CH2CuC5NH6SO3 crystallizes in the triclinic P1 space group. The structure consists of eight 02329_fluka molecules inside a CuC5NH6SO3 framework. In the CuC5NH6SO3 framework, there are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one N(1), one S(3), one O(15), one O(17), and one O(5) atom. The Cu(1)-N(1) bond length is 1.92 Å. The Cu(1)-S(3) bond length is 2.65 Å. The Cu(1)-O(15) bond length is 1.96 Å. The Cu(1)-O(17) bond length is 2.07 Å. The Cu(1)-O(5) bond length is 2.03 Å. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one N(2), one S(4), one O(16), one O(18), and one O(6) atom. The Cu(2)-N(2) bond length is 1.92 Å. The Cu(2)-S(4) bond length is 2.65 Å. The Cu(2)-O(16) bond length is 1.96 Å. The Cu(2)-O(18) bond length is 2.07 Å. The Cu(2)-O(6) bond length is 2.03 Å. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one N(3), one S(2), one O(14), one O(19), and one O(7) atom. The Cu(3)-N(3) bond length is 1.92 Å. The Cu(3)-S(2) bond length is 2.65 Å. The Cu(3)-O(14) bond length is 1.96 Å. The Cu(3)-O(19) bond length is 2.07 Å. The Cu(3)-O(7) bond length is 2.03 Å. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one N(4), one S(1), one O(13), one O(20), and one O(8) atom. The Cu(4)-N(4) bond length is 1.92 Å. The Cu(4)-S(1) bond length is 2.65 Å. The Cu(4)-O(13) bond length is 1.96 Å. The Cu(4)-O(20) bond length is 2.07 Å. The Cu(4)-O(8) bond length is 2.03 Å. In the fifth Cu site, Cu(5) is bonded in a distorted square pyramidal geometry to one N(5), one S(7), one O(1), one O(11), and one O(21) atom. The Cu(5)-N(5) bond length is 1.91 Å. The Cu(5)-S(7) bond length is 2.62 Å. The Cu(5)-O(1) bond length is 2.03 Å. The Cu(5)-O(11) bond length is 1.96 Å. The Cu(5)-O(21) bond length is 2.08 Å. In the sixth Cu site, Cu(6) is bonded in a distorted square pyramidal geometry to one N(6), one S(8), one O(12), one O(2), and one O(22) atom. The Cu(6)-N(6) bond length is 1.91 Å. The Cu(6)-S(8) bond length is 2.62 Å. The Cu(6)-O(12) bond length is 1.96 Å. The Cu(6)-O(2) bond length is 2.04 Å. The Cu(6)-O(22) bond length is 2.09 Å. In the seventh Cu site, Cu(7) is bonded in a distorted square pyramidal geometry to one N(7), one S(6), one O(10), one O(23), and one O(3) atom. The Cu(7)-N(7) bond length is 1.92 Å. The Cu(7)-S(6) bond length is 2.62 Å. The Cu(7)-O(10) bond length is 1.96 Å. The Cu(7)-O(23) bond length is 2.08 Å. The Cu(7)-O(3) bond length is 2.03 Å. In the eighth Cu site, Cu(8) is bonded in a distorted square pyramidal geometry to one N(8), one S(5), one O(24), one O(4), and one O(9) atom. The Cu(8)-N(8) bond length is 1.91 Å. The Cu(8)-S(5) bond length is 2.62 Å. The Cu(8)-O(24) bond length is 2.09 Å. The Cu(8)-O(4) bond length is 2.04 Å. The Cu(8)-O(9) bond length is 1.96 Å. There are thirty-one inequivalent C sites. In the first C site, C(1,2) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(9) atom. The C(1,2)-O(5) bond length is 1.28 Å. The C(1,2)-O(9) bond length is 1.27 Å. In the second C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(11) and one O(7) atom. The C(3)-O(11) bond length is 1.27 Å. The C(3)-O(7) bond length is 1.28 Å. In the third C site, C(4) is bonded in a distorted bent 120 degrees geometry to one O(12) and one O(8) atom. The C(4)-O(12) bond length is 1.27 Å. The C(4)-O(8) bond length is 1.28 Å. In the fourth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(13) atom. The C(5)-O(1) bond length is 1.27 Å. The C(5)-O(13) bond length is 1.27 Å. In the fifth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one O(14) and one O(2) atom. The C(6)-O(14) bond length is 1.27 Å. The C(6)-O(2) bond length is 1.27 Å. In the sixth C site, C(7) is bonded in a distorted bent 120 degrees geometry to one O(15) and one O(3) atom. The C(7)-O(15) bond length is 1.27 Å. The C(7)-O(3) bond length is 1.27 Å. In the seventh C site, C(8) is bonded in a distorted bent 120 degrees geometry to one O(16) and one O(4) atom. The C(8)-O(16) bond length is 1.27 Å. The C(8)-O(4) bond length is 1.27 Å. In the eighth C site, C(9,11,12) is bonded in a distorted water-like geometry to one H(1), one H(5), and one S(1) atom. The C(9,11,12)-H(1) bond length is 1.10 Å. The C(9,11,12)-H(5) bond length is 1.10 Å. The C(9,11,12)-S(1) bond length is 1.81 Å. In the ninth C site, C(10) is bonded in a distorted water-like geometry to one H(2), one H(6), and one S(2) atom. The C(10)-H(2) bond length is 1.10 Å. The C(10)-H(6) bond length is 1.10 Å. The C(10)-S(2) bond length is 1.81 Å. In the tenth C site, C(17,19,20) is bonded in a trigonal non-coplanar geometry to one H(17), one H(21), one H(25), and one S(1) atom. The C(17,19,20)-H(17) bond length is 1.10 Å. The C(17,19,20)-H(21) bond length is 1.10 Å. The C(17,19,20)-H(25) bond length is 1.10 Å. The C(17,19,20)-S(1) bond length is 1.80 Å. In the eleventh C site, C(18) is bonded in a trigonal non-coplanar geometry to one H(18), one H(22), one H(26), and one S(2) atom. The C(18)-H(18) bond length is 1.10 Å. The C(18)-H(22) bond length is 1.10 Å. The C(18)-H(26) bond length is 1.10 Å. The C(18)-S(2) bond length is 1.80 Å. In the twelfth C site, C(21) is bonded in a trigonal non-coplanar geometry to one H(29,31); one H(33,35); one H(37,39); and one S(5) atom. The C(21)-H(29,31) bond length is 1.10 Å. The C(21)-H(33,35) bond length is 1.10 Å. The C(21)-H(37,39) bond length is 1.10 Å. The C(21)-S(5) bond length is 1.81 Å. In the thirteenth C site, C(22) is bonded in a trigonal non-coplanar geometry to one H(30,32); one H(34,36); one H(38,40); and one S(6) atom. The C(22)-H(30,32) bond length is 1.10 Å. The C(22)-H(34,36) bond length is 1.10 Å. The C(22)-H(38,40) bond length is 1.10 Å. The C(22)-S(6) bond length is 1.81 Å. In the fourteenth C site, C(23) is bonded in a trigonal non-coplanar geometry to one H(29,31); one H(33,35); one H(37,39); and one S(7) atom. The C(23)-H(29,31) bond length is 1.10 Å. The C(23)-H(33,35) bond length is 1.10 Å. The C(23)-H(37,39) bond length is 1.10 Å. The C(23)-S(7) bond length is 1.81 Å. In the fifteenth C site, C(24) is bonded in a trigonal non-coplanar geometry to one H(30,32); one H(34,36); one H(38,40); and one S(8) atom. The C(24)-H(30,32) bond length is 1.10 Å. The C(24)-H(34,36) bond length is 1.10 Å. The C(24)-H(38,40) bond length is 1.10 Å. The C(24)-S(8) bond length is 1.81 Å. In the sixteenth C site, C(29) is bonded in a distorted water-like geometry to one H(49,51); one H(53,55); and one S(5) atom. The C(29)-H(49,51) bond length is 1.10 Å. The C(29)-H(53,55) bond length is 1.10 Å. The C(29)-S(5) bond length is 1.81 Å. In the seventeenth C site, C(30,31) is bonded in a distorted water-like geometry to one H(50,52); one H(54,56); and one S(6) atom. The C(30,31)-H(50,52) bond length is 1.10 Å. The C(30,31)-H(54,56) bond length is 1.10 Å. The C(30,31)-S(6) bond length is 1.81 Å. In the eighteenth C site, C(32) is bonded in a distorted water-like geometry to one H(50,52); one H(54,56); and one S(8) atom. The C(32)-H(50,52) bond length is 1.10 Å. The C(32)-H(54,56) bond length is 1.10 Å. The C(32)-S(8) bond length is 1.81 Å. In the nineteenth C site, C(33,35) is bonded in a distorted bent 120 degrees geometry to one N(5) and one O(17) atom. The C(33,35)-N(5) bond length is 1.31 Å. The C(33,35)-O(17) bond length is 1.28 Å. In the twentieth C site, C(34) is bonded in a distorted bent 120 degrees geometry to one N(6) and one O(18) atom. The C(34)-N(6) bond length is 1.31 Å. The C(34)-O(18) bond length is 1.28 Å. In the twenty-first C site, C(36) is bonded in a distorted bent 120 degrees geometry to one N(8) and one O(20) atom. The C(36)-N(8) bond length is 1.31 Å. The C(36)-O(20) bond length is 1.28 Å. In the twenty-second C site, C(37,39) is bonded in a 2-coordinate geometry to one N(5) and one H(57) atom. The C(37,39)-N(5) bond length is 1.44 Å. The C(37,39)-H(57) bond length is 1.11 Å. In the twenty-third C site, C(38) is bonded in a 2-coordinate geometry to one N(6) and one H(58,60) atom. The C(38)-N(6) bond length is 1.44 Å. The C(38)-H(58,60) bond length is 1.11 Å. In the twenty-fourth C site, C(40) is bonded in a 2-coordinate geometry to one N(8) and one H(58,60) atom. The C(40)-N(8) bond length is 1.44 Å. The C(40)-H(58,60) bond length is 1.11 Å. In the twenty-fifth C site, C(41,42) is bonded in a distorted water-like geometry to one N(1) and one H(61) atom. The C(41,42)-N(1) bond length is 1.44 Å. The C(41,42)-H(61) bond length is 1.11 Å. In the twenty-sixth C site, C(43) is bonded in a distorted water-like geometry to one N(3) and one H(63) atom. The C(43)-N(3) bond length is 1.44 Å. The C(43)-H(63) bond length is 1.11 Å. In the twenty-seventh C site, C(44) is bonded in a distorted water-like geometry to one N(4) and one H(62,64) atom. The C(44)-N(4) bond length is 1.45 Å. The C(44)-H(62,64) bond length is 1.11 Å. In the twenty-eighth C site, C(45) is bonded in a distorted bent 120 degrees geometry to one N(1) and one O(21) atom. The C(45)-N(1) bond length is 1.31 Å. The C(45)-O(21) bond length is 1.28 Å. In the twenty-ninth C site, C(46) is bonded in a distorted bent 120 degrees geometry to one N(2) and one O(22) atom. The C(46)-N(2) bond length is 1.31 Å. The C(46)-O(22) bond length is 1.28 Å. In the thirtieth C site, C(47) is bonded in a distorted bent 120 degrees geometry to one N(3) and one O(23) atom. The C(47)-N(3) bond length is 1.31 Å. The C(47)-O(23) bond length is 1.28 Å. In the thirty-first C site, C(48) is bonded in a distorted bent 120 degrees geometry to one N(4) and one O(24) atom. The C(48)-N(4) bond length is 1.31 Å. The C(48)-O(24) bond length is 1.28 Å. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1); one C(41,42); and one C(45) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2); one C(41,42); and one C(46) atom. The N(2)-C(41,42) bond length is 1.45 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(3), one C(43), and one C(47) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Cu(4), one C(44), and one C(48) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Cu(5); one C(33,35); and one C(37,39) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Cu(6), one C(34), and one C(38) atom. In the seventh N site, N(7) is bonded in a trigonal planar geometry to one Cu(7); one C(33,35); and one C(37,39) atom. The N(7)-C(33,35) bond length is 1.31 Å. The N(7)-C(37,39) bond length is 1.44 Å. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Cu(8), one C(36), and one C(40) atom. There are thirty-six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(9,11,12) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(10) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(9,11,12) atom. The H(3)-C(9,11,12) bond length is 1.10 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(9,11,12) atom. The H(4)-C(9,11,12) bond length is 1.10 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(9,11,12) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(10) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(9,11,12) atom. The H(7)-C(9,11,12) bond length is 1.10 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(9,11,12) atom. The H(8)-C(9,11,12) bond length is 1.10 Å. In the ninth H site, H(17) is bonded in a single-bond geometry to one C(17,19,20) atom. In the tenth H site, H(18) is bonded in a single-bond geometry to one C(18) atom. In the eleventh H site, H(19) is bonded in a single-bond geometry to one C(17,19,20) atom. The H(19)-C(17,19,20) bond length is 1.10 Å. In the twelfth H site, H(20) is bonded in a single-bond geometry to one C(17,19,20) atom. The H(20)-C(17,19,20) bond length is 1.10 Å. In the thirteenth H site, H(21) is bonded in a single-bond geometry to one C(17,19,20) atom. In the fourteenth H site, H(22) is bonded in a single-bond geometry to one C(18) atom. In the fifteenth H site, H(23) is bonded in a single-bond geometry to one C(17,19,20) atom. The H(23)-C(17,19,20) bond length is 1.10 Å. In the sixteenth H site, H(24) is bonded in a single-bond geometry to one C(17,19,20) atom. The H(24)-C(17,19,20) bond length is 1.10 Å. In the seventeenth H site, H(25) is bonded in a single-bond geometry to one C(17,19,20) atom. In the eighteenth H site, H(26) is bonded in a single-bond geometry to one C(18) atom. In the nineteenth H site, H(27) is bonded in a single-bond geometry to one C(17,19,20) atom. The H(27)-C(17,19,20) bond length is 1.10 Å. In the twentieth H site, H(28) is bonded in a single-bond geometry to one C(17,19,20) atom. The H(28)-C(17,19,20) bond length is 1.10 Å. In the twenty-first H site, H(29,31) is bonded in a single-bond geometry to one C(21) atom. In the twenty-second H site, H(30,32) is bonded in a single-bond geometry to one C(22) atom. In the twenty-third H site, H(33,35) is bonded in a single-bond geometry to one C(21) atom. In the twenty-fourth H site, H(34,36) is bonded in a single-bond geometry to one C(22) atom. In the twenty-fifth H site, H(37,39) is bonded in a single-bond geometry to one C(21) atom. In the twenty-sixth H site, H(38,40) is bonded in a single-bond geometry to one C(22) atom. In the twenty-seventh H site, H(49,51) is bonded in a single-bond geometry to one C(29) atom. In the twenty-eighth H site, H(50,52) is bonded in a single-bond geometry to one C(30,31) atom. In the twenty-ninth H site, H(53,55) is bonded in a single-bond geometry to one C(29) atom. In the thirtieth H site, H(54,56) is bonded in a single-bond geometry to one C(30,31) atom. In the thirty-first H site, H(57) is bonded in a single-bond geometry to one C(37,39) atom. In the thirty-second H site, H(58,60) is bonded in a single-bond geometry to one C(38) atom. In the thirty-third H site, H(59) is bonded in a single-bond geometry to one C(37,39) atom. The H(59)-C(37,39) bond length is 1.11 Å. In the thirty-fourth H site, H(61) is bonded in a single-bond geometry to one C(41,42) atom. In the thirty-fifth H site, H(62,64) is bonded in a single-bond geometry to one C(41,42) atom. The H(62,64)-C(41,42) bond length is 1.11 Å. In the thirty-sixth H site, H(63) is bonded in a single-bond geometry to one C(43) atom. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Cu(4); one C(17,19,20); and one C(9,11,12) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Cu(3), one C(10), and one C(18) atom. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one Cu(1); one C(17,19,20); and one C(9,11,12) atom. The S(3)-C(17,19,20) bond length is 1.80 Å. The S(3)-C(9,11,12) bond length is 1.81 Å. In the fourth S site, S(4) is bonded in a trigonal non-coplanar geometry to one Cu(2); one C(17,19,20); and one C(9,11,12) atom. The S(4)-C(17,19,20) bond length is 1.80 Å. The S(4)-C(9,11,12) bond length is 1.81 Å. In the fifth S site, S(5) is bonded in a trigonal non-coplanar geometry to one Cu(8), one C(21), and one C(29) atom. In the sixth S site, S(6) is bonded in a trigonal non-coplanar geometry to one Cu(7); one C(22); and one C(30,31) atom. In the seventh S site, S(7) is bonded in a trigonal non-coplanar geometry to one Cu(5); one C(23); and one C(30,31) atom. The S(7)-C(30,31) bond length is 1.81 Å. In the eighth S site, S(8) is bonded in a trigonal non-coplanar geometry to one Cu(6), one C(24), and one C(32) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(5) and one C(5) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(6) and one C(6) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(7) and one C(7) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(8) and one C(8) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(1,2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(1,2) atom. The O(6)-C(1,2) bond length is 1.28 Å. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Cu(8) and one C(1,2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(7) and one C(1,2) atom. The O(10)-C(1,2) bond length is 1.27 Å. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Cu(5) and one C(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(6) and one C(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Cu(4) and one C(5) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Cu(3) and one C(6) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(7) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Cu(2) and one C(8) atom. In the seventeenth O site, O(17) is bonded in a water-like geometry to one Cu(1) and one C(33,35) atom. In the eighteenth O site, O(18) is bonded in a water-like geometry to one Cu(2) and one C(34) atom. In the nineteenth O site, O(19) is bonded in a water-like geometry to one Cu(3) and one C(33,35) atom. The O(19)-C(33,35) bond length is 1.28 Å. In the twentieth O site, O(20) is bonded in a water-like geometry to one Cu(4) and one C(36) atom. In the twenty-first O site, O(21) is bonded in a water-like geometry to one Cu(5) and one C(45) atom. In the twenty-second O site, O(22) is bonded in a water-like geometry to one Cu(6) and one C(46) atom. In the twenty-third O site, O(23) is bonded in a water-like geometry to one Cu(7) and one C(47) atom. In the twenty-fourth O site, O(24) is bonded in a water-like geometry to one Cu(8) and one C(48) atom. Linkers: 4 CSCC[C@H]([N]C(=O)C(=O)[N][C@@H](CCSC)C([O])=O)C([O])=O. Metal clusters: 8 [Cu]. The MOF has largest included sphere 3.83 A, density 1.65 g/cm3, surface area 3862.00 m2/g, accessible volume 0.19 cm3/g