Materials Data on HgH16C6(N2Cl)2 by Materials Project

doi:10.17188/1287856

Title: Materials Data on HgH16C6(N2Cl)2 by Materials Project

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Abstract

HgC2(NCl)2(CH3)2(CH3NH2)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight methane molecules, eight methylammonium molecules, and four HgC2(NCl)2 clusters. In each HgC2(NCl)2 cluster, Hg2+ is bonded in a 4-coordinate geometry to two equivalent C+0.67- and two equivalent Cl1- atoms. Both Hg–C bond lengths are 2.06 Å. Both Hg–Cl bond lengths are 2.95 Å. C+0.67- is bonded in a distorted linear geometry to one Hg2+ and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a single-bond geometry to one C+0.67- atom. Cl1- is bonded in a 2-coordinate geometry to one Hg2+ atom.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-736272

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; HgH16C6(N2Cl)2; C-Cl-H-Hg-N

OSTI Identifier:: 1287856

DOI:: https://doi.org/10.17188/1287856

Citation Formats


                    The Materials Project. Materials Data on HgH16C6(N2Cl)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287856.

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                    The Materials Project. Materials Data on HgH16C6(N2Cl)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287856

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                    The Materials Project. 2020.  
"Materials Data on HgH16C6(N2Cl)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287856.  https://www.osti.gov/servlets/purl/1287856. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1287856,

  title        = {Materials Data on HgH16C6(N2Cl)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgC2(NCl)2(CH3)2(CH3NH2)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight methane molecules, eight methylammonium molecules, and four HgC2(NCl)2 clusters. In each HgC2(NCl)2 cluster, Hg2+ is bonded in a 4-coordinate geometry to two equivalent C+0.67- and two equivalent Cl1- atoms. Both Hg–C bond lengths are 2.06 Å. Both Hg–Cl bond lengths are 2.95 Å. C+0.67- is bonded in a distorted linear geometry to one Hg2+ and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a single-bond geometry to one C+0.67- atom. Cl1- is bonded in a 2-coordinate geometry to one Hg2+ atom.},

  doi          = {10.17188/1287856},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1287856

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