Materials Data on Rh6C19NO15 by Materials Project

doi:10.17188/1740751

Title: Materials Data on Rh6C19NO15 by Materials Project

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Abstract

(Rh)6C5NO(CO)14 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of fifty-six formaldehyde molecules, twenty-four rhodium molecules, and four C5NO clusters. In each C5NO cluster, there are five inequivalent C+0.63+ sites. In the first C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.19 Å. In the second C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.47 Å. In the third C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.50 Å. In the fourth C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.66 Å. In the fifth C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.67 Å. N3- is bonded in a 5-coordinate geometry to four C+0.63+ and one O2- atom. The N–O bond length is 3.08 Å. O2- is bonded in a single-bond geometry to one C+0.63+ and one N3- atom.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1180014

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; Rh6C19NO15; C-N-O-Rh

OSTI Identifier:: 1740751

DOI:: https://doi.org/10.17188/1740751

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                    The Materials Project. Materials Data on Rh6C19NO15 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1740751.

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                    The Materials Project. Materials Data on Rh6C19NO15 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740751

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                    The Materials Project. 2019.  
"Materials Data on Rh6C19NO15 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740751.  https://www.osti.gov/servlets/purl/1740751. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1740751,

  title        = {Materials Data on Rh6C19NO15 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Rh)6C5NO(CO)14 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of fifty-six formaldehyde molecules, twenty-four rhodium molecules, and four C5NO clusters. In each C5NO cluster, there are five inequivalent C+0.63+ sites. In the first C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.19 Å. In the second C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.47 Å. In the third C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.50 Å. In the fourth C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.66 Å. In the fifth C+0.63+ site, C+0.63+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.67 Å. N3- is bonded in a 5-coordinate geometry to four C+0.63+ and one O2- atom. The N–O bond length is 3.08 Å. O2- is bonded in a single-bond geometry to one C+0.63+ and one N3- atom.},

  doi          = {10.17188/1740751},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1740751

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