C(4)-C(5) bond length is 1.40 Å. The C(4)-C(9) bond length is 1.41 Å. The C(4)-S(1) bond length is 1.78 Å. In the second C site, C(5) is bonded in a distorted single-bond geometry to one C(4), one C(6), and one H(7) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-H(7) bond length is 1.09 Å. In the third C site, C(6) is bonded in a trigonal planar geometry to one C(11), one C(5), and one C(7) atom. The C(6)-C(11) bond length is 1.53 Å. The C(6)-C(7) bond length is 1.40 Å. In the fourth C site, C(7) is bonded in a distorted single-bond geometry to one C(6) and one H(8) atom. The C(7)-H(8) bond length is 1.09 Å. In the fifth C site, C(8) is bonded in a distorted single-bond geometry to one C(9) and one H(9) atom. The C(8)-C(9) bond length is 1.40 Å. The C(8)-H(9) bond length is 1.09 Å. In the sixth C site, C(9) is bonded in a trigonal planar geometry to one C(10), one C(4), and one C(8) atom. The C(9)-C(10) bond length is 1.50 Å. In the seventh C site, C(10) is bonded in a distorted trigonal non-coplanar geometry to one C(9), one H(10), one H(11), and one H(12) atom. The C(10)-H(10) bond length is 1.10 Å. The C(10)-H(11) bond length is 1.10 Å. The C(10)-H(12) bond length is 1.10 Å. In the eighth C site, C(11) is bonded in a tetrahedral geometry to one C(12), one C(13), one C(14), and one C(6) atom. The C(11)-C(12) bond length is 1.54 Å. The C(11)-C(13) bond length is 1.54 Å. The C(11)-C(14) bond length is 1.54 Å. In the ninth C site, C(12) is bonded in a trigonal non-coplanar geometry to one C(11), one H(13), one H(14), and one H(15) atom. The C(12)-H(13) bond length is 1.10 Å. The C(12)-H(14) bond length is 1.10 Å. The C(12)-H(15) bond length is 1.10 Å. In the tenth C site, C(13) is bonded in a trigonal non-coplanar geometry to one C(11), one H(16), one H(17), and one H(18) atom. The C(13)-H(16) bond length is 1.10 Å. The C(13)-H(17) bond length is 1.10 Å. The C(13)-H(18) bond length is 1.10 Å. In the eleventh C site, C(14) is bonded in a trigonal non-coplanar geometry to one C(11); one H(21); and two equivalent H(19,20) atoms. The C(14)-H(21) bond length is 1.10 Å. Both C(14)-H(19,20) bond lengths are 1.10 Å. In the twelfth C site, C(1) is bonded in a distorted water-like geometry to one H(1), one H(2), and one S(1) atom. The C(1)-H(1) bond length is 1.10 Å. The C(1)-H(2) bond length is 1.10 Å. The C(1)-S(1) bond length is 1.82 Å. There are sixteen inequivalent H sites. In the first H site, H(13) is bonded in a single-bond geometry to one C(12) atom. In the second H site, H(14) is bonded in a single-bond geometry to one C(12) atom. In the third H site, H(15) is bonded in a single-bond geometry to one C(12) atom. In the fourth H site, H(16) is bonded in a single-bond geometry to one C(13) atom. In the fifth H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the sixth H site, H(17) is bonded in a single-bond geometry to one C(13) atom. In the seventh H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the eighth H site, H(18) is bonded in a single-bond geometry to one C(13) atom. In the ninth H site, H(19,20) is bonded in a single-bond geometry to one C(14) atom. In the tenth H site, H(21) is bonded in a single-bond geometry to one C(14) atom. In the eleventh H site, H(7) is bonded in a single-bond geometry to one C(5) atom. In the twelfth H site, H(8) is bonded in a single-bond geometry to one C(7) atom. In the thirteenth H site, H(9) is bonded in a single-bond geometry to one C(8) atom. In the fourteenth H site, H(10) is bonded in a single-bond geometry to one C(10) atom. In the fifteenth H site, H(11) is bonded in a single-bond geometry to one C(10) atom. In the sixteenth H site, H(12) is bonded in a single-bond geometry to one C(10) atom. S(1) is bonded in a trigonal non-coplanar geometry to one Cu(1), one C(1), and one C(4) atom. I(1) is bonded in a 3-coordinate geometry to three equivalent Cu(1) atoms. Linkers: 1 [CH2][C](C)c1[c]cc(C)c(S[CH]CC[Si@@]23O[Si@@]4(CC[CH]Sc5cc([C]([CH2])C)ccc5C)O[Si@@]5(CCCSc6cc(C(C)(C)C)ccc6C)O[Si@@](CCCSc6cc([C](C)C)[c]cc6C)(O2)O[Si@@]2(CCCSc6cc(C(C)(C)C)ccc6C)O[Si@@](CCCSc6cc(C(C)(C)C)ccc6C)(O3)O[Si@@](CCCSc3cc(C(C)(C)C)ccc3C)(O4)O[Si@@](CCCSc3cc(C(C)(C)C)ccc3C)(O5)O2)c1 ,4 [CH2][C](C)c1ccc(C)c(S[CH]CC[Si@@]23O[Si@@]4(CCCSc5cc([C](C)C)[c]cc5C)O[Si@@]5(CCCSc6cc(C(C)(C)C)ccc6C)O[Si@@](CCCSc6cc(C(C)(C)C)ccc6C)(O2)O[Si@@]2(CCCSc6cc(C(C)(C)C)ccc6C)O[Si@@](CCCSc6cc(C(C)(C)C)ccc6C)(O3)O[Si@@](CCCSc3cc(C(C)(C)C)ccc3C)(O4)O[Si@](CCCSc3cc(C(C)(C)C)ccc3C)(O2)O5)c1 ,1 Cc1ccc(C(C)(C)C)cc1SCCC[Si@]12O[Si@]3(CCCSc4cc(C(C)(C)C)ccc4C)O[Si@@]4(CCCSc5cc(C(C)(C)C)ccc5C)O[Si@@]5(CCCSc6cc(C(C)(C)C)ccc6C)O[Si@@](CCCSc6cc(C(C)(C)C)ccc6C)(O3)O[Si@](CCCSc3cc(C(C)(C)C)ccc3C)(O[Si@](CCCSc3cc(C(C)(C)C)ccc3C)(O5)O[Si@@](CCCSc3cc(C(C)(C)C)ccc3C)(O1)O4)O2 ,1 [CH2][C](C)c1[c]cc(C)c(S[CH]CC[Si@@]23O[Si@@]4(CC[CH]Sc5cc([C]([CH2])C)ccc5C)O[Si@@]5(CCCSc6cc(C(C)(C)C)ccc6C)O[Si@@](CCCSc6cc(C(C)(C)C)ccc6C)(O2)O[Si@@]2(CCCSc6cc(C(C)(C)C)ccc6C)O[Si@@](CCCSc6cc([C](C)C)[c]cc6C)(O3)O[Si@@](CCCSc3cc(C(C)(C)C)ccc3C)(O4)O[Si@@](CCCSc3cc(C(C)(C)C)ccc3C)(O5)O2)c1. Metal clusters: 8 [Cu]. The MOF has largest included sphere 5.32 A, density 1.54 g/cm3, surface area 4048.16 m2/g, accessible volume 0.25 cm3/g