Materials Data on CuC2(NCl2)2 by Materials Project

doi:10.17188/1722137

Title: Materials Data on CuC2(NCl2)2 by Materials Project

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Abstract

CuCl4(CN)2 is Cubane-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrogen cyanide molecules and two CuCl4 clusters. In each CuCl4 cluster, Cu2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.12 Å) and two longer (2.14 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1105650

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; CuC2(NCl2)2; C-Cl-Cu-N

OSTI Identifier:: 1722137

DOI:: https://doi.org/10.17188/1722137

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                    The Materials Project. Materials Data on CuC2(NCl2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722137.

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                    The Materials Project. Materials Data on CuC2(NCl2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722137

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                    The Materials Project. 2020.  
"Materials Data on CuC2(NCl2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722137.  https://www.osti.gov/servlets/purl/1722137. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1722137,

  title        = {Materials Data on CuC2(NCl2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuCl4(CN)2 is Cubane-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrogen cyanide molecules and two CuCl4 clusters. In each CuCl4 cluster, Cu2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.12 Å) and two longer (2.14 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.},

  doi          = {10.17188/1722137},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1722137

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