FePdH8(C3N)6(C4H3)2(CH)6(C3H2)2 crystallizes in the triclinic P1 space group. The structure consists of twelve 02329_fluka molecules; two 2,3-dimethyl-1,3-butadiene molecules; and two o-xylene molecules inside a FePdH8(C3N)6 framework. In the FePdH8(C3N)6 framework, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to one N(1), one N(11), one N(12), one N(2), one N(3), and one N(4) atom. The Fe(1)-N(1) bond length is 2.16 Å. The Fe(1)-N(11) bond length is 2.10 Å. The Fe(1)-N(12) bond length is 2.10 Å. The Fe(1)-N(2) bond length is 2.16 Å. The Fe(1)-N(3) bond length is 2.09 Å. The Fe(1)-N(4) bond length is 2.09 Å. In the second Fe site, Fe(2) is bonded in an octahedral geometry to one N(10), one N(5), one N(6), one N(7), one N(8), and one N(9) atom. The Fe(2)-N(10) bond length is 2.46 Å. The Fe(2)-N(5) bond length is 1.90 Å. The Fe(2)-N(6) bond length is 1.90 Å. The Fe(2)-N(7) bond length is 1.91 Å. The Fe(2)-N(8) bond length is 1.92 Å. The Fe(2)-N(9) bond length is 2.01 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a rectangular see-saw-like geometry to one C(15), one C(17), one C(19), and one C(21) atom. The Pd(1)-C(15) bond length is 1.96 Å. The Pd(1)-C(17) bond length is 1.98 Å. The Pd(1)-C(19) bond length is 1.99 Å. The Pd(1)-C(21) bond length is 1.96 Å. In the second Pd site, Pd(2) is bonded in a rectangular see-saw-like geometry to one C(16), one C(18), one C(20), and one C(22) atom. The Pd(2)-C(16) bond length is 1.96 Å. The Pd(2)-C(18) bond length is 1.98 Å. The Pd(2)-C(20) bond length is 1.99 Å. The Pd(2)-C(22) bond length is 1.96 Å. There are thirty-six inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal planar geometry to one C(3), one N(1), and one H(1) atom. The C(1)-C(3) bond length is 1.38 Å. The C(1)-N(1) bond length is 1.35 Å. The C(1)-H(1) bond length is 1.09 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(4), one N(2), and one H(2) atom. The C(2)-C(4) bond length is 1.38 Å. The C(2)-N(2) bond length is 1.35 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(1), one C(5), and one H(3) atom. The C(3)-C(5) bond length is 1.41 Å. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one H(4) atom. The C(4)-C(6) bond length is 1.41 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(11), one C(3), and one C(7) atom. The C(5)-C(11) bond length is 1.41 Å. The C(5)-C(7) bond length is 1.41 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one C(12), one C(4), and one C(8) atom. The C(6)-C(12) bond length is 1.41 Å. The C(6)-C(8) bond length is 1.41 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(5), one C(9), and one H(5) atom. The C(7)-C(9) bond length is 1.39 Å. The C(7)-H(5) bond length is 1.09 Å. In the eighth C site, C(8) is bonded in a distorted single-bond geometry to one C(10), one C(6), and one H(6) atom. The C(8)-C(10) bond length is 1.38 Å. The C(8)-H(6) bond length is 1.09 Å. In the ninth C site, C(9) is bonded in a distorted trigonal planar geometry to one C(7), one N(1), and one H(7) atom. The C(9)-N(1) bond length is 1.35 Å. The C(9)-H(7) bond length is 1.09 Å. In the tenth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(8), one N(2), and one H(8) atom. The C(10)-N(2) bond length is 1.35 Å. The C(10)-H(8) bond length is 1.09 Å. In the eleventh C site, C(11) is bonded in a linear geometry to one C(13) and one C(5) atom. The C(11)-C(13) bond length is 1.23 Å. In the twelfth C site, C(12) is bonded in a linear geometry to one C(14) and one C(6) atom. The C(12)-C(14) bond length is 1.23 Å. In the thirteenth C site, C(13) is bonded in a linear geometry to one C(11) and one C(35) atom. The C(13)-C(35) bond length is 1.34 Å. In the fourteenth C site, C(14) is bonded in a linear geometry to one C(12) and one C(36) atom. The C(14)-C(36) bond length is 1.34 Å. In the fifteenth C site, C(15) is bonded in a linear geometry to one Pd(1) and one N(3) atom. The C(15)-N(3) bond length is 1.17 Å. In the sixteenth C site, C(16) is bonded in a linear geometry to one Pd(2) and one N(4) atom. The C(16)-N(4) bond length is 1.17 Å. In the seventeenth C site, C(17) is bonded in a distorted linear geometry to one Pd(1) and one N(5) atom. The C(17)-N(5) bond length is 1.17 Å. In the eighteenth C site, C(18) is bonded in a distorted linear geometry to one Pd(2) and one N(6) atom. The C(18)-N(6) bond length is 1.17 Å. In the nineteenth C site, C(19) is bonded in a linear geometry to one Pd(1) and one N(7) atom. The C(19)-N(7) bond length is 1.17 Å. In the twentieth C site, C(20) is bonded in a linear geometry to one Pd(2) and one N(8) atom. The C(20)-N(8) bond length is 1.17 Å. In the twenty-first C site, C(21) is bonded in a distorted linear geometry to one Pd(1) and one N(11) atom. The C(21)-N(11) bond length is 1.17 Å. In the twenty-second C site, C(22) is bonded in a distorted linear geometry to one Pd(2) and one N(12) atom. The C(22)-N(12) bond length is 1.17 Å. In the twenty-third C site, C(23) is bonded in a distorted trigonal planar geometry to one C(25), one N(9), and one H(9) atom. The C(23)-C(25) bond length is 1.38 Å. The C(23)-N(9) bond length is 1.36 Å. The C(23)-H(9) bond length is 1.09 Å. In the twenty-fourth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(26), one N(10), and one H(10) atom. The C(24)-C(26) bond length is 1.39 Å. The C(24)-N(10) bond length is 1.34 Å. The C(24)-H(10) bond length is 1.09 Å. In the twenty-fifth C site, C(25) is bonded in a distorted trigonal planar geometry to one C(23), one C(27), and one H(11) atom. The C(25)-C(27) bond length is 1.41 Å. The C(25)-H(11) bond length is 1.09 Å. In the twenty-sixth C site, C(26) is bonded in a distorted trigonal planar geometry to one C(24), one C(28), and one H(12) atom. The C(26)-C(28) bond length is 1.41 Å. The C(26)-H(12) bond length is 1.09 Å. In the twenty-seventh C site, C(27) is bonded in a trigonal planar geometry to one C(25), one C(29), and one C(33) atom. The C(27)-C(29) bond length is 1.41 Å. The C(27)-C(33) bond length is 1.40 Å. In the twenty-eighth C site, C(28) is bonded in a trigonal planar geometry to one C(26), one C(30), and one C(34) atom. The C(28)-C(30) bond length is 1.41 Å. The C(28)-C(34) bond length is 1.41 Å. In the twenty-ninth C site, C(29) is bonded in a distorted single-bond geometry to one C(27), one C(31), and one H(13) atom. The C(29)-C(31) bond length is 1.38 Å. The C(29)-H(13) bond length is 1.09 Å. In the thirtieth C site, C(30) is bonded in a distorted single-bond geometry to one C(28), one C(32), and one H(14) atom. The C(30)-C(32) bond length is 1.39 Å. The C(30)-H(14) bond length is 1.09 Å. In the thirty-first C site, C(31) is bonded in a distorted trigonal planar geometry to one C(29), one N(9), and one H(15) atom. The C(31)-N(9) bond length is 1.36 Å. The C(31)-H(15) bond length is 1.09 Å. In the thirty-second C site, C(32) is bonded in a distorted trigonal planar geometry to one C(30), one N(10), and one H(16) atom. The C(32)-N(10) bond length is 1.34 Å. The C(32)-H(16) bond length is 1.09 Å. In the thirty-third C site, C(33) is bonded in a linear geometry to one C(27) and one C(35) atom. The C(33)-C(35) bond length is 1.23 Å. In the thirty-fourth C site, C(34) is bonded in a linear geometry to one C(28) and one C(36) atom. The C(34)-C(36) bond length is 1.23 Å. In the thirty-fifth C site, C(35) is bonded in a linear geometry to one C(13) and one C(33) atom. In the thirty-sixth C site, C(36) is bonded in a linear geometry to one C(14) and one C(34) atom. There are twelve inequivalent N sites. In the first N site, N(2) is bonded in a trigonal planar geometry to one Fe(1), one C(10), and one C(2) atom. In the second N site, N(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one C(15) atom. In the third N site, N(4) is bonded in a bent 150 degrees geometry to one Fe(1) and one C(16) atom. In the fourth N site, N(1) is bonded in a trigonal planar geometry to one Fe(1), one C(1), and one C(9) atom. In the fifth N site, N(11) is bonded in a bent 150 degrees geometry to one Fe(1) and one C(21) atom. In the sixth N site, N(12) is bonded in a bent 150 degrees geometry to one Fe(1) and one C(22) atom. In the seventh N site, N(7) is bonded in a linear geometry to one Fe(2) and one C(19) atom. In the eighth N site, N(8) is bonded in a linear geometry to one Fe(2) and one C(20) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Fe(2), one C(23), and one C(31) atom. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one Fe(2), one C(24), and one C(32) atom. In the eleventh N site, N(5) is bonded in a linear geometry to one Fe(2) and one C(17) atom. In the twelfth N site, N(6) is bonded in a linear geometry to one Fe(2) 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(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(3) atom. In the fourth H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the sixth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the seventh H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the eighth H site, H(6) is bonded in a single-bond geometry to one C(8) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(23) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(24) atom. In the eleventh H site, H(15) is bonded in a single-bond geometry to one C(31) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(32) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(29) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one C(30) atom. In the fifteenth H site, H(12) is bonded in a single-bond geometry to one C(26) atom. In the sixteenth H site, H(11) is bonded in a single-bond geometry to one C(25) atom. Linkers: 2 C(C#Cc1ccncc1)#Cc1ccncc1. Metal clusters: 2 [Fe] ,2 [Pd]. The MOF has largest included sphere 2.75 A, density 1.51 g/cm3, surface area 5199.49 m2/g, accessible volume 0.16 cm3/g