CuC9NH6O3Cl crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one N(1), one O(4), one O(9), and two equivalent O(1) atoms to form edge-sharing CuNO4 square pyramids. The Cu(1)-N(1) bond length is 1.91 Å. The Cu(1)-O(4) bond length is 1.93 Å. The Cu(1)-O(9) bond length is 2.30 Å. There is one shorter (1.97 Å) and one longer (2.01 Å) Cu(1)-O(1) bond length. In the second Cu site, Cu(2,3) is bonded to one N(2), one O(5), one O(7), and two equivalent O(2) atoms to form edge-sharing CuNO4 square pyramids. The Cu(2,3)-N(2) bond length is 1.91 Å. The Cu(2,3)-O(5) bond length is 1.93 Å. The Cu(2,3)-O(7) bond length is 2.29 Å. There is one shorter (1.97 Å) and one longer (2.01 Å) Cu(2,3)-O(2) bond length. There are twenty-three inequivalent C sites. In the first C site, C(1,2) is bonded in a trigonal planar geometry to one C(10), one C(25), and one C(4) atom. The C(1,2)-C(10) bond length is 1.44 Å. The C(1,2)-C(25) bond length is 1.43 Å. The C(1,2)-C(4) bond length is 1.42 Å. In the second C site, C(3) is bonded in a trigonal planar geometry to one C(12), one C(27), and one C(6) atom. The C(3)-C(12) bond length is 1.44 Å. The C(3)-C(27) bond length is 1.43 Å. The C(3)-C(6) bond length is 1.42 Å. In the third C site, C(4) is bonded in a distorted trigonal planar geometry to one C(1,2); one C(19,20); and one H(1,2,3) atom. The C(4)-C(19,20) bond length is 1.39 Å. The C(4)-H(1,2,3) bond length is 1.09 Å. In the fourth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(1,2); one C(19,20); and one H(1,2,3) atom. The C(5)-C(1,2) bond length is 1.42 Å. The C(5)-C(19,20) bond length is 1.39 Å. The C(5)-H(1,2,3) bond length is 1.09 Å. In the fifth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(21); one C(3); and one H(1,2,3) atom. The C(6)-C(21) bond length is 1.39 Å. The C(6)-H(1,2,3) bond length is 1.09 Å. In the sixth C site, C(7) is bonded in a distorted trigonal non-coplanar geometry to one N(1); one H(4,5,6); and one H(7,8,9) atom. The C(7)-N(1) bond length is 1.46 Å. The C(7)-H(4,5,6) bond length is 1.10 Å. The C(7)-H(7,8,9) bond length is 1.10 Å. In the seventh C site, C(8,9) is bonded in a distorted trigonal non-coplanar geometry to one N(2); one H(4,5,6); and one H(7,8,9) atom. The C(8,9)-N(2) bond length is 1.46 Å. The C(8,9)-H(4,5,6) bond length is 1.10 Å. The C(8,9)-H(7,8,9) bond length is 1.10 Å. In the eighth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one C(1,2); one N(1); and one H(10,11,12) atom. The C(10)-N(1) bond length is 1.29 Å. The C(10)-H(10,11,12) bond length is 1.10 Å. In the ninth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one C(1,2); one N(2); and one H(10,11,12) atom. The C(11)-C(1,2) bond length is 1.44 Å. The C(11)-N(2) bond length is 1.29 Å. The C(11)-H(10,11,12) bond length is 1.10 Å. In the tenth C site, C(12) is bonded in a distorted bent 120 degrees geometry to one C(3); one N(3); and one H(10,11,12) atom. The C(12)-N(3) bond length is 1.29 Å. The C(12)-H(10,11,12) bond length is 1.10 Å. In the eleventh C site, C(13) is bonded in a distorted bent 120 degrees geometry to one O(4) and one O(7) atom. The C(13)-O(4) bond length is 1.29 Å. The C(13)-O(7) bond length is 1.25 Å. In the twelfth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(8) atom. The C(14)-O(5) bond length is 1.29 Å. The C(14)-O(8) bond length is 1.25 Å. In the thirteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one O(6) and one O(9) atom. The C(15)-O(6) bond length is 1.29 Å. The C(15)-O(9) bond length is 1.25 Å. In the fourteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(19,20); one C(22,23); and one H(13,14) atom. The C(16)-C(19,20) bond length is 1.40 Å. The C(16)-C(22,23) bond length is 1.39 Å. The C(16)-H(13,14) bond length is 1.09 Å. In the fifteenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(19,20); one C(22,23); and one H(13,14) atom. The C(17)-C(19,20) bond length is 1.40 Å. The C(17)-C(22,23) bond length is 1.39 Å. The C(17)-H(13,14) bond length is 1.09 Å. In the sixteenth C site, C(18) is bonded in a distorted trigonal planar geometry to one C(21), one C(24), and one H(15) atom. The C(18)-C(21) bond length is 1.40 Å. The C(18)-C(24) bond length is 1.39 Å. The C(18)-H(15) bond length is 1.09 Å. In the seventeenth C site, C(19,20) is bonded in a trigonal planar geometry to one C(16); one C(4); and one Cl(1,2) atom. The C(19,20)-Cl(1,2) bond length is 1.73 Å. In the eighteenth C site, C(21) is bonded in a trigonal planar geometry to one C(18), one C(6), and one Cl(3) atom. The C(21)-Cl(3) bond length is 1.73 Å. In the nineteenth C site, C(22,23) is bonded in a distorted trigonal planar geometry to one C(16), one C(25), and one H(16) atom. The C(22,23)-C(25) bond length is 1.41 Å. The C(22,23)-H(16) bond length is 1.09 Å. In the twentieth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(18); one C(27); and one H(17,18) atom. The C(24)-C(27) bond length is 1.41 Å. The C(24)-H(17,18) bond length is 1.09 Å. In the twenty-first C site, C(25) is bonded in a distorted single-bond geometry to one C(1,2); one C(22,23); and one O(1) atom. The C(25)-O(1) bond length is 1.34 Å. In the twenty-second C site, C(26) is bonded in a distorted single-bond geometry to one C(1,2); one C(22,23); and one O(2) atom. The C(26)-C(1,2) bond length is 1.43 Å. The C(26)-C(22,23) bond length is 1.41 Å. The C(26)-O(2) bond length is 1.34 Å. In the twenty-third C site, C(27) is bonded in a distorted single-bond geometry to one C(24), one C(3), and one O(3) atom. The C(27)-O(3) bond length is 1.34 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Cu(1), one C(10), and one C(7) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Cu(2,3); one C(11); and one C(8,9) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Cu(2,3); one C(12); and one C(8,9) atom. The N(3)-Cu(2,3) bond length is 1.91 Å. The N(3)-C(8,9) bond length is 1.46 Å. There are eight inequivalent H sites. In the first H site, H(1,2,3) is bonded in a single-bond geometry to one C(4) atom. In the second H site, H(4,5,6) is bonded in a single-bond geometry to one C(7) atom. In the third H site, H(7,8,9) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(10,11,12) is bonded in a single-bond geometry to one C(10) atom. In the fifth H site, H(13,14) is bonded in a single-bond geometry to one C(16) atom. In the sixth H site, H(15) is bonded in a single-bond geometry to one C(18) atom. In the seventh H site, H(16) is bonded in a single-bond geometry to one C(22,23) atom. In the eighth H site, H(17,18) is bonded in a single-bond geometry to one C(22,23) atom. The H(17,18)-C(22,23) bond length is 1.09 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one C(25) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2,3) and one C(26) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2,3) and one C(27) atom. There is one shorter (1.97 Å) and one longer (2.01 Å) O(3)-Cu(2,3) bond length. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one C(13) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(2,3) and one C(14) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(2,3) and one C(15) atom. The O(6)-Cu(2,3) bond length is 1.93 Å. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cu(2,3) and one C(13) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cu(2,3) and one C(14) atom. The O(8)-Cu(2,3) bond length is 2.29 Å. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cu(1) and one C(15) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1,2) is bonded in a single-bond geometry to one C(19,20) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one C(21) atom. Linkers: 6 [O]C(=O)C/N=C/c1cc(Cl)ccc1[O]. Metal clusters: 6 [Cu]. The MOF has largest included sphere 4.77 A, density 1.88 g/cm3, surface area 3652.30 m2/g, accessible volume 0.13 cm3/g