Materials Data on BiRu2(CO)6 by Materials Project

doi:10.17188/1281189

Title: Materials Data on BiRu2(CO)6 by Materials Project

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Abstract

(Ru(CO)3)2Bi crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four bismuth molecules and eight Ru(CO)3 clusters. In each Ru(CO)3 cluster, Ru+4.50+ is bonded in a distorted T-shaped geometry to three C atoms. There is one shorter (1.88 Å) and two longer (1.91 Å) Ru–C bond length. There are three inequivalent C sites. In the first C site, C is bonded in a linear geometry to one Ru+4.50+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C site, C is bonded in a distorted linear geometry to one Ru+4.50+ and one O2- atom. The C–O bond length is 1.17 Å. In the third C site, C is bonded in a linear geometry to one Ru+4.50+ and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C atom.

Publication Date:: 2020-05-02

Other Number(s):: mp-652854

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; Bi-C-O-Ru; BiRu2(CO)6; crystal structure

OSTI Identifier:: 1281189

DOI:: https://doi.org/10.17188/1281189

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                    Materials Data on BiRu2(CO)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281189.

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                    Materials Data on BiRu2(CO)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281189

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                    2020.  
"Materials Data on BiRu2(CO)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281189.  https://www.osti.gov/servlets/purl/1281189. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1281189,

  title        = {Materials Data on BiRu2(CO)6 by Materials Project},

  
  abstractNote = {(Ru(CO)3)2Bi crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four bismuth molecules and eight Ru(CO)3 clusters. In each Ru(CO)3 cluster, Ru+4.50+ is bonded in a distorted T-shaped geometry to three C atoms. There is one shorter (1.88 Å) and two longer (1.91 Å) Ru–C bond length. There are three inequivalent C sites. In the first C site, C is bonded in a linear geometry to one Ru+4.50+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C site, C is bonded in a distorted linear geometry to one Ru+4.50+ and one O2- atom. The C–O bond length is 1.17 Å. In the third C site, C is bonded in a linear geometry to one Ru+4.50+ and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C atom.},

  doi          = {10.17188/1281189},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1281189

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