Materials Data on PdC4(Br2N)2 by Materials Project

doi:10.17188/1656014

Title: Materials Data on PdC4(Br2N)2 by Materials Project

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Abstract

PdC4(NBr2)2 crystallizes in the orthorhombic Cmce space group. The structure is one-dimensional and consists of four PdC4(NBr2)2 ribbons oriented in the (1, 0, 0) direction. Pd2+ is bonded in a square co-planar geometry to four Br1- atoms. There are two shorter (2.43 Å) and two longer (2.46 Å) Pd–Br bond lengths. C2+ is bonded in a distorted single-bond geometry to one N3- and one Br1- atom. The C–N bond length is 1.26 Å. The C–Br bond length is 2.43 Å. N3- is bonded in a linear geometry to two equivalent C2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pd2+ atom. In the second Br1- site, Br1- is bonded in a trigonal non-coplanar geometry to one Pd2+ and two equivalent C2+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1192471

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; PdC4(Br2N)2; Br-C-N-Pd

OSTI Identifier:: 1656014

DOI:: https://doi.org/10.17188/1656014

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                    The Materials Project. Materials Data on PdC4(Br2N)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1656014.

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                    The Materials Project. Materials Data on PdC4(Br2N)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1656014

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                    The Materials Project. 2019.  
"Materials Data on PdC4(Br2N)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1656014.  https://www.osti.gov/servlets/purl/1656014. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1656014,

  title        = {Materials Data on PdC4(Br2N)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PdC4(NBr2)2 crystallizes in the orthorhombic Cmce space group. The structure is one-dimensional and consists of four PdC4(NBr2)2 ribbons oriented in the (1, 0, 0) direction. Pd2+ is bonded in a square co-planar geometry to four Br1- atoms. There are two shorter (2.43 Å) and two longer (2.46 Å) Pd–Br bond lengths. C2+ is bonded in a distorted single-bond geometry to one N3- and one Br1- atom. The C–N bond length is 1.26 Å. The C–Br bond length is 2.43 Å. N3- is bonded in a linear geometry to two equivalent C2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pd2+ atom. In the second Br1- site, Br1- is bonded in a trigonal non-coplanar geometry to one Pd2+ and two equivalent C2+ atoms.},

  doi          = {10.17188/1656014},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1656014

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