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Title: Materials Data on ZnSi4H35C13ClO by Materials Project

Abstract

Si(Si(CH3)3)3(CH2)2ZnC2H4OCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight methane molecules, four silicon molecules, twelve trimethylsilyl radical molecules, and two ZnC2H4OCl clusters. In each ZnC2H4OCl cluster, Zn2+ is bonded in a distorted T-shaped geometry to one O2- and two equivalent Cl1- atoms. The Zn–O bond length is 2.34 Å. There are one shorter (2.41 Å) and one longer (2.43 Å) Zn–Cl bond lengths. There are two inequivalent C+3.85- sites. In the first C+3.85- site, C+3.85- is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one O2- atom. Both C–H bond lengths are 1.10 Å. The C–O bond length is 1.45 Å. In the second C+3.85- site, C+3.85- is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one O2- atom. Both C–H bond lengths are 1.10 Å. The C–O bond length is 1.46 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom.more » In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two C+3.85- atoms. Cl1- is bonded in an L-shaped geometry to two equivalent Zn2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1196440
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; ZnSi4H35C13ClO; C-Cl-H-O-Si-Zn
OSTI Identifier:
1698662
DOI:
https://doi.org/10.17188/1698662

Citation Formats

The Materials Project. Materials Data on ZnSi4H35C13ClO by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1698662.
The Materials Project. Materials Data on ZnSi4H35C13ClO by Materials Project. United States. doi:https://doi.org/10.17188/1698662
The Materials Project. 2019. "Materials Data on ZnSi4H35C13ClO by Materials Project". United States. doi:https://doi.org/10.17188/1698662. https://www.osti.gov/servlets/purl/1698662. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1698662,
title = {Materials Data on ZnSi4H35C13ClO by Materials Project},
author = {The Materials Project},
abstractNote = {Si(Si(CH3)3)3(CH2)2ZnC2H4OCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight methane molecules, four silicon molecules, twelve trimethylsilyl radical molecules, and two ZnC2H4OCl clusters. In each ZnC2H4OCl cluster, Zn2+ is bonded in a distorted T-shaped geometry to one O2- and two equivalent Cl1- atoms. The Zn–O bond length is 2.34 Å. There are one shorter (2.41 Å) and one longer (2.43 Å) Zn–Cl bond lengths. There are two inequivalent C+3.85- sites. In the first C+3.85- site, C+3.85- is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one O2- atom. Both C–H bond lengths are 1.10 Å. The C–O bond length is 1.45 Å. In the second C+3.85- site, C+3.85- is bonded in a distorted trigonal non-coplanar geometry to two H1+ and one O2- atom. Both C–H bond lengths are 1.10 Å. The C–O bond length is 1.46 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.85- atom. O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two C+3.85- atoms. Cl1- is bonded in an L-shaped geometry to two equivalent Zn2+ atoms.},
doi = {10.17188/1698662},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}