KCN crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one C(1), one N(1), one N(3), one N(4), and two equivalent N(2) atoms. In the second K site, K(2) is bonded in a 1-coordinate geometry to one N(2) atom. In the third K site, K(3) is bonded in a 9-coordinate geometry to one C(3), two equivalent C(4), one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one C(1), two equivalent C(4), one N(1), one N(3), and one N(4) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one K(1), one K(4), and one N(1) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one N(2) atom. In the third C site, C(3) is bonded in a distorted single-bond geometry to one K(3) and one N(3) atom. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to two equivalent K(3), two equivalent K(4), and one N(4) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one K(1), one K(3), one K(4), and one C(1) atom. In the second N site, N(2) is bonded in a 1-coordinate geometry to one K(2), one K(3), two equivalent K(1), and one C(2) atom. In the third N site, N(3) is bonded in a 1-coordinate geometry to one K(1), one K(4), two equivalent K(3), and one C(3) atom. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one K(1), one K(4), two equivalent K(3), and one C(4) atom.
KCN crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one C(1), one N(1), one N(3), one N(4), and two equivalent N(2) atoms. The K(1)-C(1) bond length is 2.98 Å. The K(1)-N(1) bond length is 2.85 Å. The K(1)-N(3) bond length is 3.02 Å. The K(1)-N(4) bond length is 2.96 Å. There is one shorter (2.88 Å) and one longer (3.01 Å) K(1)-N(2) bond length. In the second K site, K(2) is bonded in a 1-coordinate geometry to one N(2) atom. The K(2)-N(2) bond length is 2.81 Å. In the third K site, K(3) is bonded in a 9-coordinate geometry to one C(3), two equivalent C(4), one N(1), one N(2), two equivalent N(3), and two equivalent N(4) atoms. The K(3)-C(3) bond length is 2.98 Å. There is one shorter (2.97 Å) and one longer (3.10 Å) K(3)-C(4) bond length. The K(3)-N(1) bond length is 3.01 Å. The K(3)-N(2) bond length is 2.82 Å. There is one shorter (2.99 Å) and one longer (3.21 Å) K(3)-N(3) bond length. There is one shorter (2.88 Å) and one longer (3.30 Å) K(3)-N(4) bond length. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one C(1), two equivalent C(4), one N(1), one N(3), and one N(4) atom. The K(4)-C(1) bond length is 3.23 Å. There is one shorter (2.90 Å) and one longer (3.15 Å) K(4)-C(4) bond length. The K(4)-N(1) bond length is 2.96 Å. The K(4)-N(3) bond length is 2.81 Å. The K(4)-N(4) bond length is 2.98 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one K(1), one K(4), and one N(1) atom. The C(1)-N(1) bond length is 1.36 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one N(2) atom. The C(2)-N(2) bond length is 1.41 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one K(3) and one N(3) atom. The C(3)-N(3) bond length is 1.42 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to two equivalent K(3), two equivalent K(4), and one N(4) atom. The C(4)-N(4) bond length is 1.37 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted single-bond geometry to one K(1), one K(3), one K(4), and one C(1) atom. In the second N site, N(2) is bonded in a 1-coordinate geometry to one K(2), one K(3), two equivalent K(1), and one C(2) atom. In the third N site, N(3) is bonded in a 1-coordinate geometry to one K(1), one K(4), two equivalent K(3), and one C(3) atom. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one K(1), one K(4), two equivalent K(3), and one C(4) atom.