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Title: Materials Data on SnH21C7S4N(O3F)2 by Materials Project

Abstract

(CH3)3SnC4H12(SO)2(FSO2)2N crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ac1nqyjp molecules, six medicinal charcoal molecules, and two SnC4H12(SO)2 clusters. In each SnC4H12(SO)2 cluster, Sn2+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.31 Å) and one longer (2.35 Å) Sn–O bond lengths. There are four inequivalent C+0.29+ sites. In the first C+0.29+ site, C+0.29+ is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. All C–H bond lengths are 1.10 Å. The C–S bond length is 1.79 Å. In the second C+0.29+ site, C+0.29+ is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. All C–H bond lengths are 1.10 Å. The C–S bond length is 1.79 Å. In the third C+0.29+ site, C+0.29+ is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. All C–H bond lengths are 1.10 Å. The C–S bond length is 1.80 Å. In the fourth C+0.29+ site, C+0.29+ is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. All C–H bond lengths are 1.10 Å. The C–S bond length is 1.80 Å. There are twelvemore » inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to two C+0.29+ and one O2- atom. The S–O bond length is 1.54 Å. In the second S2- site, S2- is bonded in a distorted single-bond geometry to two C+0.29+ and one O2- atom. The S–O bond length is 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one S2- atom.« less

Publication Date:
Other Number(s):
mp-554187
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SnH21C7S4N(O3F)2; C-F-H-N-O-S-Sn
OSTI Identifier:
1267784
DOI:
10.17188/1267784

Citation Formats

The Materials Project. Materials Data on SnH21C7S4N(O3F)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267784.
The Materials Project. Materials Data on SnH21C7S4N(O3F)2 by Materials Project. United States. doi:10.17188/1267784.
The Materials Project. 2020. "Materials Data on SnH21C7S4N(O3F)2 by Materials Project". United States. doi:10.17188/1267784. https://www.osti.gov/servlets/purl/1267784. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1267784,
title = {Materials Data on SnH21C7S4N(O3F)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(CH3)3SnC4H12(SO)2(FSO2)2N crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ac1nqyjp molecules, six medicinal charcoal molecules, and two SnC4H12(SO)2 clusters. In each SnC4H12(SO)2 cluster, Sn2+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.31 Å) and one longer (2.35 Å) Sn–O bond lengths. There are four inequivalent C+0.29+ sites. In the first C+0.29+ site, C+0.29+ is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. All C–H bond lengths are 1.10 Å. The C–S bond length is 1.79 Å. In the second C+0.29+ site, C+0.29+ is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. All C–H bond lengths are 1.10 Å. The C–S bond length is 1.79 Å. In the third C+0.29+ site, C+0.29+ is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. All C–H bond lengths are 1.10 Å. The C–S bond length is 1.80 Å. In the fourth C+0.29+ site, C+0.29+ is bonded in a trigonal non-coplanar geometry to three H1+ and one S2- atom. All C–H bond lengths are 1.10 Å. The C–S bond length is 1.80 Å. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C+0.29+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to two C+0.29+ and one O2- atom. The S–O bond length is 1.54 Å. In the second S2- site, S2- is bonded in a distorted single-bond geometry to two C+0.29+ and one O2- atom. The S–O bond length is 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn2+ and one S2- atom.},
doi = {10.17188/1267784},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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