Y2Fe17CN crystallizes in the triclinic P-1 space group. Y(1) is bonded in a distorted bent 120 degrees geometry to one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(10), three equivalent Fe(3), one C(1), and one N(1) atom. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(4), one Fe(6), one Fe(7), and one C(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(4), one Fe(5), one Fe(7), and one N(1) atom. In the third Fe site, Fe(3) is bonded to three equivalent Y(1), one Fe(1), one Fe(2), one Fe(4), one Fe(5), one Fe(6), one Fe(8), one Fe(9), and two equivalent Fe(10) atoms to form FeY3Fe9 cuboctahedra that share  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with three equivalent Fe(7)Y2Fe10 cuboctahedra, corners with four equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, corners with two equivalent N(1)Y2Fe4 octahedra,  an edgeedge with one Fe(5)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Y3Fe9 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra,  a faceface with one Fe(6)Y2Fe10 cuboctahedra,  a faceface with one Fe(7)Y2Fe10 cuboctahedra,  a faceface with one Fe(3)Y3Fe9 cuboctahedra, faces with four equivalent Fe(10)Y2Fe10 cuboctahedra,  a faceface with one C(1)Y2Fe4 octahedra, and  a faceface with one N(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 63-70°. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Y(1), one Fe(1), one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(10), two equivalent Fe(8), and two equivalent Fe(9) atoms. In the fifth Fe site, Fe(5) is bonded to two equivalent Y(1), two equivalent Fe(10), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(9) atoms to form FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(7)Y2Fe10 cuboctahedra, corners with two equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, edges with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, faces with two equivalent Fe(3)Y3Fe9 cuboctahedra, and faces with two equivalent N(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the sixth Fe site, Fe(6) is bonded to two equivalent Y(1), two equivalent Fe(1), two equivalent Fe(10), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(8) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with two equivalent Fe(7)Y2Fe10 cuboctahedra, corners with two equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent N(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, edges with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, faces with two equivalent Fe(3)Y3Fe9 cuboctahedra, and faces with two equivalent C(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. In the seventh Fe site, Fe(7) is bonded to two equivalent Y(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(8), and two equivalent Fe(9) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with four equivalent Fe(10)Y2Fe10 cuboctahedra, corners with six equivalent Fe(3)Y3Fe9 cuboctahedra, edges with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with four equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent C(1)Y2Fe4 octahedra, and faces with two equivalent N(1)Y2Fe4 octahedra. In the eighth Fe site, Fe(8) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(6), one Fe(7), two equivalent Fe(4), and one C(1) atom. In the ninth Fe site, Fe(9) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(5), one Fe(7), two equivalent Fe(4), and one N(1) atom. In the tenth Fe site, Fe(10) is bonded to two equivalent Y(1), one Fe(1), one Fe(2), one Fe(5), one Fe(6), one Fe(8), one Fe(9), two equivalent Fe(3), and two equivalent Fe(4) atoms to form distorted FeY2Fe10 cuboctahedra that share  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with two equivalent Fe(7)Y2Fe10 cuboctahedra, corners with two equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, corners with two equivalent N(1)Y2Fe4 octahedra,  an edgeedge with one Fe(10)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(5)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  an edgeedge with one C(1)Y2Fe4 octahedra,  an edgeedge with one N(1)Y2Fe4 octahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra,  a faceface with one Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, and faces with four equivalent Fe(3)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 23-29°. C(1) is bonded to two equivalent Y(1), two equivalent Fe(1), and two equivalent Fe(8) atoms to form CY2Fe4 octahedra that share corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with four equivalent Fe(10)Y2Fe10 cuboctahedra, corners with four equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent N(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, and faces with two equivalent Fe(3)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. N(1) is bonded to two equivalent Y(1), two equivalent Fe(2), and two equivalent Fe(9) atoms to form NY2Fe4 octahedra that share corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with four equivalent Fe(10)Y2Fe10 cuboctahedra, corners with four equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, and faces with two equivalent Fe(3)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 62°.
Y2Fe17CN crystallizes in the triclinic P-1 space group. Y(1) is bonded in a distorted bent 120 degrees geometry to one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(10), three equivalent Fe(3), one C(1), and one N(1) atom. The Y(1)-Fe(4) bond length is 3.07 Å. The Y(1)-Fe(5) bond length is 3.27 Å. The Y(1)-Fe(6) bond length is 3.32 Å. The Y(1)-Fe(7) bond length is 3.33 Å. There is one shorter (3.06 Å) and one longer (3.07 Å) Y(1)-Fe(10) bond length. There are a spread of Y(1)-Fe(3) bond distances ranging from 3.10-3.34 Å. The Y(1)-C(1) bond length is 2.52 Å. The Y(1)-N(1) bond length is 2.45 Å. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(4), one Fe(6), one Fe(7), and one C(1) atom. The Fe(1)-Fe(10) bond length is 2.58 Å. The Fe(1)-Fe(3) bond length is 2.52 Å. The Fe(1)-Fe(4) bond length is 2.64 Å. The Fe(1)-Fe(6) bond length is 2.46 Å. The Fe(1)-Fe(7) bond length is 2.47 Å. The Fe(1)-C(1) bond length is 1.91 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(4), one Fe(5), one Fe(7), and one N(1) atom. The Fe(2)-Fe(10) bond length is 2.56 Å. The Fe(2)-Fe(3) bond length is 2.54 Å. The Fe(2)-Fe(4) bond length is 2.65 Å. The Fe(2)-Fe(5) bond length is 2.47 Å. The Fe(2)-Fe(7) bond length is 2.47 Å. The Fe(2)-N(1) bond length is 1.92 Å. In the third Fe site, Fe(3) is bonded to three equivalent Y(1), one Fe(1), one Fe(2), one Fe(4), one Fe(5), one Fe(6), one Fe(8), one Fe(9), and two equivalent Fe(10) atoms to form FeY3Fe9 cuboctahedra that share  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with three equivalent Fe(7)Y2Fe10 cuboctahedra, corners with four equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, corners with two equivalent N(1)Y2Fe4 octahedra,  an edgeedge with one Fe(5)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(3)Y3Fe9 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra,  a faceface with one Fe(6)Y2Fe10 cuboctahedra,  a faceface with one Fe(7)Y2Fe10 cuboctahedra,  a faceface with one Fe(3)Y3Fe9 cuboctahedra, faces with four equivalent Fe(10)Y2Fe10 cuboctahedra,  a faceface with one C(1)Y2Fe4 octahedra, and  a faceface with one N(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles range from 63-70°. The Fe(3)-Fe(4) bond length is 2.67 Å. The Fe(3)-Fe(5) bond length is 2.46 Å. The Fe(3)-Fe(6) bond length is 2.45 Å. The Fe(3)-Fe(8) bond length is 2.58 Å. The Fe(3)-Fe(9) bond length is 2.56 Å. There is one shorter (2.60 Å) and one longer (2.62 Å) Fe(3)-Fe(10) bond length. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to one Y(1), one Fe(1), one Fe(2), one Fe(3), one Fe(4), one Fe(5), one Fe(6), one Fe(7), two equivalent Fe(10), two equivalent Fe(8), and two equivalent Fe(9) atoms. The Fe(4)-Fe(4) bond length is 2.38 Å. The Fe(4)-Fe(5) bond length is 2.63 Å. The Fe(4)-Fe(6) bond length is 2.62 Å. The Fe(4)-Fe(7) bond length is 2.65 Å. Both Fe(4)-Fe(10) bond lengths are 2.75 Å. There is one shorter (2.73 Å) and one longer (2.74 Å) Fe(4)-Fe(8) bond length. Both Fe(4)-Fe(9) bond lengths are 2.72 Å. In the fifth Fe site, Fe(5) is bonded to two equivalent Y(1), two equivalent Fe(10), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(9) atoms to form FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(7)Y2Fe10 cuboctahedra, corners with two equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, edges with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, faces with two equivalent Fe(3)Y3Fe9 cuboctahedra, and faces with two equivalent N(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. Both Fe(5)-Fe(10) bond lengths are 2.45 Å. Both Fe(5)-Fe(9) bond lengths are 2.44 Å. In the sixth Fe site, Fe(6) is bonded to two equivalent Y(1), two equivalent Fe(1), two equivalent Fe(10), two equivalent Fe(3), two equivalent Fe(4), and two equivalent Fe(8) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with two equivalent Fe(7)Y2Fe10 cuboctahedra, corners with two equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent N(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, edges with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, faces with two equivalent Fe(3)Y3Fe9 cuboctahedra, and faces with two equivalent C(1)Y2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. Both Fe(6)-Fe(10) bond lengths are 2.44 Å. Both Fe(6)-Fe(8) bond lengths are 2.43 Å. In the seventh Fe site, Fe(7) is bonded to two equivalent Y(1), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(8), and two equivalent Fe(9) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with four equivalent Fe(10)Y2Fe10 cuboctahedra, corners with six equivalent Fe(3)Y3Fe9 cuboctahedra, edges with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(3)Y3Fe9 cuboctahedra, faces with four equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent C(1)Y2Fe4 octahedra, and faces with two equivalent N(1)Y2Fe4 octahedra. Both Fe(7)-Fe(8) bond lengths are 2.44 Å. Both Fe(7)-Fe(9) bond lengths are 2.43 Å. In the eighth Fe site, Fe(8) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(6), one Fe(7), two equivalent Fe(4), and one C(1) atom. The Fe(8)-Fe(10) bond length is 2.46 Å. The Fe(8)-C(1) bond length is 1.84 Å. In the ninth Fe site, Fe(9) is bonded in a single-bond geometry to one Fe(10), one Fe(3), one Fe(5), one Fe(7), two equivalent Fe(4), and one N(1) atom. The Fe(9)-Fe(10) bond length is 2.49 Å. The Fe(9)-N(1) bond length is 1.88 Å. In the tenth Fe site, Fe(10) is bonded to two equivalent Y(1), one Fe(1), one Fe(2), one Fe(5), one Fe(6), one Fe(8), one Fe(9), two equivalent Fe(3), and two equivalent Fe(4) atoms to form distorted FeY2Fe10 cuboctahedra that share  a cornercorner with one Fe(5)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(6)Y2Fe10 cuboctahedra, corners with two equivalent Fe(10)Y2Fe10 cuboctahedra, corners with two equivalent Fe(7)Y2Fe10 cuboctahedra, corners with two equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, corners with two equivalent N(1)Y2Fe4 octahedra,  an edgeedge with one Fe(10)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(5)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(6)Y2Fe10 cuboctahedra,  an edgeedge with one C(1)Y2Fe4 octahedra,  an edgeedge with one N(1)Y2Fe4 octahedra,  a faceface with one Fe(10)Y2Fe10 cuboctahedra,  a faceface with one Fe(5)Y2Fe10 cuboctahedra,  a faceface with one Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, and faces with four equivalent Fe(3)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles range from 23-29°. C(1) is bonded to two equivalent Y(1), two equivalent Fe(1), and two equivalent Fe(8) atoms to form CY2Fe4 octahedra that share corners with two equivalent Fe(5)Y2Fe10 cuboctahedra, corners with four equivalent Fe(10)Y2Fe10 cuboctahedra, corners with four equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent N(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(6)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, and faces with two equivalent Fe(3)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. N(1) is bonded to two equivalent Y(1), two equivalent Fe(2), and two equivalent Fe(9) atoms to form NY2Fe4 octahedra that share corners with two equivalent Fe(6)Y2Fe10 cuboctahedra, corners with four equivalent Fe(10)Y2Fe10 cuboctahedra, corners with four equivalent Fe(3)Y3Fe9 cuboctahedra, corners with two equivalent C(1)Y2Fe4 octahedra, edges with two equivalent Fe(10)Y2Fe10 cuboctahedra, faces with two equivalent Fe(5)Y2Fe10 cuboctahedra, faces with two equivalent Fe(7)Y2Fe10 cuboctahedra, and faces with two equivalent Fe(3)Y3Fe9 cuboctahedra. The corner-sharing octahedral tilt angles are 62°.