CdC7N6H5SCl crystallizes in the triclinic P1 space group. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one N(1), one N(7), one N(9), one S(1), one Cl(1), and one Cl(2) atom to form corner-sharing CdSN3Cl2 octahedra. The corner-sharing octahedral tilt angles are 40°. The Cd(1)-N(1) bond length is 2.46 Å. The Cd(1)-N(7) bond length is 2.40 Å. The Cd(1)-N(9) bond length is 2.41 Å. The Cd(1)-S(1) bond length is 2.63 Å. The Cd(1)-Cl(1) bond length is 2.61 Å. The Cd(1)-Cl(2) bond length is 2.65 Å. In the second Cd site, Cd(2) is bonded to one N(10), one N(2), one N(8), one S(2), one Cl(1), and one Cl(2) atom to form corner-sharing CdSN3Cl2 octahedra. The corner-sharing octahedral tilt angles are 40°. The Cd(2)-N(10) bond length is 2.41 Å. The Cd(2)-N(2) bond length is 2.45 Å. The Cd(2)-N(8) bond length is 2.40 Å. The Cd(2)-S(2) bond length is 2.64 Å. The Cd(2)-Cl(1) bond length is 2.65 Å. The Cd(2)-Cl(2) bond length is 2.61 Å. In the third Cd site, Cd(3,4) is bonded to one N(11), one N(3), one N(5), one S(3), one Cl(3), and one Cl(4) atom to form corner-sharing CdSN3Cl2 octahedra. The corner-sharing octahedral tilt angles are 40°. The Cd(3,4)-N(11) bond length is 2.41 Å. The Cd(3,4)-N(3) bond length is 2.45 Å. The Cd(3,4)-N(5) bond length is 2.40 Å. The Cd(3,4)-S(3) bond length is 2.63 Å. The Cd(3,4)-Cl(3) bond length is 2.61 Å. The Cd(3,4)-Cl(4) bond length is 2.65 Å. There are twenty-three inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(13); one N(5); and one H(5,6,8) atom. The C(1)-C(13) bond length is 1.40 Å. The C(1)-N(5) bond length is 1.34 Å. The C(1)-H(5,6,8) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(14,16); one N(6); and one H(5,6,8) atom. The C(2)-C(14,16) bond length is 1.40 Å. The C(2)-N(6) bond length is 1.34 Å. The C(2)-H(5,6,8) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(15), one N(7), and one H(7) atom. The C(3)-C(15) bond length is 1.40 Å. The C(3)-N(7) bond length is 1.33 Å. The C(3)-H(7) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(14,16); one N(8); and one H(5,6,8) atom. The C(4)-C(14,16) bond length is 1.40 Å. The C(4)-N(8) bond length is 1.34 Å. The C(4)-H(5,6,8) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(9); one N(5); and one H(9,10,12) atom. The C(5)-C(9) bond length is 1.39 Å. The C(5)-N(5) bond length is 1.34 Å. The C(5)-H(9,10,12) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(10,12); one N(6); and one H(9,10,12) atom. The C(6)-C(10,12) bond length is 1.39 Å. The C(6)-N(6) bond length is 1.34 Å. The C(6)-H(9,10,12) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(11), one N(7), and one H(11) atom. The C(7)-C(11) bond length is 1.39 Å. The C(7)-N(7) bond length is 1.34 Å. The C(7)-H(11) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(10,12); one N(8); and one H(9,10,12) atom. The C(8)-C(10,12) bond length is 1.39 Å. The C(8)-N(8) bond length is 1.34 Å. The C(8)-H(9,10,12) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(5), one N(1), and one H(13) atom. The C(9)-N(1) bond length is 1.34 Å. The C(9)-H(13) bond length is 1.09 Å. In the tenth C site, C(10,12) is bonded in a distorted trigonal planar geometry to one C(6); one N(2); and one H(14,16) atom. The C(10,12)-N(2) bond length is 1.34 Å. The C(10,12)-H(14,16) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a distorted trigonal planar geometry to one C(7), one N(3), and one H(15) atom. The C(11)-N(3) bond length is 1.34 Å. The C(11)-H(15) bond length is 1.09 Å. In the twelfth C site, C(13) is bonded in a distorted trigonal planar geometry to one C(1), one C(17), and one N(1) atom. The C(13)-C(17) bond length is 1.46 Å. The C(13)-N(1) bond length is 1.35 Å. In the thirteenth C site, C(14,16) is bonded in a distorted trigonal planar geometry to one C(18,20); one C(2); and one N(2) atom. The C(14,16)-C(18,20) bond length is 1.46 Å. The C(14,16)-N(2) bond length is 1.35 Å. In the fourteenth C site, C(15) is bonded in a distorted trigonal planar geometry to one C(19), one C(3), and one N(3) atom. The C(15)-C(19) bond length is 1.46 Å. The C(15)-N(3) bond length is 1.35 Å. In the fifteenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(13), one N(17), and one N(9) atom. The C(17)-N(17) bond length is 1.34 Å. The C(17)-N(9) bond length is 1.37 Å. In the sixteenth C site, C(18,20) is bonded in a distorted trigonal planar geometry to one C(14,16); one N(10); and one N(18) atom. The C(18,20)-N(10) bond length is 1.37 Å. The C(18,20)-N(18) bond length is 1.34 Å. In the seventeenth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(15); one N(11); and one N(19,20) atom. The C(19)-N(11) bond length is 1.37 Å. The C(19)-N(19,20) bond length is 1.34 Å. In the eighteenth C site, C(21) is bonded in a trigonal planar geometry to one N(13); one N(9); and one H(17,18,19,20) atom. The C(21)-N(13) bond length is 1.35 Å. The C(21)-N(9) bond length is 1.33 Å. The C(21)-H(17,18,19,20) bond length is 1.09 Å. In the nineteenth C site, C(22) is bonded in a trigonal planar geometry to one N(10); one N(14,15,16); and one H(17,18,19,20) atom. The C(22)-N(10) bond length is 1.34 Å. The C(22)-N(14,15,16) bond length is 1.35 Å. The C(22)-H(17,18,19,20) bond length is 1.09 Å. In the twentieth C site, C(23,24) is bonded in a trigonal planar geometry to one N(11); one N(14,15,16); and one H(17,18,19,20) atom. The C(23,24)-N(11) bond length is 1.34 Å. The C(23,24)-N(14,15,16) bond length is 1.35 Å. The C(23,24)-H(17,18,19,20) bond length is 1.09 Å. In the twenty-first C site, C(25) is bonded in a distorted linear geometry to one N(21,24) and one S(1) atom. The C(25)-N(21,24) bond length is 1.18 Å. The C(25)-S(1) bond length is 1.64 Å. In the twenty-second C site, C(26) is bonded in a distorted linear geometry to one N(22) and one S(2) atom. The C(26)-N(22) bond length is 1.18 Å. The C(26)-S(2) bond length is 1.64 Å. In the twenty-third C site, C(27,28) is bonded in a distorted linear geometry to one N(23) and one S(3) atom. The C(27,28)-N(23) bond length is 1.18 Å. The C(27,28)-S(3) bond length is 1.64 Å. There are twenty inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Cd(1), one C(13), and one C(9) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Cd(2); one C(10,12); and one C(14,16) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Cd(3,4); one C(11); and one C(15) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Cd(3,4); one C(10,12); and one C(14,16) atom. The N(4)-Cd(3,4) bond length is 2.45 Å. The N(4)-C(10,12) bond length is 1.34 Å. The N(4)-C(14,16) bond length is 1.35 Å. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cd(3,4); one C(1); and one C(5) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cd(3,4); one C(2); and one C(6) atom. The N(6)-Cd(3,4) bond length is 2.40 Å. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Cd(1), one C(3), and one C(7) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Cd(2), one C(4), and one C(8) atom. In the ninth N site, N(9) is bonded in a 3-coordinate geometry to one Cd(1), one C(17), and one C(21) atom. In the tenth N site, N(10) is bonded in a 3-coordinate geometry to one Cd(2); one C(18,20); and one C(22) atom. In the eleventh N site, N(11) is bonded in a 3-coordinate geometry to one Cd(3,4); one C(19); and one C(23,24) atom. In the twelfth N site, N(12) is bonded in a 3-coordinate geometry to one Cd(3,4); one C(18,20); and one C(23,24) atom. The N(12)-Cd(3,4) bond length is 2.41 Å. The N(12)-C(18,20) bond length is 1.37 Å. The N(12)-C(23,24) bond length is 1.34 Å. In the thirteenth N site, N(13) is bonded in a 2-coordinate geometry to one C(21), one N(17), and one H(1) atom. The N(13)-N(17) bond length is 1.35 Å. The N(13)-H(1) bond length is 1.06 Å. In the fourteenth N site, N(14,15,16) is bonded in a 2-coordinate geometry to one C(22), one N(18), and one H(2) atom. The N(14,15,16)-N(18) bond length is 1.35 Å. The N(14,15,16)-H(2) bond length is 1.06 Å. In the fifteenth N site, N(17) is bonded in a distorted water-like geometry to one C(17) and one N(13) atom. In the sixteenth N site, N(18) is bonded in a distorted water-like geometry to one C(18,20) and one N(14,15,16) atom. In the seventeenth N site, N(19,20) is bonded in a distorted water-like geometry to one C(19) and one N(14,15,16) atom. The N(19,20)-N(14,15,16) bond length is 1.35 Å. In the eighteenth N site, N(21,24) is bonded in a bent 150 degrees geometry to one C(25) and one H(2) atom. The N(21,24)-H(2) bond length is 1.64 Å. In the nineteenth N site, N(22) is bonded in a bent 150 degrees geometry to one C(26) and one H(1) atom. The N(22)-H(1) bond length is 1.64 Å. In the twentieth N site, N(23) is bonded in a bent 150 degrees geometry to one C(27,28) and one H(3,4) atom. The N(23)-H(3,4) bond length is 1.64 Å. There are eleven inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one N(13) and one N(22) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one N(14,15,16) and one N(21,24) atom. In the third H site, H(3,4) is bonded in a distorted linear geometry to one N(14,15,16) and one N(21,24) atom. The H(3,4)-N(14,15,16) bond length is 1.06 Å. The H(3,4)-N(21,24) bond length is 1.64 Å. In the fourth H site, H(5,6,8) is bonded in a single-bond geometry to one C(1) atom. In the fifth H site, H(7) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(9,10,12) is bonded in a single-bond geometry to one C(5) atom. In the seventh H site, H(11) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(13) is bonded in a single-bond geometry to one C(9) atom. In the ninth H site, H(14,16) is bonded in a single-bond geometry to one C(10,12) atom. In the tenth H site, H(15) is bonded in a single-bond geometry to one C(11) atom. In the eleventh H site, H(17,18,19,20) is bonded in a single-bond geometry to one C(21) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a water-like geometry to one Cd(1) and one C(25) atom. In the second S site, S(2) is bonded in a water-like geometry to one Cd(2) and one C(26) atom. In the third S site, S(3) is bonded in a water-like geometry to one Cd(3,4) and one C(27,28) atom. In the fourth S site, S(4) is bonded in a water-like geometry to one Cd(3,4) and one C(27,28) atom. The S(4)-Cd(3,4) bond length is 2.63 Å. The S(4)-C(27,28) bond length is 1.64 Å. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 150 degrees geometry to one Cd(1) and one Cd(2) atom. In the second Cl site, Cl(2) is bonded in a bent 150 degrees geometry to one Cd(1) and one Cd(2) atom. In the third Cl site, Cl(3) is bonded in a bent 150 degrees geometry to two equivalent Cd(3,4) atoms. In the fourth Cl site, Cl(4) is bonded in a bent 150 degrees geometry to two equivalent Cd(3,4) atoms. Linkers: 4 [CH]1N=C(c2cnccn2)[N]N1. Metal clusters: 4 [Cd]. The MOF has largest included sphere 1.97 A, density 2.14 g/cm3, surface area 3770.51 m2/g, accessible volume 0.10 cm3/g