Materials Data on RuSN4(ClO)2 by Materials Project

doi:10.17188/1738839

Title: Materials Data on RuSN4(ClO)2 by Materials Project

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Abstract

RuN2ClN2ClSO2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four sulfur dioxide molecules, four N2Cl clusters, and four RuN2Cl clusters. In each N2Cl cluster, N1+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.53 Å. Cl1- is bonded in a 2-coordinate geometry to two equivalent N1+ atoms. In each RuN2Cl cluster, Ru4+ is bonded in a trigonal non-coplanar geometry to two equivalent N1+ and one Cl1- atom. Both Ru–N bond lengths are 1.72 Å. The Ru–Cl bond length is 2.26 Å. N1+ is bonded in a single-bond geometry to one Ru4+ atom. Cl1- is bonded in a single-bond geometry to one Ru4+ atom.

Publication Date:: 2020-04-29

Other Number(s):: mp-1198427

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; Cl-N-O-Ru-S; RuSN4(ClO)2; crystal structure

OSTI Identifier:: 1738839

DOI:: https://doi.org/10.17188/1738839

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                    Materials Data on RuSN4(ClO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738839.

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                    Materials Data on RuSN4(ClO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738839

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                    2020.  
"Materials Data on RuSN4(ClO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738839.  https://www.osti.gov/servlets/purl/1738839. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1738839,

  title        = {Materials Data on RuSN4(ClO)2 by Materials Project},

  
  abstractNote = {RuN2ClN2ClSO2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four sulfur dioxide molecules, four N2Cl clusters, and four RuN2Cl clusters. In each N2Cl cluster, N1+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.53 Å. Cl1- is bonded in a 2-coordinate geometry to two equivalent N1+ atoms. In each RuN2Cl cluster, Ru4+ is bonded in a trigonal non-coplanar geometry to two equivalent N1+ and one Cl1- atom. Both Ru–N bond lengths are 1.72 Å. The Ru–Cl bond length is 2.26 Å. N1+ is bonded in a single-bond geometry to one Ru4+ atom. Cl1- is bonded in a single-bond geometry to one Ru4+ atom.},

  doi          = {10.17188/1738839},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1738839

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