CuReO4 crystallizes in the triclinic P-1 space group. Re(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. Cu(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing CuO6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Re(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Re(1) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Re(1) and two equivalent Cu(1) atoms.
CuReO4 crystallizes in the triclinic P-1 space group. Re(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. The Re(1)-O(2) bond length is 1.78 Å. The Re(1)-O(4) bond length is 1.81 Å. There is one shorter (1.85 Å) and one longer (2.24 Å) Re(1)-O(1) bond length. There is one shorter (1.96 Å) and one longer (2.06 Å) Re(1)-O(3) bond length. Cu(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing CuO6 octahedra. The Cu(1)-O(1) bond length is 2.28 Å. The Cu(1)-O(3) bond length is 2.04 Å. There is one shorter (2.06 Å) and one longer (2.36 Å) Cu(1)-O(2) bond length. There is one shorter (2.07 Å) and one longer (2.14 Å) Cu(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Re(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Re(1) and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Re(1) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Re(1) and two equivalent Cu(1) atoms.