KCu6C27N7H28S3O6 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 6-coordinate geometry to one S(1), one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The K(1)-S(1) bond length is 3.25 Å. The K(1)-O(1) bond length is 2.83 Å. The K(1)-O(2) bond length is 2.91 Å. The K(1)-O(3) bond length is 2.80 Å. The K(1)-O(4) bond length is 2.90 Å. The K(1)-O(5) bond length is 2.88 Å. The K(1)-O(6) bond length is 2.76 Å. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted tetrahedral geometry to one C(21), one C(22), one N(6), and one S(1) atom. The Cu(1)-C(21) bond length is 2.36 Å. The Cu(1)-C(22) bond length is 2.00 Å. The Cu(1)-N(6) bond length is 1.93 Å. The Cu(1)-S(1) bond length is 2.31 Å. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one C(21), one C(22), one N(4), and one S(2) atom. The Cu(2)-C(21) bond length is 1.95 Å. The Cu(2)-C(22) bond length is 2.13 Å. The Cu(2)-N(4) bond length is 1.94 Å. The Cu(2)-S(2) bond length is 2.43 Å. In the third Cu site, Cu(3) is bonded in a trigonal planar geometry to one C(24), one C(25), and one C(26) atom. The Cu(3)-C(24) bond length is 1.92 Å. The Cu(3)-C(25) bond length is 1.90 Å. The Cu(3)-C(26) bond length is 1.90 Å. In the fourth Cu site, Cu(4) is bonded in a trigonal planar geometry to one C(27), one N(1), and one N(5) atom. The Cu(4)-C(27) bond length is 1.86 Å. The Cu(4)-N(1) bond length is 1.96 Å. The Cu(4)-N(5) bond length is 1.93 Å. In the fifth Cu site, Cu(5) is bonded to one C(23), one N(2), and two equivalent S(3) atoms to form distorted edge-sharing CuCS2N trigonal pyramids. The Cu(5)-C(23) bond length is 1.84 Å. The Cu(5)-N(2) bond length is 1.90 Å. There is one shorter (2.43 Å) and one longer (2.79 Å) Cu(5)-S(3) bond length. In the sixth Cu site, Cu(6) is bonded in a 2-coordinate geometry to one C(24), one N(3), and one N(7) atom. The Cu(6)-C(24) bond length is 2.33 Å. The Cu(6)-N(3) bond length is 1.93 Å. The Cu(6)-N(7) bond length is 1.92 Å. There are twenty-seven inequivalent C sites. In the first C site, C(1) is bonded in a water-like geometry to one H(1), one H(2), and one S(1) atom. The C(1)-H(1) bond length is 0.97 Å. The C(1)-H(2) bond length is 0.97 Å. The C(1)-S(1) bond length is 1.81 Å. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one H(3), one H(4), and one O(1) atom. The C(2)-H(3) bond length is 0.97 Å. The C(2)-H(4) bond length is 0.97 Å. The C(2)-O(1) bond length is 1.41 Å. In the third C site, C(3) is bonded in a single-bond geometry to one O(1) atom. The C(3)-O(1) bond length is 1.41 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one O(2) atom. The C(4)-O(2) bond length is 1.41 Å. In the fifth C site, C(5) is bonded in a single-bond geometry to one O(2) atom. The C(5)-O(2) bond length is 1.42 Å. In the sixth C site, C(6) is bonded in a distorted single-bond geometry to one C(8) and one O(2) atom. The C(6)-C(8) bond length is 1.50 Å. The C(6)-O(2) bond length is 1.42 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(8) and one O(2) atom. The C(7)-C(8) bond length is 1.50 Å. The C(7)-O(2) bond length is 1.41 Å. In the eighth C site, C(8) is bonded in a 3-coordinate geometry to one C(6), one C(7), and one S(2) atom. The C(8)-S(2) bond length is 1.81 Å. In the ninth C site, C(9) is bonded in a water-like geometry to one H(5), one H(6), and one S(2) atom. The C(9)-H(5) bond length is 0.97 Å. The C(9)-H(6) bond length is 0.97 Å. The C(9)-S(2) bond length is 1.81 Å. In the tenth C site, C(10) is bonded in a distorted trigonal non-coplanar geometry to two equivalent H(7,8) and one O(3) atom. Both C(10)-H(7,8) bond lengths are 0.97 Å. The C(10)-O(3) bond length is 1.41 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal non-coplanar geometry to two equivalent H(9,10) and one O(3) atom. Both C(11)-H(9,10) bond lengths are 0.97 Å. The C(11)-O(3) bond length is 1.41 Å. In the twelfth C site, C(12) is bonded in a distorted trigonal non-coplanar geometry to one H(11), one H(12), and one O(4) atom. The C(12)-H(11) bond length is 0.97 Å. The C(12)-H(12) bond length is 0.97 Å. The C(12)-O(4) bond length is 1.41 Å. In the thirteenth C site, C(13) is bonded in a distorted trigonal non-coplanar geometry to one H(13), one H(14), and one O(4) atom. The C(13)-H(13) bond length is 0.97 Å. The C(13)-H(14) bond length is 0.97 Å. The C(13)-O(4) bond length is 1.41 Å. In the fourteenth C site, C(14) is bonded in a water-like geometry to one H(15), one H(16), and one S(1) atom. The C(14)-H(15) bond length is 0.97 Å. The C(14)-H(16) bond length is 0.97 Å. The C(14)-S(1) bond length is 1.81 Å. In the fifteenth C site, C(15) is bonded in a water-like geometry to two equivalent H(17,18) and one S(3) atom. Both C(15)-H(17,18) bond lengths are 0.97 Å. The C(15)-S(3) bond length is 1.81 Å. In the sixteenth C site, C(16) is bonded in a distorted trigonal non-coplanar geometry to one H(19), one H(20), and one O(5) atom. The C(16)-H(19) bond length is 0.97 Å. The C(16)-H(20) bond length is 0.97 Å. The C(16)-O(5) bond length is 1.41 Å. In the seventeenth C site, C(17) is bonded in a distorted trigonal non-coplanar geometry to one H(21), one H(22), and one O(5) atom. The C(17)-H(21) bond length is 0.97 Å. The C(17)-H(22) bond length is 0.97 Å. The C(17)-O(5) bond length is 1.41 Å. In the eighteenth C site, C(18) is bonded in a distorted trigonal non-coplanar geometry to one H(23,26); one H(24,25); and one O(6) atom. The C(18)-H(23,26) bond length is 0.97 Å. The C(18)-H(24,25) bond length is 0.97 Å. The C(18)-O(6) bond length is 1.41 Å. In the nineteenth C site, C(19) is bonded in a distorted trigonal non-coplanar geometry to one H(23,26); one H(24,25); and one O(6) atom. The C(19)-H(23,26) bond length is 0.97 Å. The C(19)-H(24,25) bond length is 0.97 Å. The C(19)-O(6) bond length is 1.42 Å. In the twentieth C site, C(20) is bonded in a water-like geometry to two equivalent H(27,28) and one S(3) atom. Both C(20)-H(27,28) bond lengths are 0.97 Å. The C(20)-S(3) bond length is 1.81 Å. In the twenty-first C site, C(21) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one N(1) atom. The C(21)-N(1) bond length is 1.14 Å. In the twenty-second C site, C(22) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one N(2) atom. The C(22)-N(2) bond length is 1.13 Å. In the twenty-third C site, C(23) is bonded in a linear geometry to one Cu(5) and one N(3) atom. The C(23)-N(3) bond length is 1.14 Å. In the twenty-fourth C site, C(24) is bonded in a 3-coordinate geometry to one Cu(3), one Cu(6), and one N(4) atom. The C(24)-N(4) bond length is 1.14 Å. In the twenty-fifth C site, C(25) is bonded in a linear geometry to one Cu(3) and one N(5) atom. The C(25)-N(5) bond length is 1.14 Å. In the twenty-sixth C site, C(26) is bonded in a distorted linear geometry to one Cu(3) and one N(6) atom. The C(26)-N(6) bond length is 1.15 Å. In the twenty-seventh C site, C(27) is bonded in a linear geometry to one Cu(4) and one N(7) atom. The C(27)-N(7) bond length is 1.16 Å. There are seven inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Cu(4) and one C(21) atom. In the second N site, N(2) is bonded in a distorted linear geometry to one Cu(5) and one C(22) atom. In the third N site, N(3) is bonded in a linear geometry to one Cu(6) and one C(23) atom. In the fourth N site, N(4) is bonded in a linear geometry to one Cu(2) and one C(24) atom. In the fifth N site, N(5) is bonded in a linear geometry to one Cu(4) and one C(25) atom. In the sixth N site, N(6) is bonded in a linear geometry to one Cu(1) and one C(26) atom. In the seventh N site, N(7) is bonded in a linear geometry to one Cu(6) and one C(27) 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(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(2) 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(9) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(7,8) is bonded in a single-bond geometry to one C(10) atom. In the eighth H site, H(9,10) is bonded in a single-bond geometry to one C(11) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(12) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one C(12) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one C(13) atom. In the twelfth H site, H(14) is bonded in a single-bond geometry to one C(13) atom. In the thirteenth H site, H(15) is bonded in a single-bond geometry to one C(14) atom. In the fourteenth H site, H(16) is bonded in a single-bond geometry to one C(14) atom. In the fifteenth H site, H(17,18) is bonded in a single-bond geometry to one C(15) atom. In the sixteenth H site, H(19) is bonded in a single-bond geometry to one C(16) atom. In the seventeenth H site, H(20) is bonded in a single-bond geometry to one C(16) atom. In the eighteenth H site, H(21) is bonded in a single-bond geometry to one C(17) atom. In the nineteenth H site, H(22) is bonded in a single-bond geometry to one C(17) atom. In the twentieth H site, H(23,26) is bonded in a single-bond geometry to one C(18) atom. In the twenty-first H site, H(24,25) is bonded in a single-bond geometry to one C(18) atom. In the twenty-second H site, H(27,28) is bonded in a single-bond geometry to one C(20) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Cu(1), one C(1), and one C(14) atom. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(2), one C(8), and one C(9) atom. In the third S site, S(3) is bonded to two equivalent Cu(5), one C(15), and one C(20) atom to form edge-sharing SCu2C2 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(1), one C(2), and one C(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(1), one C(4), one C(5), one C(6), and one C(7) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(1), one C(10), and one C(11) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one K(1), one C(12), and one C(13) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one K(1), one C(16), and one C(17) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one C(18), and one C(19) atom. Linkers: 6 C1COCCSCCOCCOCCSCCO1 ,8 [C][C]1[C]O[C]2[C](OCCSCCOCCOCC[S])[C]12. Metal clusters: 8 [K] ,48 [Cu]. The MOF has largest included sphere 4.69 A, density 1.74 g/cm3, surface area 3721.16 m2/g, accessible volume 0.18 cm3/g