FePt(C3N)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent N(6) atoms. Both Fe(1)-N(1) bond lengths are 2.20 Å. Both Fe(1)-N(2) bond lengths are 2.17 Å. Both Fe(1)-N(6) bond lengths are 2.14 Å. In the second Fe site, Fe(2) is bonded in an octahedral geometry to two equivalent N(3), two equivalent N(4), and two equivalent N(5) atoms. Both Fe(2)-N(3) bond lengths are 2.23 Å. Both Fe(2)-N(4) bond lengths are 2.16 Å. Both Fe(2)-N(5) bond lengths are 2.14 Å. Pt(1) is bonded in a rectangular see-saw-like geometry to one C(16), one C(17), one C(18), and one C(9) atom. The Pt(1)-C(16) bond length is 1.99 Å. The Pt(1)-C(17) bond length is 1.99 Å. The Pt(1)-C(18) bond length is 1.99 Å. The Pt(1)-C(9) bond length is 1.99 Å. There are eighteen inequivalent C sites. In the first C site, C(1) is bonded in a single-bond geometry to one C(2) and one N(1) atom. The C(1)-C(2) bond length is 1.37 Å. The C(1)-N(1) bond length is 1.44 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one C(1) and one C(3) atom. The C(2)-C(3) bond length is 1.39 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one C(2), one C(4), and one C(6) atom. The C(3)-C(4) bond length is 1.38 Å. The C(3)-C(6) bond length is 1.39 Å. In the fourth C site, C(4) is bonded in a bent 120 degrees geometry to one C(3) and one C(5) atom. The C(4)-C(5) bond length is 1.39 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(4) and one N(1) atom. The C(5)-N(1) bond length is 1.33 Å. In the sixth C site, C(6) is bonded in a linear geometry to one C(3) and one C(7) atom. The C(6)-C(7) bond length is 1.25 Å. In the seventh C site, C(7) is bonded in a linear geometry to one C(6) and one C(8) atom. The C(7)-C(8) bond length is 1.33 Å. In the eighth C site, C(8) is bonded in a linear geometry to one C(15) and one C(7) atom. The C(8)-C(15) bond length is 1.21 Å. In the ninth C site, C(9) is bonded in a linear geometry to one Pt(1) and one N(2) atom. The C(9)-N(2) bond length is 1.14 Å. In the tenth C site, C(10) is bonded in a single-bond geometry to one C(11) and one N(3) atom. The C(10)-C(11) bond length is 1.40 Å. The C(10)-N(3) bond length is 1.33 Å. In the eleventh C site, C(11) is bonded in a bent 120 degrees geometry to one C(10) and one C(12) atom. The C(11)-C(12) bond length is 1.30 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(15) atom. The C(12)-C(13) bond length is 1.29 Å. The C(12)-C(15) bond length is 1.50 Å. In the thirteenth C site, C(13) is bonded in a bent 120 degrees geometry to one C(12) and one C(14) atom. The C(13)-C(14) bond length is 1.48 Å. In the fourteenth C site, C(14) is bonded in a single-bond geometry to one C(13) and one N(3) atom. The C(14)-N(3) bond length is 1.35 Å. In the fifteenth C site, C(15) is bonded in a linear geometry to one C(12) and one C(8) atom. In the sixteenth C site, C(16) is bonded in a linear geometry to one Pt(1) and one N(4) atom. The C(16)-N(4) bond length is 1.13 Å. In the seventeenth C site, C(17) is bonded in a linear geometry to one Pt(1) and one N(5) atom. The C(17)-N(5) bond length is 1.14 Å. In the eighteenth C site, C(18) is bonded in a linear geometry to one Pt(1) and one N(6) atom. The C(18)-N(6) bond length is 1.14 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(1), and one C(5) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one C(9) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Fe(2), one C(10), and one C(14) atom. In the fourth N site, N(4) is bonded in a linear geometry to one Fe(2) and one C(16) atom. In the fifth N site, N(5) is bonded in a linear geometry to one Fe(2) and one C(17) atom. In the sixth N site, N(6) is bonded in a bent 150 degrees geometry to one Fe(1) and one C(18) atom. Linkers: 2 C(C#Cc1[c][c]n[c][c]1)#Cc1[c][c]n[c][c]1. Metal clusters: 2 [Fe] ,2 [Pt]. The MOF has largest included sphere 6.91 A, density 1.15 g/cm3, surface area 3476.12 m2/g, accessible volume 0.52 cm3/g