Materials Data on PdC8(NCl3)2 by Materials Project

doi:10.17188/1666580

Title: Materials Data on PdC8(NCl3)2 by Materials Project

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Abstract

Pd2C12(NCl4)3C4N crystallizes in the cubic Fd-3c space group. The structure is three-dimensional and consists of sixteen tetramethylammonium molecules and one Pd2C12(NCl4)3 framework. In the Pd2C12(NCl4)3 framework, Pd2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Pd–Cl bond lengths are 2.68 Å. C+1.25+ is bonded in a distorted bent 150 degrees geometry to one N3- and one Cl1- atom. The C–N bond length is 1.48 Å. The C–Cl bond length is 1.67 Å. N3- is bonded in a 4-coordinate geometry to four equivalent C+1.25+ atoms. Cl1- is bonded in a 2-coordinate geometry to one Pd2+ and one C+1.25+ atom.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1180959

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; PdC8(NCl3)2; C-Cl-N-Pd

OSTI Identifier:: 1666580

DOI:: https://doi.org/10.17188/1666580

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                    The Materials Project. Materials Data on PdC8(NCl3)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1666580.

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                    The Materials Project. Materials Data on PdC8(NCl3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1666580

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                    The Materials Project. 2019.  
"Materials Data on PdC8(NCl3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1666580.  https://www.osti.gov/servlets/purl/1666580. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1666580,

  title        = {Materials Data on PdC8(NCl3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pd2C12(NCl4)3C4N crystallizes in the cubic Fd-3c space group. The structure is three-dimensional and consists of sixteen tetramethylammonium molecules and one Pd2C12(NCl4)3 framework. In the Pd2C12(NCl4)3 framework, Pd2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Pd–Cl bond lengths are 2.68 Å. C+1.25+ is bonded in a distorted bent 150 degrees geometry to one N3- and one Cl1- atom. The C–N bond length is 1.48 Å. The C–Cl bond length is 1.67 Å. N3- is bonded in a 4-coordinate geometry to four equivalent C+1.25+ atoms. Cl1- is bonded in a 2-coordinate geometry to one Pd2+ and one C+1.25+ atom.},

  doi          = {10.17188/1666580},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1666580

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