Materials Data on H19C6S2(NO2)5 by Materials Project

doi:10.17188/1676907

Title: Materials Data on H19C6S2(NO2)5 by Materials Project

Dataset
Other Related Research

Abstract

C6N3H18S2O4H(NO3)2 is beta Sn-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 204575-95-1 molecules and two [bis[(trimethylaminio)sulfonyl]amine]ide molecules.

Publication Date:: 2019-01-11

Other Number(s):: mp-1203194

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; C-H-N-O-S; H19C6S2(NO2)5; crystal structure

OSTI Identifier:: 1676907

DOI:: https://doi.org/10.17188/1676907

Citation Formats


                    Materials Data on H19C6S2(NO2)5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1676907.

Copy to clipboard


                    Materials Data on H19C6S2(NO2)5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676907

Copy to clipboard


                    2019.  
"Materials Data on H19C6S2(NO2)5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676907.  https://www.osti.gov/servlets/purl/1676907. Pub date:Fri Jan 11 23:00:00 EST 2019

Copy to clipboard


                    
@article{osti_1676907,

  title        = {Materials Data on H19C6S2(NO2)5 by Materials Project},

  
  abstractNote = {C6N3H18S2O4H(NO3)2 is beta Sn-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 204575-95-1 molecules and two [bis[(trimethylaminio)sulfonyl]amine]ide molecules.},

  doi          = {10.17188/1676907},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1676907

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Ba2Tl(NO2)5 by Materials Project

Dataset

Ba2TlN4O9NO crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional and consists of four nitroxyl molecules and one Ba2TlN4O9 framework. In the Ba2TlN4O9 framework, there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.82–3.10 Å. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ba–O bond distances ranging from 2.53–2.98 Å. Tl1+ is bonded in a 1-coordinate geometry to two O2- atoms. Theremore »« less
Materials Data on AlZnB5H20C5(NO2)5 by Materials Project

Dataset

Al(BO2)5ZnH20(CN)5 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of two ZnH20(CN)5 clusters and one Al(BO2)5 framework. In one of the ZnH20(CN)5 clusters, Zn2+ is bonded in a trigonal bipyramidal geometry to five N3- atoms. There are a spread of Zn–N bond distances ranging from 2.09–2.20 Å. There are five inequivalent C1- sites. In the first C1- site, C1- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.47 Å. Both C–H bond lengths are 1.10 Å. In the second C1- site, C1- ismore »« less
Materials Data on AlZnB5H21C6(NO2)5 by Materials Project

Dataset

Al(BO2)5ZnC6N5H21 crystallizes in the monoclinic Cc space group. The structure is three-dimensional and consists of four ZnC6N5H21 clusters and one Al(BO2)5 framework. In each ZnC6N5H21 cluster, Zn2+ is bonded in a trigonal bipyramidal geometry to five N3- atoms. There are a spread of Zn–N bond distances ranging from 2.07–2.26 Å. There are six inequivalent C1- sites. In the first C1- site, C1- is bonded in a distorted trigonal non-coplanar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.48 Å. Both C–H bond lengths are 1.10 Å. In the second C1- site, C1- is bonded inmore »« less
Materials Data on K3Ni(NO2)5 by Materials Project

Dataset

K3Ni(NO2)5 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.02 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.18 Å. In the third K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging frommore »« less
Materials Data on K2Ru(NO2)5 by Materials Project

Dataset

K2RuN4O9NO crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four nitroxyl molecules and one K2RuN4O9 framework. In the K2RuN4O9 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.35 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.85–3.35 Å. Ru5+ is bonded in a single-bond geometry to one O2- atom. Themore »« less

Similar Records