Materials Data on KRu2C4(ClO4)2 by Materials Project
KRu2C4(O4Cl)2 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to four O2- and four equivalent Cl1- atoms. There are two shorter (2.81 Å) and two longer (3.16 Å) K–O bond lengths. There are two shorter (3.21 Å) and two longer (3.48 Å) K–Cl bond lengths. Ru+4.50+ is bonded in a square pyramidal geometry to four O2- and one Cl1- atom. There are two shorter (2.15 Å) and two longer (2.16 Å) Ru–O bond lengths. The Ru–Cl bond length is 2.49 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a distorted bent 150 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.23 Å. In the second C2+ site, C2+ is bonded in a distorted bent 150 degrees geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.24 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ru+4.50+ and one C2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Ru+4.50+, and one C2+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Ru+4.50+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ru+4.50+, and one C2+ atom. Cl1- is bonded in a 2-coordinate geometry to two equivalent K1+ and one Ru+4.50+ atom.