FeH14(C11N6)2(CH)8 crystallizes in the triclinic P-1 space group. The structure consists of twelve acetylene molecules inside a FeH14(C11N6)2 framework. In the FeH14(C11N6)2 framework, there are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to two equivalent N(1,3); two equivalent N(17,18); and two equivalent N(7,8,9) atoms. Both Fe(1)-N(1,3) bond lengths are 1.96 Å. Both Fe(1)-N(17,18) bond lengths are 2.00 Å. Both Fe(1)-N(7,8,9) bond lengths are 1.96 Å. In the second Fe site, Fe(2) is bonded in an octahedral geometry to two equivalent N(17,18); two equivalent N(2); and two equivalent N(7,8,9) atoms. Both Fe(2)-N(17,18) bond lengths are 2.00 Å. Both Fe(2)-N(2) bond lengths are 1.96 Å. Both Fe(2)-N(7,8,9) bond lengths are 1.96 Å. In the third Fe site, Fe(3) is bonded in an octahedral geometry to two equivalent N(1,3); two equivalent N(16); and two equivalent N(7,8,9) atoms. Both Fe(3)-N(1,3) bond lengths are 1.96 Å. Both Fe(3)-N(16) bond lengths are 2.00 Å. Both Fe(3)-N(7,8,9) bond lengths are 1.96 Å. There are twenty-two inequivalent C sites. In the first C site, C(31) is bonded in a distorted trigonal planar geometry to one C(19); one C(28,29); and one H(19,20,21) atom. The C(31)-C(19) bond length is 1.40 Å. The C(31)-C(28,29) bond length is 1.39 Å. The C(31)-H(19,20,21) bond length is 1.09 Å. In the second C site, C(32,33) is bonded in a distorted trigonal planar geometry to one C(20,21); one C(28,29); and one H(19,20,21) atom. The C(32,33)-C(20,21) bond length is 1.40 Å. The C(32,33)-C(28,29) bond length is 1.39 Å. The C(32,33)-H(19,20,21) bond length is 1.09 Å. In the third C site, C(1,2,3) is bonded in a distorted bent 120 degrees geometry to one N(1,3) and one H(1,2,3) atom. The C(1,2,3)-N(1,3) bond length is 1.34 Å. The C(1,2,3)-H(1,2,3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted bent 120 degrees geometry to one N(4,5,6) and one H(4,5,6) atom. The C(4)-N(4,5,6) bond length is 1.34 Å. The C(4)-H(4,5,6) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted bent 120 degrees geometry to one N(4,5,6) and one H(4,5,6) atom. The C(5)-N(4,5,6) bond length is 1.34 Å. The C(5)-H(4,5,6) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted bent 120 degrees geometry to one N(4,5,6) and one H(4,5,6) atom. The C(6)-N(4,5,6) bond length is 1.34 Å. The C(6)-H(4,5,6) bond length is 1.09 Å. In the seventh C site, C(7) is bonded in a distorted trigonal planar geometry to one C(10,11,12); one N(4,5,6); and one H(7,8,9) atom. The C(7)-C(10,11,12) bond length is 1.40 Å. The C(7)-N(4,5,6) bond length is 1.34 Å. The C(7)-H(7,8,9) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(10,11,12); one N(4,5,6); and one H(7,8,9) atom. The C(8)-C(10,11,12) bond length is 1.40 Å. The C(8)-N(4,5,6) bond length is 1.34 Å. The C(8)-H(7,8,9) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(10,11,12); one N(4,5,6); and one H(7,8,9) atom. The C(9)-C(10,11,12) bond length is 1.40 Å. The C(9)-N(4,5,6) bond length is 1.34 Å. The C(9)-H(7,8,9) bond length is 1.09 Å. In the tenth C site, C(10,11,12) is bonded in a distorted trigonal planar geometry to one C(13); one C(7); and one N(1,3) atom. The C(10,11,12)-C(13) bond length is 1.43 Å. The C(10,11,12)-N(1,3) bond length is 1.37 Å. In the eleventh C site, C(13) is bonded in a distorted bent 120 degrees geometry to one C(10,11,12); one N(13); and one N(7,8,9) atom. The C(13)-N(13) bond length is 1.34 Å. The C(13)-N(7,8,9) bond length is 1.36 Å. In the twelfth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one C(10,11,12); one N(14,15); and one N(7,8,9) atom. The C(14)-C(10,11,12) bond length is 1.43 Å. The C(14)-N(14,15) bond length is 1.34 Å. The C(14)-N(7,8,9) bond length is 1.36 Å. In the thirteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(10,11,12); one N(14,15); and one N(7,8,9) atom. The C(15)-C(10,11,12) bond length is 1.43 Å. The C(15)-N(14,15) bond length is 1.34 Å. The C(15)-N(7,8,9) bond length is 1.36 Å. In the fourteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(19), one N(10), and one N(13) atom. The C(16)-C(19) bond length is 1.46 Å. The C(16)-N(10) bond length is 1.36 Å. The C(16)-N(13) bond length is 1.36 Å. In the fifteenth C site, C(17,18) is bonded in a distorted trigonal planar geometry to one C(20,21); one N(11,12); and one N(14,15) atom. The C(17,18)-C(20,21) bond length is 1.46 Å. The C(17,18)-N(11,12) bond length is 1.36 Å. The C(17,18)-N(14,15) bond length is 1.36 Å. In the sixteenth C site, C(19) is bonded in a trigonal planar geometry to one C(16), one C(22), and one C(31) atom. The C(19)-C(22) bond length is 1.40 Å. In the seventeenth C site, C(20,21) is bonded in a trigonal planar geometry to one C(17,18); one C(23,24); and one C(32,33) atom. The C(20,21)-C(23,24) bond length is 1.40 Å. In the eighteenth C site, C(22) is bonded in a distorted single-bond geometry to one C(19); one C(25,26,27); and one H(10,11,12) atom. The C(22)-C(25,26,27) bond length is 1.38 Å. The C(22)-H(10,11,12) bond length is 1.09 Å. In the nineteenth C site, C(23,24) is bonded in a distorted single-bond geometry to one C(20,21); one C(25,26,27); and one H(10,11,12) atom. The C(23,24)-C(25,26,27) bond length is 1.38 Å. The C(23,24)-H(10,11,12) bond length is 1.09 Å. In the twentieth C site, C(25,26,27) is bonded in a distorted trigonal planar geometry to one C(22); one N(16); and one H(13,14,15) atom. The C(25,26,27)-N(16) bond length is 1.35 Å. The C(25,26,27)-H(13,14,15) bond length is 1.09 Å. In the twenty-first C site, C(28,29) is bonded in a distorted trigonal planar geometry to one C(31), one N(16), and one H(16) atom. The C(28,29)-N(16) bond length is 1.36 Å. The C(28,29)-H(16) bond length is 1.09 Å. In the twenty-second C site, C(30) is bonded in a distorted trigonal planar geometry to one C(32,33); one N(17,18); and one H(17,18) atom. The C(30)-C(32,33) bond length is 1.39 Å. The C(30)-N(17,18) bond length is 1.36 Å. The C(30)-H(17,18) bond length is 1.09 Å. There are ten inequivalent N sites. In the first N site, N(1,3) is bonded in a trigonal planar geometry to one Fe(1); one C(1,2,3); and one C(10,11,12) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Fe(2); one C(1,2,3); and one C(10,11,12) atom. The N(2)-C(1,2,3) bond length is 1.34 Å. The N(2)-C(10,11,12) bond length is 1.37 Å. In the third N site, N(4,5,6) is bonded in a bent 120 degrees geometry to one C(4) and one C(7) atom. In the fourth N site, N(7,8,9) is bonded in a distorted trigonal planar geometry to one Fe(1), one C(13), and one N(10) atom. The N(7,8,9)-N(10) bond length is 1.35 Å. In the fifth N site, N(10) is bonded in a water-like geometry to one C(16) and one N(7,8,9) atom. In the sixth N site, N(11,12) is bonded in a water-like geometry to one C(17,18) and one N(7,8,9) atom. The N(11,12)-N(7,8,9) bond length is 1.35 Å. In the seventh N site, N(13) is bonded in a water-like geometry to one C(13) and one C(16) atom. In the eighth N site, N(14,15) is bonded in a water-like geometry to one C(14) and one C(17,18) atom. In the ninth N site, N(16) is bonded in a trigonal planar geometry to one Fe(3); one C(25,26,27); and one C(28,29) atom. In the tenth N site, N(17,18) is bonded in a trigonal planar geometry to one Fe(1); one C(25,26,27); and one C(28,29) atom. The N(17,18)-C(25,26,27) bond length is 1.35 Å. The N(17,18)-C(28,29) bond length is 1.36 Å. There are eight inequivalent H sites. In the first H site, H(1,2,3) is bonded in a single-bond geometry to one C(1,2,3) atom. In the second H site, H(4,5,6) is bonded in a single-bond geometry to one C(4) atom. In the third H site, H(7,8,9) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(10,11,12) is bonded in a single-bond geometry to one C(22) atom. In the fifth H site, H(13,14,15) is bonded in a single-bond geometry to one C(25,26,27) atom. In the sixth H site, H(16) is bonded in a single-bond geometry to one C(28,29) atom. In the seventh H site, H(17,18) is bonded in a single-bond geometry to one C(28,29) atom. The H(17,18)-C(28,29) bond length is 1.09 Å. In the eighth H site, H(19,20,21) is bonded in a single-bond geometry to one C(31) atom. Linkers: 6 c1cc(C2=NN=C(c3cnccn3)[N]2)ccn1. Metal clusters: 3 [Fe]. The MOF has largest included sphere 4.50 A, density 1.40 g/cm3, surface area 5244.64 m2/g, accessible volume 0.22 cm3/g