Materials Data on Zn(H3C)2 by Materials Project

doi:10.17188/1684528

Title: Materials Data on Zn(H3C)2 by Materials Project

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Abstract

Zn(CH3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two dimethylzinc molecules. Zn2+ is bonded in a linear geometry to two equivalent C4- atoms. Both Zn–C bond lengths are 1.94 Å. C4- is bonded to one Zn2+ and three H1+ atoms to form corner-sharing CZnH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom.

Publication Date:: 2020-05-02

Other Number(s):: mp-1189432

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; C-H-Zn; Zn(H3C)2; crystal structure

OSTI Identifier:: 1684528

DOI:: https://doi.org/10.17188/1684528

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                    Materials Data on Zn(H3C)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1684528.

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                    Materials Data on Zn(H3C)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1684528

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                    2020.  
"Materials Data on Zn(H3C)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1684528.  https://www.osti.gov/servlets/purl/1684528. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1684528,

  title        = {Materials Data on Zn(H3C)2 by Materials Project},

  
  abstractNote = {Zn(CH3)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two dimethylzinc molecules. Zn2+ is bonded in a linear geometry to two equivalent C4- atoms. Both Zn–C bond lengths are 1.94 Å. C4- is bonded to one Zn2+ and three H1+ atoms to form corner-sharing CZnH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom.},

  doi          = {10.17188/1684528},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1684528

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