Materials Data on ZnSi4H35C13ClO by Materials Project

doi:10.17188/1698662

Title: Materials Data on ZnSi4H35C13ClO by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

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.

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                    The Materials Project. Materials Data on ZnSi4H35C13ClO by Materials Project.  United States.  doi:https://doi.org/10.17188/1698662

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                    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

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@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         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1698662

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