CsBC3NO2F9 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 13-coordinate geometry to two equivalent O(1), two equivalent O(2), one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), one F(8), and one F(9) atom. B(1) is bonded in a tetrahedral geometry to one C(1), one C(2), one C(3), and one N(1) atom. There are three inequivalent C sites. In the first C site, C(1) is bonded to one B(1), one F(1), one F(2), and one F(8) atom to form corner-sharing CBF3 tetrahedra. In the second C site, C(2) is bonded to one B(1), one F(5), one F(6), and one F(7) atom to form corner-sharing CBF3 tetrahedra. In the third C site, C(3) is bonded to one B(1), one F(3), one F(4), and one F(9) atom to form corner-sharing CBF3 tetrahedra. N(1) is bonded in a trigonal planar geometry to one B(1), one O(1), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one N(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one N(1) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Cs(1) and one C(3) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Cs(1) and one C(3) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the eighth F site, F(8) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Cs(1) and one C(3) atom.
CsBC3NO2F9 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 13-coordinate geometry to two equivalent O(1), two equivalent O(2), one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), one F(8), and one F(9) atom. There is one shorter (3.14 Å) and one longer (3.58 Å) Cs(1)-O(1) bond length. There is one shorter (3.21 Å) and one longer (3.27 Å) Cs(1)-O(2) bond length. The Cs(1)-F(1) bond length is 3.56 Å. The Cs(1)-F(2) bond length is 3.60 Å. The Cs(1)-F(3) bond length is 3.46 Å. The Cs(1)-F(4) bond length is 3.41 Å. The Cs(1)-F(5) bond length is 3.58 Å. The Cs(1)-F(6) bond length is 3.27 Å. The Cs(1)-F(7) bond length is 3.53 Å. The Cs(1)-F(8) bond length is 3.21 Å. The Cs(1)-F(9) bond length is 3.19 Å. B(1) is bonded in a tetrahedral geometry to one C(1), one C(2), one C(3), and one N(1) atom. The B(1)-C(1) bond length is 1.64 Å. The B(1)-C(2) bond length is 1.65 Å. The B(1)-C(3) bond length is 1.65 Å. The B(1)-N(1) bond length is 1.61 Å. There are three inequivalent C sites. In the first C site, C(1) is bonded to one B(1), one F(1), one F(2), and one F(8) atom to form corner-sharing CBF3 tetrahedra. The C(1)-F(1) bond length is 1.38 Å. The C(1)-F(2) bond length is 1.37 Å. The C(1)-F(8) bond length is 1.38 Å. In the second C site, C(2) is bonded to one B(1), one F(5), one F(6), and one F(7) atom to form corner-sharing CBF3 tetrahedra. The C(2)-F(5) bond length is 1.38 Å. The C(2)-F(6) bond length is 1.38 Å. The C(2)-F(7) bond length is 1.38 Å. In the third C site, C(3) is bonded to one B(1), one F(3), one F(4), and one F(9) atom to form corner-sharing CBF3 tetrahedra. The C(3)-F(3) bond length is 1.37 Å. The C(3)-F(4) bond length is 1.38 Å. The C(3)-F(9) bond length is 1.38 Å. N(1) is bonded in a trigonal planar geometry to one B(1), one O(1), and one O(2) atom. The N(1)-O(1) bond length is 1.24 Å. The N(1)-O(2) bond length is 1.25 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one N(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one N(1) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Cs(1) and one C(3) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Cs(1) and one C(3) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the seventh F site, F(7) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the eighth F site, F(8) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Cs(1) and one C(3) atom.