WCu3C27N7H21S3OBr crystallizes in the triclinic P-1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a distorted single-bond geometry to one Cu(1,2); one S(1); one S(3); one S(5,6); and one O(1,2) atom. The W(1)-Cu(1,2) bond length is 2.65 Å. The W(1)-S(1) bond length is 2.29 Å. The W(1)-S(3) bond length is 2.28 Å. The W(1)-S(5,6) bond length is 2.28 Å. The W(1)-O(1,2) bond length is 1.75 Å. In the second W site, W(2) is bonded in a distorted single-bond geometry to one Cu(1,2); one S(2); one S(4); one S(5,6); and one O(1,2) atom. The W(2)-Cu(1,2) bond length is 2.65 Å. The W(2)-S(2) bond length is 2.29 Å. The W(2)-S(4) bond length is 2.28 Å. The W(2)-S(5,6) bond length is 2.28 Å. The W(2)-O(1,2) bond length is 1.75 Å. There are five inequivalent Cu sites. In the first Cu site, Cu(1,2) is bonded in a 4-coordinate geometry to one W(1); one S(1); one S(5,6); and one Br(1) atom. The Cu(1,2)-S(1) bond length is 2.25 Å. The Cu(1,2)-S(5,6) bond length is 2.25 Å. The Cu(1,2)-Br(1) bond length is 2.30 Å. In the second Cu site, Cu(3) is bonded in a 4-coordinate geometry to one N(1), one N(8), one S(1), and one S(3) atom. The Cu(3)-N(1) bond length is 2.09 Å. The Cu(3)-N(8) bond length is 1.99 Å. The Cu(3)-S(1) bond length is 2.28 Å. The Cu(3)-S(3) bond length is 2.28 Å. In the third Cu site, Cu(4) is bonded in a 4-coordinate geometry to one N(2), one N(7), one S(2), and one S(4) atom. The Cu(4)-N(2) bond length is 2.09 Å. The Cu(4)-N(7) bond length is 1.99 Å. The Cu(4)-S(2) bond length is 2.28 Å. The Cu(4)-S(4) bond length is 2.28 Å. In the fourth Cu site, Cu(5) is bonded in a 3-coordinate geometry to one N(12); one S(3); one S(4); and one S(5,6) atom. The Cu(5)-N(12) bond length is 1.94 Å. The Cu(5)-S(3) bond length is 2.26 Å. The Cu(5)-S(4) bond length is 2.87 Å. The Cu(5)-S(5,6) bond length is 2.27 Å. In the fifth Cu site, Cu(6) is bonded in a 3-coordinate geometry to one N(11); one S(3); one S(4); and one S(5,6) atom. The Cu(6)-N(11) bond length is 1.94 Å. The Cu(6)-S(3) bond length is 2.87 Å. The Cu(6)-S(4) bond length is 2.27 Å. The Cu(6)-S(5,6) bond length is 2.27 Å. There are forty-eight inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(5), one C(7), and one N(5) atom. The C(1)-C(5) bond length is 1.41 Å. The C(1)-C(7) bond length is 1.41 Å. The C(1)-N(5) bond length is 1.41 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(6), one C(8), and one N(6) atom. The C(2)-C(6) bond length is 1.41 Å. The C(2)-C(8) bond length is 1.41 Å. The C(2)-N(6) bond length is 1.41 Å. In the third C site, C(3,4) is bonded in a distorted trigonal planar geometry to one C(5); one C(9); and one H(1,2) atom. The C(3,4)-C(5) bond length is 1.39 Å. The C(3,4)-C(9) bond length is 1.40 Å. The C(3,4)-H(1,2) bond length is 1.09 Å. In the fourth C site, C(5) is bonded in a distorted single-bond geometry to one C(1); one C(3,4); and one H(3,4) atom. The C(5)-H(3,4) bond length is 1.09 Å. In the fifth C site, C(6) is bonded in a distorted single-bond geometry to one C(2); one C(3,4); and one H(3,4) atom. The C(6)-C(3,4) bond length is 1.39 Å. The C(6)-H(3,4) bond length is 1.09 Å. In the sixth C site, C(7) is bonded in a distorted single-bond geometry to one C(1) and one H(5,6) atom. The C(7)-H(5,6) bond length is 1.09 Å. In the seventh C site, C(8) is bonded in a distorted single-bond geometry to one C(2) and one H(5,6) atom. The C(8)-H(5,6) bond length is 1.09 Å. In the eighth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(11,12); one C(3,4); and one N(13) atom. The C(9)-C(11,12) bond length is 1.40 Å. The C(9)-N(13) bond length is 1.42 Å. In the ninth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(11,12); one C(3,4); and one N(14) atom. The C(10)-C(11,12) bond length is 1.40 Å. The C(10)-C(3,4) bond length is 1.40 Å. The C(10)-N(14) bond length is 1.42 Å. In the tenth C site, C(11,12) is bonded in a distorted single-bond geometry to one C(9) and one H(7,8) atom. The C(11,12)-H(7,8) bond length is 1.09 Å. In the eleventh C site, C(13) is bonded in a trigonal planar geometry to one N(11); one N(13); and one H(9,10) atom. The C(13)-N(11) bond length is 1.33 Å. The C(13)-N(13) bond length is 1.36 Å. The C(13)-H(9,10) bond length is 1.08 Å. In the twelfth C site, C(14) is bonded in a trigonal planar geometry to one N(12); one N(14); and one H(9,10) atom. The C(14)-N(12) bond length is 1.33 Å. The C(14)-N(14) bond length is 1.36 Å. The C(14)-H(9,10) bond length is 1.08 Å. In the thirteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(53), one N(11), and one H(11) atom. The C(15)-C(53) bond length is 1.37 Å. The C(15)-N(11) bond length is 1.39 Å. The C(15)-H(11) bond length is 1.08 Å. In the fourteenth C site, C(16) is bonded in a distorted bent 120 degrees geometry to one C(54), one N(12), and one H(12) atom. The C(16)-C(54) bond length is 1.37 Å. The C(16)-N(12) bond length is 1.39 Å. The C(16)-H(12) bond length is 1.08 Å. In the fifteenth C site, C(17) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(13) atom. The C(17)-N(1) bond length is 1.33 Å. The C(17)-N(3) bond length is 1.37 Å. The C(17)-H(13) bond length is 1.09 Å. In the sixteenth C site, C(18) is bonded in a trigonal planar geometry to one N(2), one N(4), and one H(14) atom. The C(18)-N(2) bond length is 1.33 Å. The C(18)-N(4) bond length is 1.37 Å. The C(18)-H(14) bond length is 1.09 Å. In the seventeenth C site, C(19) is bonded in a distorted bent 120 degrees geometry to one C(21), one N(1), and one H(15) atom. The C(19)-C(21) bond length is 1.37 Å. The C(19)-N(1) bond length is 1.38 Å. The C(19)-H(15) bond length is 1.08 Å. In the eighteenth C site, C(20) is bonded in a distorted bent 120 degrees geometry to one C(22), one N(2), and one H(16) atom. The C(20)-C(22) bond length is 1.37 Å. The C(20)-N(2) bond length is 1.38 Å. The C(20)-H(16) bond length is 1.08 Å. In the nineteenth C site, C(21) is bonded in a distorted trigonal planar geometry to one C(19), one N(3), and one H(17) atom. The C(21)-N(3) bond length is 1.39 Å. The C(21)-H(17) bond length is 1.08 Å. In the twentieth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(20), one N(4), and one H(18) atom. The C(22)-N(4) bond length is 1.39 Å. The C(22)-H(18) bond length is 1.08 Å. In the twenty-first C site, C(23,24) is bonded in a distorted trigonal planar geometry to one C(25), one C(27), and one N(3) atom. The C(23,24)-C(25) bond length is 1.40 Å. The C(23,24)-C(27) bond length is 1.40 Å. The C(23,24)-N(3) bond length is 1.42 Å. In the twenty-second C site, C(25) is bonded in a distorted single-bond geometry to one C(23,24) and one H(19,20) atom. The C(25)-H(19,20) bond length is 1.09 Å. In the twenty-third C site, C(26) is bonded in a distorted single-bond geometry to one C(23,24) and one H(19,20) atom. The C(26)-C(23,24) bond length is 1.40 Å. The C(26)-H(19,20) bond length is 1.09 Å. In the twenty-fourth C site, C(27) is bonded in a distorted trigonal planar geometry to one C(23,24); one C(29); and one H(21,22) atom. The C(27)-C(29) bond length is 1.39 Å. The C(27)-H(21,22) bond length is 1.09 Å. In the twenty-fifth C site, C(28) is bonded in a distorted trigonal planar geometry to one C(23,24); one C(30); and one H(21,22) atom. The C(28)-C(23,24) bond length is 1.40 Å. The C(28)-C(30) bond length is 1.39 Å. The C(28)-H(21,22) bond length is 1.09 Å. In the twenty-sixth C site, C(29) is bonded in a distorted single-bond geometry to one C(27), one C(33), and one H(23) atom. The C(29)-C(33) bond length is 1.40 Å. The C(29)-H(23) bond length is 1.09 Å. In the twenty-seventh C site, C(30) is bonded in a distorted single-bond geometry to one C(28), one C(34), and one H(24) atom. The C(30)-C(34) bond length is 1.40 Å. The C(30)-H(24) bond length is 1.09 Å. In the twenty-eighth C site, C(31) is bonded in a distorted single-bond geometry to one C(33) and one H(25) atom. The C(31)-C(33) bond length is 1.40 Å. The C(31)-H(25) bond length is 1.09 Å. In the twenty-ninth C site, C(32) is bonded in a distorted single-bond geometry to one C(34) and one H(26) atom. The C(32)-C(34) bond length is 1.40 Å. The C(32)-H(26) bond length is 1.09 Å. In the thirtieth C site, C(33) is bonded in a distorted trigonal planar geometry to one C(29), one C(31), and one N(5) atom. The C(33)-N(5) bond length is 1.41 Å. In the thirty-first C site, C(34) is bonded in a distorted trigonal planar geometry to one C(30), one C(32), and one N(6) atom. The C(34)-N(6) bond length is 1.41 Å. In the thirty-second C site, C(35) is bonded in a distorted trigonal planar geometry to one C(49), one C(51), and one N(5) atom. The C(35)-C(49) bond length is 1.40 Å. The C(35)-C(51) bond length is 1.40 Å. The C(35)-N(5) bond length is 1.41 Å. In the thirty-third C site, C(36) is bonded in a distorted trigonal planar geometry to one C(50), one C(52), and one N(6) atom. The C(36)-C(50) bond length is 1.40 Å. The C(36)-C(52) bond length is 1.40 Å. The C(36)-N(6) bond length is 1.41 Å. In the thirty-fourth C site, C(37,38) is bonded in a distorted bent 120 degrees geometry to one C(41,42); one N(7); and one H(27,28) atom. The C(37,38)-C(41,42) bond length is 1.37 Å. The C(37,38)-N(7) bond length is 1.38 Å. The C(37,38)-H(27,28) bond length is 1.08 Å. In the thirty-fifth C site, C(39,40) is bonded in a trigonal planar geometry to one N(7); one N(9); and one H(29,30) atom. The C(39,40)-N(7) bond length is 1.33 Å. The C(39,40)-N(9) bond length is 1.37 Å. The C(39,40)-H(29,30) bond length is 1.08 Å. In the thirty-sixth C site, C(41,42) is bonded in a distorted bent 120 degrees geometry to one C(37,38); one N(9); and one H(31,32) atom. The C(41,42)-N(9) bond length is 1.39 Å. The C(41,42)-H(31,32) bond length is 1.09 Å. In the thirty-seventh C site, C(43) is bonded in a distorted trigonal planar geometry to one C(45), one C(47), and one N(9) atom. The C(43)-C(45) bond length is 1.40 Å. The C(43)-C(47) bond length is 1.40 Å. The C(43)-N(9) bond length is 1.42 Å. In the thirty-eighth C site, C(44) is bonded in a distorted trigonal planar geometry to one C(46), one C(48), and one N(10) atom. The C(44)-C(46) bond length is 1.40 Å. The C(44)-C(48) bond length is 1.40 Å. The C(44)-N(10) bond length is 1.42 Å. In the thirty-ninth C site, C(45) is bonded in a distorted single-bond geometry to one C(43) and one H(33,34) atom. The C(45)-H(33,34) bond length is 1.09 Å. In the fortieth C site, C(46) is bonded in a distorted single-bond geometry to one C(44) and one H(33,34) atom. The C(46)-H(33,34) bond length is 1.09 Å. In the forty-first C site, C(47) is bonded in a distorted trigonal planar geometry to one C(43), one C(49), and one H(35) atom. The C(47)-C(49) bond length is 1.39 Å. The C(47)-H(35) bond length is 1.09 Å. In the forty-second C site, C(48) is bonded in a distorted single-bond geometry to one C(44), one C(50), and one H(36) atom. The C(48)-C(50) bond length is 1.39 Å. The C(48)-H(36) bond length is 1.09 Å. In the forty-third C site, C(49) is bonded in a distorted single-bond geometry to one C(35), one C(47), and one H(37) atom. The C(49)-H(37) bond length is 1.09 Å. In the forty-fourth C site, C(50) is bonded in a distorted single-bond geometry to one C(36), one C(48), and one H(38) atom. The C(50)-H(38) bond length is 1.09 Å. In the forty-fifth C site, C(51) is bonded in a distorted single-bond geometry to one C(35) and one H(39,40) atom. The C(51)-H(39,40) bond length is 1.09 Å. In the forty-sixth C site, C(52) is bonded in a distorted single-bond geometry to one C(36) and one H(39,40) atom. The C(52)-H(39,40) bond length is 1.09 Å. In the forty-seventh C site, C(53) is bonded in a distorted trigonal planar geometry to one C(15), one N(13), and one H(41) atom. The C(53)-N(13) bond length is 1.39 Å. The C(53)-H(41) bond length is 1.08 Å. In the forty-eighth C site, C(54) is bonded in a distorted trigonal planar geometry to one C(16), one N(14), and one H(42) atom. The C(54)-N(14) bond length is 1.39 Å. The C(54)-H(42) bond length is 1.08 Å. There are fourteen inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(3), one C(17), and one C(19) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(4), one C(18), and one C(20) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(17); one C(21); and one C(23,24) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one C(18); one C(22); and one C(23,24) atom. The N(4)-C(23,24) bond length is 1.42 Å. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one C(1), one C(33), and one C(35) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one C(2), one C(34), and one C(36) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Cu(4); one C(37,38); and one C(39,40) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Cu(3); one C(37,38); and one C(39,40) atom. The N(8)-C(37,38) bond length is 1.38 Å. The N(8)-C(39,40) bond length is 1.33 Å. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one C(39,40); one C(41,42); and one C(43) atom. In the tenth N site, N(10) is bonded in a trigonal planar geometry to one C(39,40); one C(41,42); and one C(44) atom. The N(10)-C(39,40) bond length is 1.37 Å. The N(10)-C(41,42) bond length is 1.39 Å. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Cu(6), one C(13), and one C(15) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Cu(5), one C(14), and one C(16) atom. In the thirteenth N site, N(13) is bonded in a trigonal planar geometry to one C(13), one C(53), and one C(9) atom. In the fourteenth N site, N(14) is bonded in a trigonal planar geometry to one C(10), one C(14), and one C(54) atom. There are thirty inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(3,4) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(5) atom. In the third H site, H(5,6) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(7,8) is bonded in a single-bond geometry to one C(11,12) atom. In the fifth H site, H(9,10) is bonded in a single-bond geometry to one C(13) atom. In the sixth H site, H(11) is bonded in a single-bond geometry to one C(15) atom. In the seventh H site, H(12) is bonded in a single-bond geometry to one C(16) atom. In the eighth H site, H(13) is bonded in a single-bond geometry to one C(17) atom. In the ninth H site, H(14) is bonded in a single-bond geometry to one C(18) atom. In the tenth H site, H(15) is bonded in a single-bond geometry to one C(19) atom. In the eleventh H site, H(16) is bonded in a single-bond geometry to one C(20) atom. In the twelfth H site, H(17) is bonded in a single-bond geometry to one C(21) atom. In the thirteenth H site, H(18) is bonded in a single-bond geometry to one C(22) atom. In the fourteenth H site, H(19,20) is bonded in a single-bond geometry to one C(25) atom. In the fifteenth H site, H(21,22) is bonded in a single-bond geometry to one C(27) atom. In the sixteenth H site, H(23) is bonded in a single-bond geometry to one C(29) atom. In the seventeenth H site, H(24) is bonded in a single-bond geometry to one C(30) atom. In the eighteenth H site, H(25) is bonded in a single-bond geometry to one C(31) atom. In the nineteenth H site, H(26) is bonded in a single-bond geometry to one C(32) atom. In the twentieth H site, H(27,28) is bonded in a single-bond geometry to one C(37,38) atom. In the twenty-first H site, H(29,30) is bonded in a single-bond geometry to one C(39,40) atom. In the twenty-second H site, H(31,32) is bonded in a single-bond geometry to one C(41,42) atom. In the twenty-third H site, H(33,34) is bonded in a single-bond geometry to one C(45) atom. In the twenty-fourth H site, H(35) is bonded in a single-bond geometry to one C(47) atom. In the twenty-fifth H site, H(36) is bonded in a single-bond geometry to one C(48) atom. In the twenty-sixth H site, H(37) is bonded in a single-bond geometry to one C(49) atom. In the twenty-seventh H site, H(38) is bonded in a single-bond geometry to one C(50) atom. In the twenty-eighth H site, H(39,40) is bonded in a single-bond geometry to one C(51) atom. In the twenty-ninth H site, H(41) is bonded in a single-bond geometry to one C(53) atom. In the thirtieth H site, H(42) is bonded in a single-bond geometry to one C(54) atom. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one W(1); one Cu(1,2); and one Cu(3) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one W(2); one Cu(1,2); and one Cu(4) atom. The S(2)-Cu(1,2) bond length is 2.25 Å. In the third S site, S(3) is bonded in a 4-coordinate geometry to one W(1), one Cu(3), one Cu(5), and one Cu(6) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one W(2), one Cu(4), one Cu(5), and one Cu(6) atom. In the fifth S site, S(5,6) is bonded in a 3-coordinate geometry to one W(1); one Cu(1,2); and one Cu(5) atom. O(1,2) is bonded in a single-bond geometry to one W(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Cu(1,2) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Cu(1,2) atom. The Br(2)-Cu(1,2) bond length is 2.30 Å. Linkers: 4 c1cn(-c2ccc(N(c3ccc(-n4ccnc4)cc3)c3ccc(-n4ccnc4)cc3)cc2)cn1. Metal clusters: 2 [O][W]1234[S]5[Cu][S]1[Cu@]2(Br)[S]3[Cu]54 ,2 [O][W]1234[S]5[Cu][S]1[Cu@@]2(Br)[S]3[Cu]54. The MOF has largest included sphere 7.18 A, density 1.65 g/cm3, surface area 3348.68 m2/g, accessible volume 0.24 cm3/g