RbNiC2N2Br crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded in a square co-planar geometry to four equivalent Br(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. In the second Ni site, Ni(2) is bonded in a distorted octahedral geometry to four equivalent N(1) and two equivalent Br(1) atoms. C(1) is bonded in a linear geometry to one Ni(1) and one N(1) atom. N(1) is bonded in a linear geometry to one Ni(2) and one C(1) atom. Br(1) is bonded to four equivalent Rb(1) and one Ni(2) atom to form a mixture of corner and edge-sharing BrRb4Ni square pyramids.
RbNiC2N2Br crystallizes in the tetragonal I4/mmm space group. Rb(1) is bonded in a square co-planar geometry to four equivalent Br(1) atoms. All Rb(1)-Br(1) bond lengths are 3.56 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. All Ni(1)-C(1) bond lengths are 1.84 Å. In the second Ni site, Ni(2) is bonded in a distorted octahedral geometry to four equivalent N(1) and two equivalent Br(1) atoms. All Ni(2)-N(1) bond lengths are 2.00 Å. Both Ni(2)-Br(1) bond lengths are 2.72 Å. C(1) is bonded in a linear geometry to one Ni(1) and one N(1) atom. The C(1)-N(1) bond length is 1.17 Å. N(1) is bonded in a linear geometry to one Ni(2) and one C(1) atom. Br(1) is bonded to four equivalent Rb(1) and one Ni(2) atom to form a mixture of corner and edge-sharing BrRb4Ni square pyramids.