CsBC6H8OF6 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 13-coordinate geometry to one H(1), one H(3), one H(6), one H(7), one H(8), two equivalent O(1), one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. The Cs(1)-H(1) bond length is 3.34 Å. The Cs(1)-H(3) bond length is 3.23 Å. The Cs(1)-H(6) bond length is 3.42 Å. The Cs(1)-H(7) bond length is 3.33 Å. The Cs(1)-H(8) bond length is 3.32 Å. There is one shorter (3.15 Å) and one longer (3.17 Å) Cs(1)-O(1) bond length. The Cs(1)-F(1) bond length is 3.06 Å. The Cs(1)-F(2) bond length is 3.13 Å. The Cs(1)-F(3) bond length is 3.27 Å. The Cs(1)-F(4) bond length is 3.05 Å. The Cs(1)-F(5) bond length is 3.10 Å. The Cs(1)-F(6) bond length is 3.04 Å. B(1) is bonded in a tetrahedral geometry to one C(4), one C(5), one C(6), and one O(1) atom. The B(1)-C(4) bond length is 1.63 Å. The B(1)-C(5) bond length is 1.65 Å. The B(1)-C(6) bond length is 1.64 Å. The B(1)-O(1) bond length is 1.49 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one H(1), one H(2), and one O(1) atom. The C(1)-H(1) bond length is 1.10 Å. The C(1)-H(2) bond length is 1.10 Å. The C(1)-O(1) bond length is 1.44 Å. In the second C site, C(2) is bonded in a distorted water-like geometry to one H(3) and one H(4) atom. The C(2)-H(3) bond length is 1.10 Å. The C(2)-H(4) bond length is 1.10 Å. In the third C site, C(3) is bonded in a water-like geometry to one C(4), one H(5), and one H(6) atom. The C(3)-C(4) bond length is 1.54 Å. The C(3)-H(5) bond length is 1.10 Å. The C(3)-H(6) bond length is 1.10 Å. In the fourth C site, C(4) is bonded in a 4-coordinate geometry to one B(1), one C(3), one H(7), and one H(8) atom. The C(4)-H(7) bond length is 1.10 Å. The C(4)-H(8) bond length is 1.10 Å. In the fifth C site, C(5) is bonded to one B(1), one F(1), one F(2), and one F(3) atom to form corner-sharing CBF3 tetrahedra. The C(5)-F(1) bond length is 1.40 Å. The C(5)-F(2) bond length is 1.39 Å. The C(5)-F(3) bond length is 1.39 Å. In the sixth C site, C(6) is bonded to one B(1), one F(4), one F(5), and one F(6) atom to form corner-sharing CBF3 tetrahedra. The C(6)-F(4) bond length is 1.40 Å. The C(6)-F(5) bond length is 1.40 Å. The C(6)-F(6) bond length is 1.38 Å. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Cs(1) and one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Cs(1) and one C(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one Cs(1) and one C(3) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one Cs(1) and one C(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one Cs(1) and one C(4) atom. O(1) is bonded in a bent 120 degrees geometry to two equivalent Cs(1), one B(1), and one C(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Cs(1) and one C(5) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Cs(1) and one C(5) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Cs(1) and one C(5) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Cs(1) and one C(6) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Cs(1) and one C(6) atom. In the sixth F site, F(6) is bonded in a single-bond geometry to one Cs(1) and one C(6) atom. Linkers: 4 FC([B]1(CCCCO1)C(F)(F)F)(F)F. Metal clusters: 4 [Cs]. The MOF has largest included sphere 1.80 A, density 2.27 g/cm3, surface area 3330.65 m2/g, accessible volume 0.09 cm3/g