Materials Data on CdH20C2S2(NO2)6 by Materials Project

doi:10.17188/1284583

Title: Materials Data on CdH20C2S2(NO2)6 by Materials Project

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Abstract

Cd(NH)2(CNH2)2(H2)4(NO)2(H3SO4)2O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ac1nrvfo molecules, four hydrogen molecules, one hydrogen peroxide molecule, two methanimine molecules, two nitroxyl molecules, and one Cd(NH)2 cluster. In the Cd(NH)2 cluster, Cd2+ is bonded in a distorted linear geometry to two equivalent N+0.33- atoms. Both Cd–N bond lengths are 2.09 Å. N+0.33- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one H1+ atom. The N–H bond length is 1.04 Å. H1+ is bonded in a single-bond geometry to one N+0.33- atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-690848

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; CdH20C2S2(NO2)6; C-Cd-H-N-O-S

OSTI Identifier:: 1284583

DOI:: https://doi.org/10.17188/1284583

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                    The Materials Project. Materials Data on CdH20C2S2(NO2)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284583.

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                    The Materials Project. Materials Data on CdH20C2S2(NO2)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1284583

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                    The Materials Project. 2020.  
"Materials Data on CdH20C2S2(NO2)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1284583.  https://www.osti.gov/servlets/purl/1284583. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1284583,

  title        = {Materials Data on CdH20C2S2(NO2)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd(NH)2(CNH2)2(H2)4(NO)2(H3SO4)2O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ac1nrvfo molecules, four hydrogen molecules, one hydrogen peroxide molecule, two methanimine molecules, two nitroxyl molecules, and one Cd(NH)2 cluster. In the Cd(NH)2 cluster, Cd2+ is bonded in a distorted linear geometry to two equivalent N+0.33- atoms. Both Cd–N bond lengths are 2.09 Å. N+0.33- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one H1+ atom. The N–H bond length is 1.04 Å. H1+ is bonded in a single-bond geometry to one N+0.33- atom.},

  doi          = {10.17188/1284583},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1284583

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