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Title: Materials Data on Os7C19SO19 by Materials Project

Abstract

(Os(CO)3)3Os4C10SO10 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of six Os(CO)3 clusters and two Os4C10SO10 clusters. In each Os(CO)3 cluster, Os+1.71- is bonded in a 3-coordinate geometry to three C+2.74+ atoms. All Os–C bond lengths are 1.92 Å. There are three inequivalent C+2.74+ sites. In the first C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.17 Å. In the third C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- 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+2.74+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In each Os4C10SO10 cluster, there are four inequivalent Os+1.71- sites. In the first Os+1.71- site,more » Os+1.71- is bonded in a distorted rectangular see-saw-like geometry to three C+2.74+ and one S2- atom. There is one shorter (1.89 Å) and two longer (1.90 Å) Os–C bond length. The Os–S bond length is 2.48 Å. In the second Os+1.71- site, Os+1.71- is bonded in a 3-coordinate geometry to two C+2.74+ and one S2- atom. There is one shorter (1.89 Å) and one longer (1.90 Å) Os–C bond length. The Os–S bond length is 2.47 Å. In the third Os+1.71- site, Os+1.71- is bonded in a 3-coordinate geometry to two C+2.74+ and one S2- atom. There is one shorter (1.88 Å) and one longer (1.90 Å) Os–C bond length. The Os–S bond length is 2.42 Å. In the fourth Os+1.71- site, Os+1.71- is bonded in a 4-coordinate geometry to three C+2.74+ and one S2- atom. All Os–C bond lengths are 1.90 Å. The Os–S bond length is 2.50 Å. There are ten inequivalent C+2.74+ sites. In the first C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.17 Å. In the second C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.17 Å. In the fourth C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.17 Å. In the fifth C+2.74+ site, C+2.74+ is bonded in a linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.17 Å. In the seventh C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.17 Å. In the eighth C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.17 Å. In the tenth C+2.74+ site, C+2.74+ is bonded in a linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.16 Å. S2- is bonded in a 4-coordinate geometry to four Os+1.71- atoms. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-648805
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Os7C19SO19; C-O-Os-S
OSTI Identifier:
1280835
DOI:
https://doi.org/10.17188/1280835

Citation Formats

The Materials Project. Materials Data on Os7C19SO19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280835.
The Materials Project. Materials Data on Os7C19SO19 by Materials Project. United States. doi:https://doi.org/10.17188/1280835
The Materials Project. 2020. "Materials Data on Os7C19SO19 by Materials Project". United States. doi:https://doi.org/10.17188/1280835. https://www.osti.gov/servlets/purl/1280835. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1280835,
title = {Materials Data on Os7C19SO19 by Materials Project},
author = {The Materials Project},
abstractNote = {(Os(CO)3)3Os4C10SO10 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of six Os(CO)3 clusters and two Os4C10SO10 clusters. In each Os(CO)3 cluster, Os+1.71- is bonded in a 3-coordinate geometry to three C+2.74+ atoms. All Os–C bond lengths are 1.92 Å. There are three inequivalent C+2.74+ sites. In the first C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.17 Å. In the third C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- 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+2.74+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In each Os4C10SO10 cluster, there are four inequivalent Os+1.71- sites. In the first Os+1.71- site, Os+1.71- is bonded in a distorted rectangular see-saw-like geometry to three C+2.74+ and one S2- atom. There is one shorter (1.89 Å) and two longer (1.90 Å) Os–C bond length. The Os–S bond length is 2.48 Å. In the second Os+1.71- site, Os+1.71- is bonded in a 3-coordinate geometry to two C+2.74+ and one S2- atom. There is one shorter (1.89 Å) and one longer (1.90 Å) Os–C bond length. The Os–S bond length is 2.47 Å. In the third Os+1.71- site, Os+1.71- is bonded in a 3-coordinate geometry to two C+2.74+ and one S2- atom. There is one shorter (1.88 Å) and one longer (1.90 Å) Os–C bond length. The Os–S bond length is 2.42 Å. In the fourth Os+1.71- site, Os+1.71- is bonded in a 4-coordinate geometry to three C+2.74+ and one S2- atom. All Os–C bond lengths are 1.90 Å. The Os–S bond length is 2.50 Å. There are ten inequivalent C+2.74+ sites. In the first C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.17 Å. In the second C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.17 Å. In the fourth C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.17 Å. In the fifth C+2.74+ site, C+2.74+ is bonded in a linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.17 Å. In the seventh C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.17 Å. In the eighth C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+2.74+ site, C+2.74+ is bonded in a distorted linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.17 Å. In the tenth C+2.74+ site, C+2.74+ is bonded in a linear geometry to one Os+1.71- and one O2- atom. The C–O bond length is 1.16 Å. S2- is bonded in a 4-coordinate geometry to four Os+1.71- atoms. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.74+ atom.},
doi = {10.17188/1280835},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}