Cu2C2H5S(NO)5 crystallizes in the triclinic P1 space group. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one N(14), one N(9), one O(1), and one O(5) atom. The Cu(1)-N(14) bond length is 1.97 Å. The Cu(1)-N(9) bond length is 2.07 Å. The Cu(1)-O(1) bond length is 2.01 Å. The Cu(1)-O(5) bond length is 2.00 Å. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to one N(10), one N(13), one O(2), and one O(6) atom. The Cu(2)-N(10) bond length is 2.07 Å. The Cu(2)-N(13) bond length is 1.98 Å. The Cu(2)-O(2) bond length is 1.98 Å. The Cu(2)-O(6) bond length is 1.98 Å. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one N(11), one N(16), one O(3), and one O(7) atom. The Cu(3)-N(11) bond length is 2.07 Å. The Cu(3)-N(16) bond length is 1.97 Å. The Cu(3)-O(3) bond length is 2.00 Å. The Cu(3)-O(7) bond length is 2.00 Å. In the fourth Cu site, Cu(4) is bonded in a distorted rectangular see-saw-like geometry to one N(12), one N(15), one O(4), and one O(8) atom. The Cu(4)-N(12) bond length is 2.08 Å. The Cu(4)-N(15) bond length is 1.97 Å. The Cu(4)-O(4) bond length is 1.99 Å. The Cu(4)-O(8) bond length is 1.98 Å. In the fifth Cu site, Cu(5) is bonded to one N(18), one N(3), one O(1), one O(13), and one O(3) atom to form distorted CuN2O3 square pyramids that share  a cornercorner with one S(1)O4 tetrahedra and  an edgeedge with one Cu(7)N2O3 square pyramid. The Cu(5)-N(18) bond length is 1.95 Å. The Cu(5)-N(3) bond length is 1.93 Å. The Cu(5)-O(1) bond length is 1.96 Å. The Cu(5)-O(13) bond length is 2.34 Å. The Cu(5)-O(3) bond length is 2.03 Å. In the sixth Cu site, Cu(6) is bonded to one N(17), one N(4), one O(14), one O(2), and one O(4) atom to form CuN2O3 square pyramids that share  a cornercorner with one S(2)O4 tetrahedra and  an edgeedge with one Cu(8)N2O3 square pyramid. The Cu(6)-N(17) bond length is 1.96 Å. The Cu(6)-N(4) bond length is 1.94 Å. The Cu(6)-O(14) bond length is 2.35 Å. The Cu(6)-O(2) bond length is 1.95 Å. The Cu(6)-O(4) bond length is 2.02 Å. In the seventh Cu site, Cu(7) is bonded to one N(1), one N(20), one O(1), one O(15), and one O(3) atom to form distorted CuN2O3 square pyramids that share  a cornercorner with one S(3)O4 tetrahedra and  an edgeedge with one Cu(5)N2O3 square pyramid. The Cu(7)-N(1) bond length is 1.92 Å. The Cu(7)-N(20) bond length is 1.95 Å. The Cu(7)-O(1) bond length is 2.03 Å. The Cu(7)-O(15) bond length is 2.35 Å. The Cu(7)-O(3) bond length is 1.96 Å. In the eighth Cu site, Cu(8) is bonded to one N(19), one N(2), one O(16), one O(2), and one O(4) atom to form CuN2O3 square pyramids that share  a cornercorner with one S(4)O4 tetrahedra and  an edgeedge with one Cu(6)N2O3 square pyramid. The Cu(8)-N(19) bond length is 1.96 Å. The Cu(8)-N(2) bond length is 1.94 Å. The Cu(8)-O(16) bond length is 2.34 Å. The Cu(8)-O(2) bond length is 2.06 Å. The Cu(8)-O(4) bond length is 1.98 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one N(17), and one N(9) atom. The C(1)-N(1) bond length is 1.36 Å. The C(1)-N(17) bond length is 1.33 Å. The C(1)-N(9) bond length is 1.39 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(10), one N(18), and one N(2) atom. The C(2)-N(10) bond length is 1.39 Å. The C(2)-N(18) bond length is 1.33 Å. The C(2)-N(2) bond length is 1.35 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(11), one N(19), and one N(3) atom. The C(3)-N(11) bond length is 1.39 Å. The C(3)-N(19) bond length is 1.33 Å. The C(3)-N(3) bond length is 1.36 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one N(12), one N(20), and one N(4) atom. The C(4)-N(12) bond length is 1.39 Å. The C(4)-N(20) bond length is 1.33 Å. The C(4)-N(4) bond length is 1.36 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one N(1), one N(13), and one N(5) atom. The C(5)-N(1) bond length is 1.36 Å. The C(5)-N(13) bond length is 1.34 Å. The C(5)-N(5) bond length is 1.36 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one N(14), one N(2), and one N(6) atom. The C(6)-N(14) bond length is 1.34 Å. The C(6)-N(2) bond length is 1.36 Å. The C(6)-N(6) bond length is 1.36 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one N(15), one N(3), and one N(7) atom. The C(7)-N(15) bond length is 1.34 Å. The C(7)-N(3) bond length is 1.36 Å. The C(7)-N(7) bond length is 1.36 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(16), one N(4), and one N(8) atom. The C(8)-N(16) bond length is 1.34 Å. The C(8)-N(4) bond length is 1.36 Å. The C(8)-N(8) bond length is 1.36 Å. There are twenty inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(7), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(8), one C(2), and one C(6) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(5), one C(3), and one C(7) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(6), one C(4), and one C(8) atom. In the fifth N site, N(5) is bonded in a distorted trigonal non-coplanar geometry to one C(5), one H(5), and one H(9) atom. The N(5)-H(5) bond length is 1.02 Å. The N(5)-H(9) bond length is 1.02 Å. In the sixth N site, N(6) is bonded in a distorted trigonal non-coplanar geometry to one C(6); one H(10); and one H(6,8) atom. The N(6)-H(10) bond length is 1.02 Å. The N(6)-H(6,8) bond length is 1.02 Å. In the seventh N site, N(7) is bonded in a distorted trigonal non-coplanar geometry to one C(7), one H(11), and one H(7) atom. The N(7)-H(11) bond length is 1.02 Å. The N(7)-H(7) bond length is 1.02 Å. In the eighth N site, N(8) is bonded in a distorted trigonal non-coplanar geometry to one C(8); one H(12); and one H(6,8) atom. The N(8)-H(12) bond length is 1.02 Å. The N(8)-H(6,8) bond length is 1.02 Å. In the ninth N site, N(9) is bonded in a 4-coordinate geometry to one Cu(1), one C(1), one H(13), and one H(17) atom. The N(9)-H(13) bond length is 1.02 Å. The N(9)-H(17) bond length is 1.04 Å. In the tenth N site, N(10) is bonded in a 4-coordinate geometry to one Cu(2), one C(2), one H(14), and one H(18) atom. The N(10)-H(14) bond length is 1.02 Å. The N(10)-H(18) bond length is 1.04 Å. In the eleventh N site, N(11) is bonded in a 4-coordinate geometry to one Cu(3), one C(3), one H(15), and one H(19) atom. The N(11)-H(15) bond length is 1.02 Å. The N(11)-H(19) bond length is 1.04 Å. In the twelfth N site, N(12) is bonded in a 4-coordinate geometry to one Cu(4), one C(4), one H(16), and one H(20) atom. The N(12)-H(16) bond length is 1.02 Å. The N(12)-H(20) bond length is 1.04 Å. In the thirteenth N site, N(13) is bonded in a distorted trigonal planar geometry to one Cu(2), one C(5), and one N(17) atom. The N(13)-N(17) bond length is 1.39 Å. In the fourteenth N site, N(14) is bonded in a distorted trigonal planar geometry to one Cu(1), one C(6), and one N(18) atom. The N(14)-N(18) bond length is 1.39 Å. In the fifteenth N site, N(15) is bonded in a distorted trigonal planar geometry to one Cu(4), one C(7), and one N(19) atom. The N(15)-N(19) bond length is 1.39 Å. In the sixteenth N site, N(16) is bonded in a distorted trigonal planar geometry to one Cu(3), one C(8), and one N(20) atom. The N(16)-N(20) bond length is 1.39 Å. In the seventeenth N site, N(17) is bonded in a 3-coordinate geometry to one Cu(6), one C(1), and one N(13) atom. In the eighteenth N site, N(18) is bonded in a 3-coordinate geometry to one Cu(5), one C(2), and one N(14) atom. In the nineteenth N site, N(19) is bonded in a 3-coordinate geometry to one Cu(8), one C(3), and one N(15) atom. In the twentieth N site, N(20) is bonded in a 3-coordinate geometry to one Cu(7), one C(4), and one N(16) atom. There are nineteen inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(1) and one O(9) atom. The H(1)-O(1) bond length is 1.02 Å. The H(1)-O(9) bond length is 1.66 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) and one O(2) atom. The H(2)-O(10) bond length is 1.68 Å. The H(2)-O(2) bond length is 1.01 Å. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(11) and one O(3) atom. The H(3)-O(11) bond length is 1.67 Å. The H(3)-O(3) bond length is 1.02 Å. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(12) and one O(4) atom. The H(4)-O(12) bond length is 1.67 Å. The H(4)-O(4) bond length is 1.01 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one N(5) atom. In the sixth H site, H(6,8) is bonded in a single-bond geometry to one N(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one N(7) atom. In the eighth H site, H(9) is bonded in a single-bond geometry to one N(5) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one N(6) atom. In the tenth H site, H(11) is bonded in a single-bond geometry to one N(7) atom. In the eleventh H site, H(12) is bonded in a single-bond geometry to one N(8) atom. In the twelfth H site, H(13) is bonded in a single-bond geometry to one N(9) atom. In the thirteenth H site, H(14) is bonded in a single-bond geometry to one N(10) atom. In the fourteenth H site, H(15) is bonded in a single-bond geometry to one N(11) atom. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one N(12) atom. In the sixteenth H site, H(17) is bonded in a single-bond geometry to one N(9) atom. In the seventeenth H site, H(18) is bonded in a single-bond geometry to one N(10) atom. In the eighteenth H site, H(19) is bonded in a single-bond geometry to one N(11) atom. In the nineteenth H site, H(20) is bonded in a single-bond geometry to one N(12) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(13), one O(17), one O(5), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(5)N2O3 square pyramid. The S(1)-O(13) bond length is 1.50 Å. The S(1)-O(17) bond length is 1.48 Å. The S(1)-O(5) bond length is 1.52 Å. The S(1)-O(9) bond length is 1.48 Å. In the second S site, S(2) is bonded to one O(10), one O(14), one O(18), and one O(6) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(6)N2O3 square pyramid. The S(2)-O(10) bond length is 1.48 Å. The S(2)-O(14) bond length is 1.50 Å. The S(2)-O(18) bond length is 1.48 Å. The S(2)-O(6) bond length is 1.53 Å. In the third S site, S(3) is bonded to one O(11), one O(15), one O(19), and one O(7) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(7)N2O3 square pyramid. The S(3)-O(11) bond length is 1.48 Å. The S(3)-O(15) bond length is 1.50 Å. The S(3)-O(19) bond length is 1.48 Å. The S(3)-O(7) bond length is 1.52 Å. In the fourth S site, S(4) is bonded to one O(12), one O(16), one O(20), and one O(8) atom to form SO4 tetrahedra that share  a cornercorner with one Cu(8)N2O3 square pyramid. The S(4)-O(12) bond length is 1.48 Å. The S(4)-O(16) bond length is 1.50 Å. The S(4)-O(20) bond length is 1.48 Å. The S(4)-O(8) bond length is 1.52 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(5), one Cu(7), and one H(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(2), one Cu(6), one Cu(8), and one H(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(3), one Cu(5), one Cu(7), and one H(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(4), one Cu(6), one Cu(8), and one H(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one S(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(2) and one S(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(3) and one S(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(4) and one S(4) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one H(1) and one S(1) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one H(2) and one S(2) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one H(3) and one S(3) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one H(4) and one S(4) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Cu(5) and one S(1) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Cu(6) and one S(2) atom. In the fifteenth O site, O(15) is bonded in a distorted single-bond geometry to one Cu(7) and one S(3) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Cu(8) and one S(4) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one S(1) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one S(2) atom. In the nineteenth O site, O(19) is bonded in a single-bond geometry to one S(3) atom. In the twentieth O site, O(20) is bonded in a single-bond geometry to one S(4) atom. Linkers: 1 NC1=NC(N)=N[N]1 ,3 NC1=[N]=C(N=N1)N. Metal clusters: 8 [Cu]. The MOF has largest included sphere 1.70 A, density 2.89 g/cm3, surface area 2226.09 m2/g, accessible volume 0.05 cm3/g