FeC18H16(N3S)2(CH)8 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four isobutylene molecules and two FeC18H16(N3S)2 clusters. In each FeC18H16(N3S)2 cluster, Fe(1) is bonded in an octahedral geometry to one N(1), one N(10), one N(2), one N(5), one N(6), and one N(9) atom. The Fe(1)-N(1) bond length is 2.35 Å. The Fe(1)-N(10) bond length is 1.91 Å. The Fe(1)-N(2) bond length is 2.21 Å. The Fe(1)-N(5) bond length is 1.99 Å. The Fe(1)-N(6) bond length is 2.00 Å. The Fe(1)-N(9) bond length is 1.91 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(29), one C(37), and one C(9) atom. The C(1)-C(29) bond length is 1.40 Å. The C(1)-C(37) bond length is 1.50 Å. The C(1)-C(9) bond length is 1.40 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(10), one C(30), and one C(38) atom. The C(2)-C(10) bond length is 1.40 Å. The C(2)-C(30) bond length is 1.40 Å. The C(2)-C(38) bond length is 1.50 Å. In the third C site, C(9) is bonded in a distorted single-bond geometry to one C(1), one C(21), and one H(1) atom. The C(9)-C(21) bond length is 1.39 Å. The C(9)-H(1) bond length is 1.09 Å. In the fourth C site, C(10) is bonded in a distorted single-bond geometry to one C(2), one C(22), and one H(2) atom. The C(10)-C(22) bond length is 1.39 Å. The C(10)-H(2) bond length is 1.09 Å. In the fifth C site, C(17) is bonded in a single-bond geometry to one N(9) and one S(1) atom. The C(17)-N(9) bond length is 1.19 Å. The C(17)-S(1) bond length is 1.62 Å. In the sixth C site, C(18) is bonded in a single-bond geometry to one N(10) and one S(2,4) atom. The C(18)-N(10) bond length is 1.19 Å. The C(18)-S(2,4) bond length is 1.62 Å. In the seventh C site, C(21) is bonded in a distorted trigonal planar geometry to one C(9), one N(1), and one H(9) atom. The C(21)-N(1) bond length is 1.34 Å. The C(21)-H(9) bond length is 1.09 Å. In the eighth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(10), one N(2), and one H(10) atom. The C(22)-N(2) bond length is 1.35 Å. The C(22)-H(10) bond length is 1.09 Å. In the ninth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one N(5) and one H(13) atom. The C(25)-N(5) bond length is 1.36 Å. The C(25)-H(13) bond length is 1.09 Å. In the tenth C site, C(26) is bonded in a distorted trigonal planar geometry to one N(6) and one H(14) atom. The C(26)-N(6) bond length is 1.36 Å. The C(26)-H(14) bond length is 1.09 Å. In the eleventh C site, C(29) is bonded in a distorted single-bond geometry to one C(1), one C(45), and one H(17) atom. The C(29)-C(45) bond length is 1.39 Å. The C(29)-H(17) bond length is 1.09 Å. In the twelfth C site, C(30) is bonded in a distorted single-bond geometry to one C(2), one C(46), and one H(18) atom. The C(30)-C(46) bond length is 1.39 Å. The C(30)-H(18) bond length is 1.09 Å. In the thirteenth C site, C(37) is bonded in a distorted water-like geometry to one C(1), one H(25), and one H(33) atom. The C(37)-H(25) bond length is 1.10 Å. The C(37)-H(33) bond length is 1.10 Å. In the fourteenth C site, C(38) is bonded in a distorted water-like geometry to one C(2), one H(26), and one H(34) atom. The C(38)-H(26) bond length is 1.10 Å. The C(38)-H(34) bond length is 1.10 Å. In the fifteenth C site, C(45) is bonded in a distorted trigonal planar geometry to one C(29), one N(1), and one H(41) atom. The C(45)-N(1) bond length is 1.34 Å. The C(45)-H(41) bond length is 1.09 Å. In the sixteenth C site, C(46) is bonded in a distorted trigonal planar geometry to one C(30), one N(2), and one H(42) atom. The C(46)-N(2) bond length is 1.35 Å. The C(46)-H(42) bond length is 1.09 Å. In the seventeenth C site, C(49) is bonded in a distorted trigonal planar geometry to one N(5) and one H(45) atom. The C(49)-N(5) bond length is 1.36 Å. The C(49)-H(45) bond length is 1.09 Å. In the eighteenth C site, C(50) is bonded in a distorted bent 120 degrees geometry to one N(6) and one H(46) atom. The C(50)-N(6) bond length is 1.36 Å. The C(50)-H(46) bond length is 1.09 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Fe(1), one C(21), and one C(45) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Fe(1), one C(22), and one C(46) atom. In the third N site, N(5) is bonded in a trigonal planar geometry to one Fe(1), one C(25), and one C(49) atom. In the fourth N site, N(6) is bonded in a trigonal planar geometry to one Fe(1), one C(26), and one C(50) atom. In the fifth N site, N(9) is bonded in a linear geometry to one Fe(1) and one C(17) atom. In the sixth N site, N(10) is bonded in a linear geometry to one Fe(1) and one C(18) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(10) atom. In the third H site, H(9) is bonded in a single-bond geometry to one C(21) atom. In the fourth H site, H(10) is bonded in a single-bond geometry to one C(22) atom. In the fifth H site, H(13) is bonded in a single-bond geometry to one C(25) atom. In the sixth H site, H(14) is bonded in a single-bond geometry to one C(26) atom. In the seventh H site, H(17) is bonded in a single-bond geometry to one C(29) atom. In the eighth H site, H(18) is bonded in a single-bond geometry to one C(30) atom. In the ninth H site, H(25) is bonded in a single-bond geometry to one C(37) atom. In the tenth H site, H(26) is bonded in a single-bond geometry to one C(38) atom. In the eleventh H site, H(33) is bonded in a single-bond geometry to one C(37) atom. In the twelfth H site, H(34) is bonded in a single-bond geometry to one C(38) atom. In the thirteenth H site, H(41) is bonded in a single-bond geometry to one C(45) atom. In the fourteenth H site, H(42) is bonded in a single-bond geometry to one C(46) atom. In the fifteenth H site, H(45) is bonded in a single-bond geometry to one C(49) atom. In the sixteenth H site, H(46) is bonded in a single-bond geometry to one C(50) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one C(17) atom. In the second S site, S(2,4) is bonded in a single-bond geometry to one C(18) atom. Linkers: 2 c1cc(CCc2ccncc2)ccn1. Metal clusters: 2 [Fe]. The MOF has largest included sphere 5.64 A, density 1.00 g/cm3, surface area 5463.53 m2/g, accessible volume 0.45 cm3/g