Materials Data on HOs7C20O19 by Materials Project
Os(CO)3Os6C17HO16 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four Os(CO)3 clusters and four Os6C17HO16 clusters. In each Os(CO)3 cluster, Os+1.57- is bonded in a 3-coordinate geometry to three C+2.40+ atoms. There is one shorter (1.88 Å) and two longer (1.92 Å) Os–C bond length. There are three inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.57- 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+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In each Os6C17HO16 cluster, there are six inequivalent Os+1.57- sites. In the first Os+1.57- site, Os+1.57- is bonded in a distorted rectangular see-saw-like geometry to three C+2.40+ and one H1+ atom. There are a spread of Os–C bond distances ranging from 1.86–2.09 Å. The Os–H bond length is 1.75 Å. In the second Os+1.57- site, Os+1.57- is bonded in a distorted trigonal pyramidal geometry to four C+2.40+ atoms. There are a spread of Os–C bond distances ranging from 1.88–2.12 Å. In the third Os+1.57- site, Os+1.57- is bonded in a rectangular see-saw-like geometry to four C+2.40+ atoms. There are a spread of Os–C bond distances ranging from 1.91–2.01 Å. In the fourth Os+1.57- site, Os+1.57- is bonded in a rectangular see-saw-like geometry to four C+2.40+ atoms. There are a spread of Os–C bond distances ranging from 1.91–2.19 Å. In the fifth Os+1.57- site, Os+1.57- is bonded in a 4-coordinate geometry to three C+2.40+ and one H1+ atom. There is one shorter (1.89 Å) and two longer (1.90 Å) Os–C bond length. The Os–H bond length is 1.90 Å. In the sixth Os+1.57- site, Os+1.57- is bonded in a distorted T-shaped geometry to three C+2.40+ atoms. There are a spread of Os–C bond distances ranging from 1.91–2.01 Å. There are seventeen inequivalent C+2.40+ sites. In the first C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.17 Å. In the second C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.17 Å. In the third C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.16 Å. In the tenth C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.16 Å. In the eleventh C+2.40+ site, C+2.40+ is bonded in a 1-coordinate geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.17 Å. In the twelfth C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.16 Å. In the thirteenth C+2.40+ site, C+2.40+ is bonded in a linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.16 Å. In the fourteenth C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.16 Å. In the fifteenth C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.16 Å. In the sixteenth C+2.40+ site, C+2.40+ is bonded in a distorted linear geometry to one Os+1.57- and one O2- atom. The C–O bond length is 1.17 Å. In the seventeenth C+2.40+ site, C+2.40+ is bonded in a trigonal bipyramidal geometry to five Os+1.57- atoms. H1+ is bonded in a water-like geometry to two Os+1.57- atoms. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.40+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1287198
- Report Number(s):
- mp-720532
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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