FeZnC2H4(N5F2)2 crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1,3) is bonded in an octahedral geometry to one N(1,16); one N(11); one F(1,7); one F(2,8); one F(3,9); and one F(4,10) atom. The Fe(1,3)-N(1,16) bond length is 2.16 Å. The Fe(1,3)-N(11) bond length is 2.11 Å. The Fe(1,3)-F(1,7) bond length is 1.91 Å. The Fe(1,3)-F(2,8) bond length is 1.92 Å. The Fe(1,3)-F(3,9) bond length is 1.90 Å. The Fe(1,3)-F(4,10) bond length is 1.92 Å. In the second Fe site, Fe(2) is bonded to one N(14), one N(24), one N(28), one N(8), one F(12), and one F(6) atom to form FeN4F2 octahedra that share corners with two equivalent Zn(2)N4F2 octahedra. The corner-sharing octahedral tilt angles are 71°. The Fe(2)-N(14) bond length is 2.13 Å. The Fe(2)-N(24) bond length is 2.16 Å. The Fe(2)-N(28) bond length is 2.16 Å. The Fe(2)-N(8) bond length is 2.21 Å. The Fe(2)-F(12) bond length is 2.01 Å. The Fe(2)-F(6) bond length is 2.02 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1,3) is bonded to one N(3,18); one N(4,19); one N(6); and two equivalent F(5,11) atoms to form distorted corner-sharing ZnN3F2 trigonal bipyramids. The Zn(1,3)-N(3,18) bond length is 2.10 Å. The Zn(1,3)-N(4,19) bond length is 2.05 Å. The Zn(1,3)-N(6) bond length is 2.01 Å. There is one shorter (1.99 Å) and one longer (2.00 Å) Zn(1,3)-F(5,11) bond length. In the second Zn site, Zn(2) is bonded to one N(13), one N(23), one N(29), one N(9), one F(12), and one F(6) atom to form ZnN4F2 octahedra that share corners with two equivalent Fe(2)N4F2 octahedra. The corner-sharing octahedral tilt angles are 71°. The Zn(2)-N(13) bond length is 2.16 Å. The Zn(2)-N(23) bond length is 2.21 Å. The Zn(2)-N(29) bond length is 2.13 Å. The Zn(2)-N(9) bond length is 2.16 Å. The Zn(2)-F(12) bond length is 2.02 Å. The Zn(2)-F(6) bond length is 2.01 Å. There are five inequivalent C sites. In the first C site, C(1,4) is bonded in a trigonal planar geometry to one N(1,16); one N(4,19); and one N(5,20) atom. The C(1,4)-N(1,16) bond length is 1.35 Å. The C(1,4)-N(4,19) bond length is 1.33 Å. The C(1,4)-N(5,20) bond length is 1.35 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(10,25); one N(6); and one N(9) atom. The C(2)-N(10,25) bond length is 1.38 Å. The C(2)-N(6) bond length is 1.35 Å. The C(2)-N(9) bond length is 1.33 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one N(11); one N(14); and one N(15,30) atom. The C(3)-N(11) bond length is 1.36 Å. The C(3)-N(14) bond length is 1.35 Å. The C(3)-N(15,30) bond length is 1.36 Å. In the fourth C site, C(5) is bonded in a trigonal planar geometry to one N(10,25); one N(21); and one N(24) atom. The C(5)-N(10,25) bond length is 1.38 Å. The C(5)-N(21) bond length is 1.35 Å. The C(5)-N(24) bond length is 1.33 Å. In the fifth C site, C(6) is bonded in a trigonal planar geometry to one N(15,30); one N(26); and one N(29) atom. The C(6)-N(15,30) bond length is 1.36 Å. The C(6)-N(26) bond length is 1.36 Å. The C(6)-N(29) bond length is 1.35 Å. There are twenty-three inequivalent N sites. In the first N site, N(1,16) is bonded in a distorted trigonal planar geometry to one Fe(1,3); one C(1,4); and one N(2,17) atom. The N(1,16)-N(2,17) bond length is 1.37 Å. In the second N site, N(2,17) is bonded in a water-like geometry to one N(1,16) and one N(3,18) atom. The N(2,17)-N(3,18) bond length is 1.29 Å. In the third N site, N(3,18) is bonded in a distorted trigonal planar geometry to one Zn(1,3); one N(2,17); and one N(4,19) atom. The N(3,18)-N(4,19) bond length is 1.38 Å. In the fourth N site, N(4,19) is bonded in a 3-coordinate geometry to one Zn(1,3); one C(1,4); and one N(3,18) atom. In the fifth N site, N(5,20) is bonded in a trigonal planar geometry to one C(1,4) and two equivalent H(1,2,7,8) atoms. Both N(5,20)-H(1,2,7,8) bond lengths are 0.86 Å. In the sixth N site, N(6) is bonded in a 3-coordinate geometry to one Zn(1,3); one C(2); and one N(7) atom. The N(6)-N(7) bond length is 1.35 Å. In the seventh N site, N(7) is bonded in a water-like geometry to one N(6) and one N(8) atom. The N(7)-N(8) bond length is 1.30 Å. In the eighth N site, N(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one N(7), and one N(9) atom. The N(8)-N(9) bond length is 1.35 Å. In the ninth N site, N(9) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(2), and one N(8) atom. In the tenth N site, N(10,25) is bonded in a trigonal planar geometry to one C(2) and two equivalent H(3,4,9,10) atoms. Both N(10,25)-H(3,4,9,10) bond lengths are 0.86 Å. In the eleventh N site, N(11) is bonded in a distorted trigonal planar geometry to one Fe(1,3); one C(3); and one N(12) atom. The N(11)-N(12) bond length is 1.35 Å. In the twelfth N site, N(12) is bonded in a water-like geometry to one N(11) and one N(13) atom. The N(12)-N(13) bond length is 1.30 Å. In the thirteenth N site, N(13) is bonded in a distorted trigonal planar geometry to one Zn(2), one N(12), and one N(14) atom. The N(13)-N(14) bond length is 1.34 Å. In the fourteenth N site, N(14) is bonded in a distorted trigonal planar geometry to one Fe(2), one C(3), and one N(13) atom. In the fifteenth N site, N(15,30) is bonded in a trigonal planar geometry to one C(3); one H(5,11); and one H(6,12) atom. The N(15,30)-H(5,11) bond length is 0.86 Å. The N(15,30)-H(6,12) bond length is 0.86 Å. In the sixteenth N site, N(21) is bonded in a 3-coordinate geometry to one Zn(1,3); one C(5); and one N(22) atom. The N(21)-Zn(1,3) bond length is 2.01 Å. The N(21)-N(22) bond length is 1.35 Å. In the seventeenth N site, N(22) is bonded in a water-like geometry to one N(21) and one N(23) atom. The N(22)-N(23) bond length is 1.30 Å. In the eighteenth N site, N(23) is bonded in a distorted trigonal planar geometry to one Zn(2), one N(22), and one N(24) atom. The N(23)-N(24) bond length is 1.35 Å. In the nineteenth N site, N(24) is bonded in a distorted trigonal planar geometry to one Fe(2), one C(5), and one N(23) atom. In the twentieth N site, N(26) is bonded in a distorted trigonal planar geometry to one Fe(1,3); one C(6); and one N(27) atom. The N(26)-Fe(1,3) bond length is 2.11 Å. The N(26)-N(27) bond length is 1.35 Å. In the twenty-first N site, N(27) is bonded in a water-like geometry to one N(26) and one N(28) atom. The N(27)-N(28) bond length is 1.30 Å. In the twenty-second N site, N(28) is bonded in a distorted trigonal planar geometry to one Fe(2), one N(27), and one N(29) atom. The N(28)-N(29) bond length is 1.34 Å. In the twenty-third N site, N(29) is bonded in a distorted trigonal planar geometry to one Zn(2), one C(6), and one N(28) atom. There are four inequivalent H sites. In the first H site, H(1,2,7,8) is bonded in a single-bond geometry to one N(5,20) atom. In the second H site, H(3,4,9,10) is bonded in a single-bond geometry to one N(10,25) atom. In the third H site, H(5,11) is bonded in a single-bond geometry to one N(15,30) atom. In the fourth H site, H(6,12) is bonded in a single-bond geometry to one N(15,30) atom. There are seven inequivalent F sites. In the first F site, F(1,7) is bonded in a single-bond geometry to one Fe(1,3) atom. In the second F site, F(2,8) is bonded in a single-bond geometry to one Fe(1,3) atom. In the third F site, F(3,9) is bonded in a single-bond geometry to one Fe(1,3) atom. In the fourth F site, F(4,10) is bonded in a single-bond geometry to one Fe(1,3) atom. In the fifth F site, F(5,11) is bonded in a bent 120 degrees geometry to two equivalent Zn(1,3) atoms. In the sixth F site, F(6) is bonded in a water-like geometry to one Fe(2) and one Zn(2) atom. In the seventh F site, F(12) is bonded in a water-like geometry to one Fe(2) and one Zn(2) atom. Linkers: 2 NC1=NN=N[N]1 ,2 Nc1nnnn1[Fe](F)(F)(F)(F)n1nnnc1N. Metal clusters: 3 [Zn] ,1 [Fe]. The MOF has largest included sphere 4.01 A, density 1.75 g/cm3, surface area 3123.84 m2/g, accessible volume 0.27 cm3/g