LiC6N4F3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted tetrahedral geometry to one N(1), one N(2), one N(3), and one N(4) atom. The Li(1)-N(1) bond length is 2.11 Å. The Li(1)-N(2) bond length is 2.04 Å. The Li(1)-N(3) bond length is 2.08 Å. The Li(1)-N(4) bond length is 2.26 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(2), one C(5), and one N(1) atom. The C(1)-C(2) bond length is 1.39 Å. The C(1)-C(5) bond length is 1.42 Å. The C(1)-N(1) bond length is 1.36 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(3), and one N(4) atom. The C(2)-C(3) bond length is 1.42 Å. The C(2)-N(4) bond length is 1.37 Å. In the third C site, C(3) is bonded in a linear geometry to one C(2) and one N(3) atom. The C(3)-N(3) bond length is 1.15 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(6), one N(1), and one N(4) atom. The C(4)-C(6) bond length is 1.50 Å. The C(4)-N(1) bond length is 1.34 Å. The C(4)-N(4) bond length is 1.34 Å. In the fifth C site, C(5) is bonded in a distorted linear geometry to one C(1) and one N(2) atom. The C(5)-N(2) bond length is 1.15 Å. In the sixth C site, C(6) is bonded in a trigonal non-coplanar geometry to one C(4), one F(1), one F(2), and one F(3) atom. The C(6)-F(1) bond length is 1.34 Å. The C(6)-F(2) bond length is 1.34 Å. The C(6)-F(3) bond length is 1.33 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Li(1), one C(1), and one C(4) atom. In the second N site, N(2) is bonded in a linear geometry to one Li(1) and one C(5) atom. In the third N site, N(3) is bonded in a linear geometry to one Li(1) and one C(3) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Li(1), one C(2), and one C(4) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one C(6) atom. In the second F site, F(3) is bonded in a single-bond geometry to one C(6) atom. In the third F site, F(1) is bonded in a single-bond geometry to one C(6) atom. Linkers: 5 N#CC1=C(C#N)N=C(C(F)(F)F)[N]1 ,3 N#C[C]1N=C(C(F)(F)F)N=C1C#N. Metal clusters: 8 [Li]. The MOF has largest included sphere 4.53 A, density 1.26 g/cm3, surface area 4174.30 m2/g, accessible volume 0.31 cm3/g