CN2I(O2F)3 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four CN2I(O2F)3 clusters. C(1) is bonded in a trigonal non-coplanar geometry to one I(1), one F(1), one F(2), and one F(3) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one N(2) and one I(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one N(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one N(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one N(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one N(1) and one I(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one N(2) and one I(1) atom. I(1) is bonded in a 4-coordinate geometry to one C(1), one O(1), one O(5), and one O(6) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one C(1) atom. In the second F site, F(1) is bonded in a single-bond geometry to one C(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one C(1) atom.
CN2I(O2F)3 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four CN2I(O2F)3 clusters. C(1) is bonded in a trigonal non-coplanar geometry to one I(1), one F(1), one F(2), and one F(3) atom. The C(1)-I(1) bond length is 2.26 Å. The C(1)-F(1) bond length is 1.34 Å. The C(1)-F(2) bond length is 1.34 Å. The C(1)-F(3) bond length is 1.34 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. The N(1)-O(3) bond length is 1.22 Å. The N(1)-O(4) bond length is 1.22 Å. The N(1)-O(5) bond length is 1.43 Å. In the second N site, N(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(6) atom. The N(2)-O(1) bond length is 1.34 Å. The N(2)-O(2) bond length is 1.23 Å. The N(2)-O(6) bond length is 1.25 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one N(2) and one I(1) atom. The O(1)-I(1) bond length is 2.25 Å. In the second O site, O(2) is bonded in a single-bond geometry to one N(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one N(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one N(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one N(1) and one I(1) atom. The O(5)-I(1) bond length is 2.10 Å. In the sixth O site, O(6) is bonded in a single-bond geometry to one N(2) and one I(1) atom. The O(6)-I(1) bond length is 2.72 Å. I(1) is bonded in a 4-coordinate geometry to one C(1), one O(1), one O(5), and one O(6) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one C(1) atom. In the second F site, F(1) is bonded in a single-bond geometry to one C(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one C(1) atom.