(CH)3Hg2C29H31S4(NCl2)2 crystallizes in the triclinic P-1 space group. The structure consists of twelve 02329_fluka molecules inside a Hg2C29H31S4(NCl2)2 framework. In the Hg2C29H31S4(NCl2)2 framework, there are four inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted trigonal pyramidal geometry to one N(1), one Cl(1), one Cl(3), and one Cl(5) atom. The Hg(1)-N(1) bond length is 2.54 Å. The Hg(1)-Cl(1) bond length is 2.40 Å. The Hg(1)-Cl(3) bond length is 2.39 Å. The Hg(1)-Cl(5) bond length is 2.87 Å. In the second Hg site, Hg(2) is bonded in a distorted trigonal pyramidal geometry to one N(2), one Cl(2), one Cl(4), and one Cl(6) atom. The Hg(2)-N(2) bond length is 2.54 Å. The Hg(2)-Cl(2) bond length is 2.40 Å. The Hg(2)-Cl(4) bond length is 2.39 Å. The Hg(2)-Cl(6) bond length is 2.87 Å. In the third Hg site, Hg(3) is bonded in a 3-coordinate geometry to one N(3), one Cl(7), and two equivalent Cl(5) atoms. The Hg(3)-N(3) bond length is 2.30 Å. The Hg(3)-Cl(7) bond length is 2.42 Å. There is one shorter (2.64 Å) and one longer (3.06 Å) Hg(3)-Cl(5) bond length. In the fourth Hg site, Hg(4) is bonded in a 3-coordinate geometry to one N(4), one Cl(8), and two equivalent Cl(6) atoms. The Hg(4)-N(4) bond length is 2.30 Å. The Hg(4)-Cl(8) bond length is 2.42 Å. There is one shorter (2.64 Å) and one longer (3.06 Å) Hg(4)-Cl(6) bond length. There are forty-six inequivalent C sites. In the first C site, C(1,2) is bonded in a trigonal planar geometry to one C(11,12); one C(3); and one S(1) atom. The C(1,2)-C(11,12) bond length is 1.40 Å. The C(1,2)-C(3) bond length is 1.41 Å. The C(1,2)-S(1) bond length is 1.78 Å. In the second C site, C(3) is bonded in a trigonal planar geometry to one C(1,2); one C(5,6); and one S(3,4) atom. The C(3)-C(5,6) bond length is 1.42 Å. The C(3)-S(3,4) bond length is 1.76 Å. In the third C site, C(4) is bonded in a trigonal planar geometry to one C(1,2); one C(5,6); and one S(3,4) atom. The C(4)-C(1,2) bond length is 1.41 Å. The C(4)-C(5,6) bond length is 1.42 Å. The C(4)-S(3,4) bond length is 1.76 Å. In the fourth C site, C(5,6) is bonded in a trigonal planar geometry to one C(3), one C(7), and one S(5) atom. The C(5,6)-C(7) bond length is 1.39 Å. The C(5,6)-S(5) bond length is 1.79 Å. In the fifth C site, C(7) is bonded in a distorted single-bond geometry to one C(5,6); one C(9,10); and one H(1,2) atom. The C(7)-C(9,10) bond length is 1.40 Å. The C(7)-H(1,2) bond length is 1.09 Å. In the sixth C site, C(8) is bonded in a distorted single-bond geometry to one C(5,6); one C(9,10); and one H(1,2) atom. The C(8)-C(5,6) bond length is 1.39 Å. The C(8)-C(9,10) bond length is 1.40 Å. The C(8)-H(1,2) bond length is 1.09 Å. In the seventh C site, C(9,10) is bonded in a trigonal planar geometry to one C(11,12); one C(25,26); and one C(7) atom. The C(9,10)-C(11,12) bond length is 1.40 Å. The C(9,10)-C(25,26) bond length is 1.53 Å. In the eighth C site, C(11,12) is bonded in a distorted single-bond geometry to one C(1,2); one C(9,10); and one H(3,4) atom. The C(11,12)-H(3,4) bond length is 1.09 Å. In the ninth C site, C(13) is bonded in a distorted water-like geometry to one C(15); one H(5,6); one H(7,8); and one S(3,4) atom. The C(13)-C(15) bond length is 1.49 Å. The C(13)-H(5,6) bond length is 1.10 Å. The C(13)-H(7,8) bond length is 1.10 Å. The C(13)-S(3,4) bond length is 1.83 Å. In the tenth C site, C(14) is bonded in a distorted water-like geometry to one C(16); one H(5,6); one H(7,8); and one S(3,4) atom. The C(14)-C(16) bond length is 1.49 Å. The C(14)-H(5,6) bond length is 1.10 Å. The C(14)-H(7,8) bond length is 1.10 Å. The C(14)-S(3,4) bond length is 1.83 Å. In the eleventh C site, C(15) is bonded in a distorted trigonal planar geometry to one C(13), one C(23), and one N(1) atom. The C(15)-C(23) bond length is 1.40 Å. The C(15)-N(1) bond length is 1.35 Å. In the twelfth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(14), one C(24), and one N(2) atom. The C(16)-C(24) bond length is 1.40 Å. The C(16)-N(2) bond length is 1.35 Å. In the thirteenth C site, C(17) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(9) atom. The C(17)-N(1) bond length is 1.34 Å. The C(17)-H(9) bond length is 1.09 Å. In the fourteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one N(2) and one H(10) atom. The C(18)-N(2) bond length is 1.34 Å. The C(18)-H(10) bond length is 1.09 Å. In the fifteenth C site, C(23) is bonded in a distorted single-bond geometry to one C(15) and one H(15,16) atom. The C(23)-H(15,16) bond length is 1.09 Å. In the sixteenth C site, C(24) is bonded in a distorted single-bond geometry to one C(16) and one H(15,16) atom. The C(24)-H(15,16) bond length is 1.09 Å. In the seventeenth C site, C(25,26) is bonded in a tetrahedral geometry to one C(27,28); one C(29,30); one C(31,32); and one C(9,10) atom. The C(25,26)-C(27,28) bond length is 1.54 Å. The C(25,26)-C(29,30) bond length is 1.54 Å. The C(25,26)-C(31,32) bond length is 1.53 Å. In the eighteenth C site, C(27,28) is bonded in a trigonal non-coplanar geometry to one C(25,26); one H(17,18); one H(19,20); and one H(21,22) atom. The C(27,28)-H(17,18) bond length is 1.10 Å. The C(27,28)-H(19,20) bond length is 1.10 Å. The C(27,28)-H(21,22) bond length is 1.10 Å. In the nineteenth C site, C(29,30) is bonded in a trigonal non-coplanar geometry to one C(25,26); one H(23,24); one H(25,26); and one H(27,28) atom. The C(29,30)-H(23,24) bond length is 1.10 Å. The C(29,30)-H(25,26) bond length is 1.10 Å. The C(29,30)-H(27,28) bond length is 1.10 Å. In the twentieth C site, C(31,32) is bonded in a trigonal non-coplanar geometry to one C(25,26); one H(29,30); one H(31,32); and one H(33,34) atom. The C(31,32)-H(29,30) bond length is 1.10 Å. The C(31,32)-H(31,32) bond length is 1.10 Å. The C(31,32)-H(33,34) bond length is 1.10 Å. In the twenty-first C site, C(33,34) is bonded in a trigonal planar geometry to one C(35), one C(43), and one S(5) atom. The C(33,34)-C(35) bond length is 1.41 Å. The C(33,34)-C(43) bond length is 1.40 Å. The C(33,34)-S(5) bond length is 1.78 Å. In the twenty-second C site, C(35) is bonded in a trigonal planar geometry to one C(33,34); one C(37,38); and one S(7,8) atom. The C(35)-C(37,38) bond length is 1.41 Å. The C(35)-S(7,8) bond length is 1.77 Å. In the twenty-third C site, C(36) is bonded in a trigonal planar geometry to one C(33,34); one C(37,38); and one S(7,8) atom. The C(36)-C(33,34) bond length is 1.41 Å. The C(36)-C(37,38) bond length is 1.41 Å. The C(36)-S(7,8) bond length is 1.77 Å. In the twenty-fourth C site, C(37,38) is bonded in a trigonal planar geometry to one C(35), one C(39), and one S(2) atom. The C(37,38)-C(39) bond length is 1.40 Å. The C(37,38)-S(2) bond length is 1.78 Å. In the twenty-fifth C site, C(39) is bonded in a distorted single-bond geometry to one C(37,38); one C(41); and one H(35,36) atom. The C(39)-C(41) bond length is 1.40 Å. The C(39)-H(35,36) bond length is 1.09 Å. In the twenty-sixth C site, C(40) is bonded in a distorted single-bond geometry to one C(37,38); one C(42); and one H(35,36) atom. The C(40)-C(37,38) bond length is 1.40 Å. The C(40)-C(42) bond length is 1.40 Å. The C(40)-H(35,36) bond length is 1.09 Å. In the twenty-seventh C site, C(41) is bonded in a trigonal planar geometry to one C(39), one C(43), and one C(57) atom. The C(41)-C(43) bond length is 1.40 Å. The C(41)-C(57) bond length is 1.53 Å. In the twenty-eighth C site, C(42) is bonded in a trigonal planar geometry to one C(40), one C(44), and one C(58) atom. The C(42)-C(44) bond length is 1.40 Å. The C(42)-C(58) bond length is 1.53 Å. In the twenty-ninth C site, C(43) is bonded in a distorted single-bond geometry to one C(33,34); one C(41); and one H(37,38) atom. The C(43)-H(37,38) bond length is 1.09 Å. In the thirtieth C site, C(44) is bonded in a distorted single-bond geometry to one C(33,34); one C(42); and one H(37,38) atom. The C(44)-C(33,34) bond length is 1.40 Å. The C(44)-H(37,38) bond length is 1.09 Å. In the thirty-first C site, C(45) is bonded in a distorted water-like geometry to one C(47,48); one H(39,40); one H(41,42); and one S(7,8) atom. The C(45)-C(47,48) bond length is 1.50 Å. The C(45)-H(39,40) bond length is 1.10 Å. The C(45)-H(41,42) bond length is 1.10 Å. The C(45)-S(7,8) bond length is 1.83 Å. In the thirty-second C site, C(46) is bonded in a distorted water-like geometry to one C(47,48); one H(39,40); one H(41,42); and one S(7,8) atom. The C(46)-C(47,48) bond length is 1.50 Å. The C(46)-H(39,40) bond length is 1.10 Å. The C(46)-H(41,42) bond length is 1.10 Å. The C(46)-S(7,8) bond length is 1.83 Å. In the thirty-third C site, C(47,48) is bonded in a distorted trigonal planar geometry to one C(45), one C(55), and one N(3) atom. The C(47,48)-C(55) bond length is 1.40 Å. The C(47,48)-N(3) bond length is 1.35 Å. In the thirty-fourth C site, C(49,50) is bonded in a distorted trigonal planar geometry to one C(51), one N(3), and one H(43) atom. The C(49,50)-C(51) bond length is 1.39 Å. The C(49,50)-N(3) bond length is 1.34 Å. The C(49,50)-H(43) bond length is 1.09 Å. In the thirty-fifth C site, C(51) is bonded in a distorted single-bond geometry to one C(49,50) and one H(45,46) atom. The C(51)-H(45,46) bond length is 1.09 Å. In the thirty-sixth C site, C(52) is bonded in a distorted single-bond geometry to one C(49,50) and one H(45,46) atom. The C(52)-C(49,50) bond length is 1.39 Å. The C(52)-H(45,46) bond length is 1.09 Å. In the thirty-seventh C site, C(55) is bonded in a distorted single-bond geometry to one C(47,48) and one H(49,50) atom. The C(55)-H(49,50) bond length is 1.09 Å. In the thirty-eighth C site, C(56) is bonded in a distorted single-bond geometry to one C(47,48) and one H(49,50) atom. The C(56)-C(47,48) bond length is 1.40 Å. The C(56)-H(49,50) bond length is 1.09 Å. In the thirty-ninth C site, C(57) is bonded in a tetrahedral geometry to one C(41), one C(59), one C(61), and one C(63) atom. The C(57)-C(59) bond length is 1.54 Å. The C(57)-C(61) bond length is 1.54 Å. The C(57)-C(63) bond length is 1.54 Å. In the fortieth C site, C(58) is bonded in a tetrahedral geometry to one C(42), one C(60), one C(62), and one C(64) atom. The C(58)-C(60) bond length is 1.54 Å. The C(58)-C(62) bond length is 1.54 Å. The C(58)-C(64) bond length is 1.54 Å. In the forty-first C site, C(59) is bonded in a trigonal non-coplanar geometry to one C(57); one H(51,52); one H(53,54); and one H(55,56) atom. The C(59)-H(51,52) bond length is 1.10 Å. The C(59)-H(53,54) bond length is 1.10 Å. The C(59)-H(55,56) bond length is 1.10 Å. In the forty-second C site, C(60) is bonded in a trigonal non-coplanar geometry to one C(58); one H(51,52); one H(53,54); and one H(55,56) atom. The C(60)-H(51,52) bond length is 1.10 Å. The C(60)-H(53,54) bond length is 1.10 Å. The C(60)-H(55,56) bond length is 1.10 Å. In the forty-third C site, C(61) is bonded in a trigonal non-coplanar geometry to one C(57); one H(57,58); one H(59,60); and one H(61,62) atom. The C(61)-H(57,58) bond length is 1.10 Å. The C(61)-H(59,60) bond length is 1.10 Å. The C(61)-H(61,62) bond length is 1.10 Å. In the forty-fourth C site, C(62) is bonded in a trigonal non-coplanar geometry to one C(58); one H(57,58); one H(59,60); and one H(61,62) atom. The C(62)-H(57,58) bond length is 1.10 Å. The C(62)-H(59,60) bond length is 1.10 Å. The C(62)-H(61,62) bond length is 1.10 Å. In the forty-fifth C site, C(63) is bonded in a trigonal non-coplanar geometry to one C(57); one H(63,64); one H(65,66); and one H(67,68) atom. The C(63)-H(63,64) bond length is 1.10 Å. The C(63)-H(65,66) bond length is 1.10 Å. The C(63)-H(67,68) bond length is 1.10 Å. In the forty-sixth C site, C(64) is bonded in a trigonal non-coplanar geometry to one C(58); one H(63,64); one H(65,66); and one H(67,68) atom. The C(64)-H(63,64) bond length is 1.10 Å. The C(64)-H(65,66) bond length is 1.10 Å. The C(64)-H(67,68) bond length is 1.10 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Hg(1), one C(15), and one C(17) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Hg(2), one C(16), and one C(18) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Hg(3); one C(47,48); and one C(49,50) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Hg(4); one C(47,48); and one C(49,50) atom. The N(4)-C(47,48) bond length is 1.35 Å. The N(4)-C(49,50) bond length is 1.34 Å. There are thirty-three inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(7) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(11,12) atom. In the third H site, H(5,6) is bonded in a single-bond geometry to one C(13) atom. In the fourth H site, H(7,8) is bonded in a single-bond geometry to one C(13) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(17) atom. In the sixth H site, H(10) is bonded in a single-bond geometry to one C(18) atom. In the seventh H site, H(15,16) is bonded in a single-bond geometry to one C(23) atom. In the eighth H site, H(17,18) is bonded in a single-bond geometry to one C(27,28) atom. In the ninth H site, H(19,20) is bonded in a single-bond geometry to one C(27,28) atom. In the tenth H site, H(21,22) is bonded in a single-bond geometry to one C(27,28) atom. In the eleventh H site, H(23,24) is bonded in a single-bond geometry to one C(29,30) atom. In the twelfth H site, H(25,26) is bonded in a single-bond geometry to one C(29,30) atom. In the thirteenth H site, H(27,28) is bonded in a single-bond geometry to one C(29,30) atom. In the fourteenth H site, H(29,30) is bonded in a single-bond geometry to one C(31,32) atom. In the fifteenth H site, H(31,32) is bonded in a single-bond geometry to one C(31,32) atom. In the sixteenth H site, H(33,34) is bonded in a single-bond geometry to one C(31,32) atom. In the seventeenth H site, H(35,36) is bonded in a single-bond geometry to one C(39) atom. In the eighteenth H site, H(37,38) is bonded in a single-bond geometry to one C(43) atom. In the nineteenth H site, H(39,40) is bonded in a single-bond geometry to one C(45) atom. In the twentieth H site, H(41,42) is bonded in a single-bond geometry to one C(45) atom. In the twenty-first H site, H(43) is bonded in a single-bond geometry to one C(49,50) atom. In the twenty-second H site, H(44) is bonded in a single-bond geometry to one C(49,50) atom. The H(44)-C(49,50) bond length is 1.09 Å. In the twenty-third H site, H(45,46) is bonded in a single-bond geometry to one C(51) atom. In the twenty-fourth H site, H(49,50) is bonded in a single-bond geometry to one C(55) atom. In the twenty-fifth H site, H(51,52) is bonded in a single-bond geometry to one C(59) atom. In the twenty-sixth H site, H(53,54) is bonded in a single-bond geometry to one C(59) atom. In the twenty-seventh H site, H(55,56) is bonded in a single-bond geometry to one C(59) atom. In the twenty-eighth H site, H(57,58) is bonded in a single-bond geometry to one C(61) atom. In the twenty-ninth H site, H(59,60) is bonded in a single-bond geometry to one C(61) atom. In the thirtieth H site, H(61,62) is bonded in a single-bond geometry to one C(61) atom. In the thirty-first H site, H(63,64) is bonded in a single-bond geometry to one C(63) atom. In the thirty-second H site, H(65,66) is bonded in a single-bond geometry to one C(63) atom. In the thirty-third H site, H(67,68) is bonded in a single-bond geometry to one C(63) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one C(1,2) and one C(37,38) atom. The S(1)-C(37,38) bond length is 1.78 Å. In the second S site, S(2) is bonded in a water-like geometry to one C(1,2) and one C(37,38) atom. The S(2)-C(1,2) bond length is 1.78 Å. In the third S site, S(3,4) is bonded in a water-like geometry to one C(13) and one C(3) atom. In the fourth S site, S(5) is bonded in a distorted water-like geometry to one C(33,34) and one C(5,6) atom. In the fifth S site, S(6) is bonded in a distorted water-like geometry to one C(33,34) and one C(5,6) atom. The S(6)-C(33,34) bond length is 1.78 Å. The S(6)-C(5,6) bond length is 1.79 Å. In the sixth S site, S(7,8) is bonded in a water-like geometry to one C(35) and one C(45) atom. There are eight inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Hg(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Hg(2) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Hg(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Hg(2) atom. In the fifth Cl site, Cl(5) is bonded in a 3-coordinate geometry to one Hg(1) and two equivalent Hg(3) atoms. In the sixth Cl site, Cl(6) is bonded in a 3-coordinate geometry to one Hg(2) and two equivalent Hg(4) atoms. In the seventh Cl site, Cl(7) is bonded in a single-bond geometry to one Hg(3) atom. In the eighth Cl site, Cl(8) is bonded in a single-bond geometry to one Hg(4) atom. Linkers: 2 CC(C)(C)c1cc2c(SCc3ccccn3)c(c1)Sc1cc(C(C)(C)C)cc(c1SCc1ccccn1)Sc1cc(C(C)(C)C)cc(c1SCc1ccccn1)Sc1cc(C(C)(C)C)cc(c1SCc1ccccn1)S2. Metal clusters: 8 [Hg]. The MOF has largest included sphere 4.70 A, density 1.76 g/cm3, surface area 3603.90 m2/g, accessible volume 0.19 cm3/g