Materials Data on HgP5H27C11(OF)6 by Materials Project
(P(CH3)3)3HgC2P2(OF)6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of six trimethylphosphine molecules and two HgC2P2(OF)6 clusters. In each HgC2P2(OF)6 cluster, Hg2+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (2.76 Å) and one longer (2.97 Å) Hg–O bond lengths. There are two inequivalent C+3.27- sites. In the first C+3.27- site, C+3.27- is bonded in a distorted tetrahedral geometry to one P5+ and three F1- atoms. The C–P bond length is 1.90 Å. There is two shorter (1.37 Å) and one longer (1.38 Å) C–F bond length. In the second C+3.27- site, C+3.27- is bonded in a distorted tetrahedral geometry to one P5+ and three F1- atoms. The C–P bond length is 1.90 Å. There is one shorter (1.37 Å) and two longer (1.38 Å) C–F bond length. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one C+3.27- and three O2- atoms. There is two shorter (1.52 Å) and one longer (1.53 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a distorted tetrahedral geometry to one C+3.27- and three O2- atoms. There is two shorter (1.52 Å) and one longer (1.53 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Hg2+ and one P5+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C+3.27- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C+3.27- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one C+3.27- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one C+3.27- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one C+3.27- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one C+3.27- atom.