Cu2(OH)3Cl crystallizes in the triclinic P-1 space group. There are ten inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted octahedral geometry to two equivalent O(10), two equivalent O(11), and two equivalent O(12) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms. In the fourth Cu site, Cu(4) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(9) atoms. In the fifth Cu site, Cu(5) is bonded in a distorted square co-planar geometry to one O(3), one O(4), one O(5), one O(7), one Cl(2), and one Cl(4) atom. In the sixth Cu site, Cu(6) is bonded in a distorted square co-planar geometry to one O(1), one O(5), one O(6), one O(8), one Cl(2), and one Cl(3) atom. In the seventh Cu site, Cu(7) is bonded in a distorted square co-planar geometry to one O(2), one O(4), one O(6), one O(9), one Cl(3), and one Cl(4) atom. In the eighth Cu site, Cu(8) is bonded in a distorted square co-planar geometry to one O(1), one O(10), one O(11), one O(7), one Cl(1), and one Cl(2) atom. In the ninth Cu site, Cu(9) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(2), one O(8), one Cl(1), and one Cl(3) atom. In the tenth Cu site, Cu(10) is bonded in a distorted square co-planar geometry to one O(10), one O(12), one O(3), one O(9), one Cl(1), and one Cl(4) atom. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(11) and one Cl(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) and one Cl(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(12) and one Cl(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(7) and one Cl(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) and one Cl(4) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(5) and one Cl(1) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(4) and one Cl(1) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(9) and one Cl(2) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(3) and one Cl(3) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(8) and one Cl(4) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(6) and one Cl(1) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(2) and one Cl(2) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(2), one Cu(6), one Cu(8), and one H(5) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(3), one Cu(7), one Cu(9), and one H(12) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(10), one Cu(4), one Cu(5), and one H(9) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(4), one Cu(5), one Cu(7), and one H(7) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(2), one Cu(5), one Cu(6), and one H(6) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cu(3), one Cu(6), one Cu(7), and one H(11) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cu(2), one Cu(5), one Cu(8), and one H(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cu(3), one Cu(6), one Cu(9), and one H(10) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cu(10), one Cu(4), one Cu(7), and one H(8) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(10), one Cu(8), and one H(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(8), one Cu(9), and one H(1) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(10), one Cu(9), and one H(3) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 6-coordinate geometry to one Cu(10), one Cu(8), one Cu(9), one H(11), one H(6), and one H(7) atom. In the second Cl site, Cl(2) is bonded in a 6-coordinate geometry to one Cu(5), one Cu(6), one Cu(8), one H(12), one H(3), and one H(8) atom. In the third Cl site, Cl(3) is bonded in a 6-coordinate geometry to one Cu(6), one Cu(7), one Cu(9), one H(2), one H(4), and one H(9) atom. In the fourth Cl site, Cl(4) is bonded in a 6-coordinate geometry to one Cu(10), one Cu(5), one Cu(7), one H(1), one H(10), and one H(5) atom.
Cu2(OH)3Cl crystallizes in the triclinic P-1 space group. There are ten inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted octahedral geometry to two equivalent O(10), two equivalent O(11), and two equivalent O(12) atoms. Both Cu(1)-O(10) bond lengths are 2.30 Å. Both Cu(1)-O(11) bond lengths are 2.01 Å. Both Cu(1)-O(12) bond lengths are 2.03 Å. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms. Both Cu(2)-O(1) bond lengths are 2.31 Å. Both Cu(2)-O(5) bond lengths are 2.05 Å. Both Cu(2)-O(7) bond lengths are 2.02 Å. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms. Both Cu(3)-O(2) bond lengths are 2.45 Å. Both Cu(3)-O(6) bond lengths are 2.00 Å. Both Cu(3)-O(8) bond lengths are 2.01 Å. In the fourth Cu site, Cu(4) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(9) atoms. Both Cu(4)-O(3) bond lengths are 2.02 Å. Both Cu(4)-O(4) bond lengths are 2.39 Å. Both Cu(4)-O(9) bond lengths are 2.00 Å. In the fifth Cu site, Cu(5) is bonded in a distorted square co-planar geometry to one O(3), one O(4), one O(5), one O(7), one Cl(2), and one Cl(4) atom. The Cu(5)-O(3) bond length is 2.02 Å. The Cu(5)-O(4) bond length is 1.94 Å. The Cu(5)-O(5) bond length is 2.00 Å. The Cu(5)-O(7) bond length is 2.00 Å. The Cu(5)-Cl(2) bond length is 2.92 Å. The Cu(5)-Cl(4) bond length is 2.96 Å. In the sixth Cu site, Cu(6) is bonded in a distorted square co-planar geometry to one O(1), one O(5), one O(6), one O(8), one Cl(2), and one Cl(3) atom. The Cu(6)-O(1) bond length is 1.95 Å. The Cu(6)-O(5) bond length is 2.01 Å. The Cu(6)-O(6) bond length is 2.00 Å. The Cu(6)-O(8) bond length is 2.01 Å. The Cu(6)-Cl(2) bond length is 2.89 Å. The Cu(6)-Cl(3) bond length is 2.87 Å. In the seventh Cu site, Cu(7) is bonded in a distorted square co-planar geometry to one O(2), one O(4), one O(6), one O(9), one Cl(3), and one Cl(4) atom. The Cu(7)-O(2) bond length is 1.94 Å. The Cu(7)-O(4) bond length is 1.94 Å. The Cu(7)-O(6) bond length is 1.99 Å. The Cu(7)-O(9) bond length is 1.99 Å. The Cu(7)-Cl(3) bond length is 2.87 Å. The Cu(7)-Cl(4) bond length is 2.92 Å. In the eighth Cu site, Cu(8) is bonded in a distorted square co-planar geometry to one O(1), one O(10), one O(11), one O(7), one Cl(1), and one Cl(2) atom. The Cu(8)-O(1) bond length is 1.97 Å. The Cu(8)-O(10) bond length is 1.96 Å. The Cu(8)-O(11) bond length is 2.00 Å. The Cu(8)-O(7) bond length is 2.00 Å. The Cu(8)-Cl(1) bond length is 2.95 Å. The Cu(8)-Cl(2) bond length is 2.81 Å. In the ninth Cu site, Cu(9) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(2), one O(8), one Cl(1), and one Cl(3) atom. The Cu(9)-O(11) bond length is 2.00 Å. The Cu(9)-O(12) bond length is 2.00 Å. The Cu(9)-O(2) bond length is 1.93 Å. The Cu(9)-O(8) bond length is 2.01 Å. The Cu(9)-Cl(1) bond length is 2.86 Å. The Cu(9)-Cl(3) bond length is 3.03 Å. In the tenth Cu site, Cu(10) is bonded in a distorted square co-planar geometry to one O(10), one O(12), one O(3), one O(9), one Cl(1), and one Cl(4) atom. The Cu(10)-O(10) bond length is 1.96 Å. The Cu(10)-O(12) bond length is 1.99 Å. The Cu(10)-O(3) bond length is 2.00 Å. The Cu(10)-O(9) bond length is 2.01 Å. The Cu(10)-Cl(1) bond length is 2.93 Å. The Cu(10)-Cl(4) bond length is 2.86 Å. There are twelve inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(11) and one Cl(4) atom. The H(1)-O(11) bond length is 1.00 Å. The H(1)-Cl(4) bond length is 2.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) and one Cl(3) atom. The H(2)-O(10) bond length is 0.99 Å. The H(2)-Cl(3) bond length is 2.07 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(12) and one Cl(2) atom. The H(3)-O(12) bond length is 0.99 Å. The H(3)-Cl(2) bond length is 2.05 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(7) and one Cl(3) atom. The H(4)-O(7) bond length is 1.00 Å. The H(4)-Cl(3) bond length is 2.02 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) and one Cl(4) atom. The H(5)-O(1) bond length is 0.99 Å. The H(5)-Cl(4) bond length is 2.09 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(5) and one Cl(1) atom. The H(6)-O(5) bond length is 1.00 Å. The H(6)-Cl(1) bond length is 2.08 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(4) and one Cl(1) atom. The H(7)-O(4) bond length is 0.99 Å. The H(7)-Cl(1) bond length is 2.10 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(9) and one Cl(2) atom. The H(8)-O(9) bond length is 1.00 Å. The H(8)-Cl(2) bond length is 2.04 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(3) and one Cl(3) atom. The H(9)-O(3) bond length is 1.00 Å. The H(9)-Cl(3) bond length is 2.06 Å. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(8) and one Cl(4) atom. The H(10)-O(8) bond length is 1.00 Å. The H(10)-Cl(4) bond length is 2.06 Å. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(6) and one Cl(1) atom. The H(11)-O(6) bond length is 1.00 Å. The H(11)-Cl(1) bond length is 2.03 Å. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(2) and one Cl(2) atom. The H(12)-O(2) bond length is 0.99 Å. The H(12)-Cl(2) bond length is 2.07 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(2), one Cu(6), one Cu(8), and one H(5) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cu(3), one Cu(7), one Cu(9), and one H(12) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(10), one Cu(4), one Cu(5), and one H(9) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Cu(4), one Cu(5), one Cu(7), and one H(7) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cu(2), one Cu(5), one Cu(6), and one H(6) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cu(3), one Cu(6), one Cu(7), and one H(11) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Cu(2), one Cu(5), one Cu(8), and one H(4) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cu(3), one Cu(6), one Cu(9), and one H(10) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cu(10), one Cu(4), one Cu(7), and one H(8) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(10), one Cu(8), and one H(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(8), one Cu(9), and one H(1) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(10), one Cu(9), and one H(3) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 6-coordinate geometry to one Cu(10), one Cu(8), one Cu(9), one H(11), one H(6), and one H(7) atom. In the second Cl site, Cl(2) is bonded in a 6-coordinate geometry to one Cu(5), one Cu(6), one Cu(8), one H(12), one H(3), and one H(8) atom. In the third Cl site, Cl(3) is bonded in a 6-coordinate geometry to one Cu(6), one Cu(7), one Cu(9), one H(2), one H(4), and one H(9) atom. In the fourth Cl site, Cl(4) is bonded in a 6-coordinate geometry to one Cu(10), one Cu(5), one Cu(7), one H(1), one H(10), and one H(5) atom.