Cu7Zn(CO5)4 crystallizes in the triclinic P1 space group. There are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(16), one O(5), two equivalent O(17), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the second Cu site, Cu(2) is bonded to one O(15), one O(6), two equivalent O(18), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the third Cu site, Cu(3) is bonded to one O(14), one O(7), two equivalent O(19), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the fourth Cu site, Cu(4) is bonded to one O(13), one O(8), two equivalent O(1), and two equivalent O(20) atoms to form distorted edge-sharing CuO6 octahedra. In the fifth Cu site, Cu(5) is bonded to one O(18), one O(9), two equivalent O(14), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the sixth Cu site, Cu(6) is bonded to one O(12), one O(19), two equivalent O(15), and two equivalent O(7) atoms to form a mixture of distorted corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the seventh Cu site, Cu(7) is bonded to one O(11), one O(20), two equivalent O(16), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. Zn(1) is bonded in a 6-coordinate geometry to one O(10), one O(17), two equivalent O(13), and two equivalent O(5) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(17), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(18), and one O(2) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(11), one O(19), and one O(3) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(20), and one O(4) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Cu(4) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cu(3) and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one C(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Cu(1) and one C(4) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Zn(1) atoms. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Cu(2) and two equivalent Cu(5) atoms. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Cu(3) and two equivalent Cu(6) atoms. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Cu(4) and two equivalent Cu(7) atoms. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cu(5) and one C(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cu(7) and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(6) and one C(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Cu(4) and two equivalent Zn(1) atoms. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Cu(3) and two equivalent Cu(5) atoms. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Cu(2) and two equivalent Cu(6) atoms. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent Cu(7) atoms. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cu(1), one Zn(1), and one C(1) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Cu(5), two equivalent Cu(2), and one C(2) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Cu(6), two equivalent Cu(3), and one C(3) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Cu(7), two equivalent Cu(4), and one C(4) atom.
Cu7Zn(CO5)4 crystallizes in the triclinic P1 space group. There are seven inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(16), one O(5), two equivalent O(17), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. The Cu(1)-O(16) bond length is 1.84 Å. The Cu(1)-O(5) bond length is 1.86 Å. There is one shorter (1.96 Å) and one longer (2.42 Å) Cu(1)-O(17) bond length. There is one shorter (1.95 Å) and one longer (2.57 Å) Cu(1)-O(4) bond length. In the second Cu site, Cu(2) is bonded to one O(15), one O(6), two equivalent O(18), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. The Cu(2)-O(15) bond length is 1.85 Å. The Cu(2)-O(6) bond length is 1.91 Å. There is one shorter (1.97 Å) and one longer (2.43 Å) Cu(2)-O(18) bond length. There is one shorter (1.94 Å) and one longer (2.50 Å) Cu(2)-O(3) bond length. In the third Cu site, Cu(3) is bonded to one O(14), one O(7), two equivalent O(19), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. The Cu(3)-O(14) bond length is 1.84 Å. The Cu(3)-O(7) bond length is 1.91 Å. There is one shorter (1.96 Å) and one longer (2.43 Å) Cu(3)-O(19) bond length. There is one shorter (1.94 Å) and one longer (2.54 Å) Cu(3)-O(2) bond length. In the fourth Cu site, Cu(4) is bonded to one O(13), one O(8), two equivalent O(1), and two equivalent O(20) atoms to form distorted edge-sharing CuO6 octahedra. The Cu(4)-O(13) bond length is 1.82 Å. The Cu(4)-O(8) bond length is 1.88 Å. There is one shorter (1.95 Å) and one longer (2.57 Å) Cu(4)-O(1) bond length. There is one shorter (1.97 Å) and one longer (2.46 Å) Cu(4)-O(20) bond length. In the fifth Cu site, Cu(5) is bonded to one O(18), one O(9), two equivalent O(14), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. The Cu(5)-O(18) bond length is 2.16 Å. The Cu(5)-O(9) bond length is 2.04 Å. There is one shorter (1.91 Å) and one longer (2.04 Å) Cu(5)-O(14) bond length. There is one shorter (1.91 Å) and one longer (2.02 Å) Cu(5)-O(6) bond length. In the sixth Cu site, Cu(6) is bonded to one O(12), one O(19), two equivalent O(15), and two equivalent O(7) atoms to form a mixture of distorted corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. The Cu(6)-O(12) bond length is 2.12 Å. The Cu(6)-O(19) bond length is 2.23 Å. There is one shorter (1.91 Å) and one longer (2.02 Å) Cu(6)-O(15) bond length. There is one shorter (1.92 Å) and one longer (2.01 Å) Cu(6)-O(7) bond length. In the seventh Cu site, Cu(7) is bonded to one O(11), one O(20), two equivalent O(16), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. The Cu(7)-O(11) bond length is 2.09 Å. The Cu(7)-O(20) bond length is 2.20 Å. There is one shorter (1.89 Å) and one longer (2.03 Å) Cu(7)-O(16) bond length. There is one shorter (1.91 Å) and one longer (2.03 Å) Cu(7)-O(8) bond length. Zn(1) is bonded in a 6-coordinate geometry to one O(10), one O(17), two equivalent O(13), and two equivalent O(5) atoms. The Zn(1)-O(10) bond length is 2.05 Å. The Zn(1)-O(17) bond length is 2.41 Å. There is one shorter (1.97 Å) and one longer (2.06 Å) Zn(1)-O(13) bond length. There is one shorter (1.98 Å) and one longer (2.04 Å) Zn(1)-O(5) bond length. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(17), and one O(9) atom. The C(1)-O(1) bond length is 1.30 Å. The C(1)-O(17) bond length is 1.32 Å. The C(1)-O(9) bond length is 1.26 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(18), and one O(2) atom. The C(2)-O(10) bond length is 1.25 Å. The C(2)-O(18) bond length is 1.33 Å. The C(2)-O(2) bond length is 1.30 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(11), one O(19), and one O(3) atom. The C(3)-O(11) bond length is 1.25 Å. The C(3)-O(19) bond length is 1.33 Å. The C(3)-O(3) bond length is 1.30 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(20), and one O(4) atom. The C(4)-O(12) bond length is 1.25 Å. The C(4)-O(20) bond length is 1.33 Å. The C(4)-O(4) bond length is 1.30 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Cu(4) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Cu(3) and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one C(3) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Cu(1) and one C(4) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Zn(1) atoms. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Cu(2) and two equivalent Cu(5) atoms. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Cu(3) and two equivalent Cu(6) atoms. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Cu(4) and two equivalent Cu(7) atoms. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cu(5) and one C(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cu(7) and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(6) and one C(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Cu(4) and two equivalent Zn(1) atoms. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Cu(3) and two equivalent Cu(5) atoms. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Cu(2) and two equivalent Cu(6) atoms. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Cu(1) and two equivalent Cu(7) atoms. In the seventeenth O site, O(17) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cu(1), one Zn(1), and one C(1) atom. In the eighteenth O site, O(18) is bonded in a distorted rectangular see-saw-like geometry to one Cu(5), two equivalent Cu(2), and one C(2) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Cu(6), two equivalent Cu(3), and one C(3) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Cu(7), two equivalent Cu(4), and one C(4) atom.