DOI: 10.17188/1286425
title: Materials Data on H6Os5Pt(CO)16 by Materials Project

description: Os5PtH6(CO)16 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Os5PtH6(CO)16 clusters. there are five inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 6-coordinate geometry to three C+2.38+ and two H1+ atoms. There are a spread of Os–C bond distances ranging from 1.90–1.92 Å. There is one shorter (1.83 Å) and one longer (1.85 Å) Os–H bond length. In the second Os2- site, Os2- is bonded in a 6-coordinate geometry to one Pt2-, three C+2.38+, and two H1+ atoms. The Os–Pt bond length is 2.74 Å. There is one shorter (1.91 Å) and two longer (1.92 Å) Os–C bond length. Both Os–H bond lengths are 1.81 Å. In the third Os2- site, Os2- is bonded in a 6-coordinate geometry to three C+2.38+ and two H1+ atoms. There are a spread of Os–C bond distances ranging from 1.90–1.92 Å. There is one shorter (1.83 Å) and one longer (1.87 Å) Os–H bond length. In the fourth Os2- site, Os2- is bonded in a distorted square pyramidal geometry to three C+2.38+ and two H1+ atoms. There are a spread of Os–C bond distances ranging from 1.90–1.92 Å. There is one shorter (1.79 Å) and one longer (1.80 Å) Os–H bond length. In the fifth Os2- site, Os2- is bonded in a 5-coordinate geometry to four C+2.38+ and one H1+ atom. There are a spread of Os–C bond distances ranging from 1.92–1.96 Å. The Os–H bond length is 1.81 Å. Pt2- is bonded in a 3-coordinate geometry to one Os2- and three H1+ atoms. There are a spread of Pt–H bond distances ranging from 1.82–1.90 Å. There are sixteen inequivalent C+2.38+ sites. In the first C+2.38+ site, C+2.38+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.38+ site, C+2.38+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.38+ site, C+2.38+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.38+ site, C+2.38+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+2.38+ site, C+2.38+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+2.38+ site, C+2.38+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+2.38+ site, C+2.38+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+2.38+ site, C+2.38+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+2.38+ site, C+2.38+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the tenth C+2.38+ site, C+2.38+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. In the eleventh C+2.38+ site, C+2.38+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the twelfth C+2.38+ site, C+2.38+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. In the thirteenth C+2.38+ site, C+2.38+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fourteenth C+2.38+ site, C+2.38+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fifteenth C+2.38+ site, C+2.38+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the sixteenth C+2.38+ site, C+2.38+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to two Os2- atoms. In the second H1+ site, H1+ is bonded in a water-like geometry to two Os2- atoms. In the third H1+ site, H1+ is bonded in a water-like geometry to two Os2- atoms. In the fourth H1+ site, H1+ is bonded in an L-shaped geometry to one Os2- and one Pt2- atom. In the fifth H1+ site, H1+ is bonded in an L-shaped geometry to one Os2- and one Pt2- atom. In the sixth H1+ site, H1+ is bonded in a water-like geometry to one Os2- and one Pt2- atom. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.38+ atom.