DOI: 10.17188/1281540
title: Materials Data on P2Os4C15O13F6 by Materials Project

description: (Os(CO)3)3Os(CO)4(P)2(CF3)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of sixteen fluoroform molecules, sixteen phosphane molecules, twenty-four Os(CO)3 clusters, and eight Os(CO)4 clusters. In eight of the Os(CO)3 clusters, Os+1.50- is bonded in a 3-coordinate geometry to three C+1.87+ atoms. There are a spread of Os–C bond distances ranging from 1.89–1.94 Å. There are three inequivalent C+1.87+ sites. In the first C+1.87+ site, C+1.87+ is bonded in a distorted linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.87+ site, C+1.87+ is bonded in a distorted linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.87+ site, C+1.87+ is bonded in a distorted linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.87+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.87+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.87+ atom. In sixteen of the Os(CO)3 clusters, Os+1.50- is bonded in a 3-coordinate geometry to three C+1.87+ atoms. There is two shorter (1.92 Å) and one longer (1.93 Å) Os–C bond length. There are three inequivalent C+1.87+ sites. In the first C+1.87+ site, C+1.87+ is bonded in a distorted linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.87+ site, C+1.87+ is bonded in a distorted linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.87+ site, C+1.87+ is bonded in a linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.87+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.87+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.87+ atom. In each Os(CO)4 cluster, Os+1.50- is bonded in a distorted rectangular see-saw-like geometry to four C+1.87+ atoms. There are a spread of Os–C bond distances ranging from 1.93–1.97 Å. There are four inequivalent C+1.87+ sites. In the first C+1.87+ site, C+1.87+ is bonded in a distorted linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.15 Å. In the second C+1.87+ site, C+1.87+ is bonded in a linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.87+ site, C+1.87+ is bonded in a distorted linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.87+ site, C+1.87+ is bonded in a linear geometry to one Os+1.50- and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.87+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.87+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.87+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.87+ atom.