Materials Data on H30Ru2Pt(NCl)10 by Materials Project

doi:10.17188/1700341

Title: Materials Data on H30Ru2Pt(NCl)10 by Materials Project

Dataset
Other Related Research

Abstract

PtCl6(RuN5H15Cl)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules, two PtCl6 clusters, and four RuN5H15Cl clusters. In each PtCl6 cluster, Pt2+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Pt–Cl bond distances ranging from 2.34–2.36 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom. In each RuN5H15Cl cluster, Ru4+ is bonded in an octahedral geometry to five N3- and one Cl1- atom. There are one shorter (2.12 Å) and four longer (2.14 Å) Ru–N bond lengths. The Ru–Cl bond length is 2.32 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Ru4+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Ru4+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. Inmore »« less

Publication Date:: 2019-01-12

Other Number(s):: mp-1213350

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-H-N-Pt-Ru; H30Ru2Pt(NCl)10; crystal structure

OSTI Identifier:: 1700341

DOI:: https://doi.org/10.17188/1700341

Citation Formats


                    Materials Data on H30Ru2Pt(NCl)10 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1700341.

Copy to clipboard


                    Materials Data on H30Ru2Pt(NCl)10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1700341

Copy to clipboard


                    2019.  
"Materials Data on H30Ru2Pt(NCl)10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1700341.  https://www.osti.gov/servlets/purl/1700341. Pub date:Sat Jan 12 04:00:00 UTC 2019

Copy to clipboard


                    
@article{osti_1700341,

  title        = {Materials Data on H30Ru2Pt(NCl)10 by Materials Project},

  
  abstractNote = {PtCl6(RuN5H15Cl)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules, two PtCl6 clusters, and four RuN5H15Cl clusters. In each PtCl6 cluster, Pt2+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Pt–Cl bond distances ranging from 2.34–2.36 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom. In each RuN5H15Cl cluster, Ru4+ is bonded in an octahedral geometry to five N3- and one Cl1- atom. There are one shorter (2.12 Å) and four longer (2.14 Å) Ru–N bond lengths. The Ru–Cl bond length is 2.32 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Ru4+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Ru4+ and three H1+ atoms. There is two shorter (1.03 Å) and one longer (1.04 Å) N–H bond length. In the third N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Ru4+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Ru4+ atom.},

  doi          = {10.17188/1700341},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1700341

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on PtRh2(NCl)10 by Materials Project

Dataset

(RhCl)2Pt(N2Cl3)2(N2)2(NCl)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight ammonia molecules, four chloramine molecules, two Pt(N2Cl3)2 clusters, and four RhCl clusters. In each Pt(N2Cl3)2 cluster, Pt2+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.34 Å) and two longer (2.35 Å) Pt–Cl bond lengths. N+0.20+ is bonded in a distorted water-like geometry to one Cl1- atom. The N–Cl bond length is 2.41 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom. In themore »« less
Materials Data on Ir3(NCl)10 by Materials Project

Dataset

IrCl6(IrN3Cl2)2(N2)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four nitrogen molecules, two IrCl6 clusters, and four IrN3Cl2 clusters. In each IrCl6 cluster, Ir4+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Ir–Cl bond distances ranging from 2.29–2.33 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir4+ atom. In the third Cl1- site, Cl1- is bonded in amore »« less
Materials Data on ReH30Ru2(NCl)10 by Materials Project

Dataset

ReCl6(RuN5H15Cl)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two hexachlororhenium molecules, four hydrochloric acid molecules, and four RuN5H15Cl clusters. In each RuN5H15Cl cluster, Ru+3.50+ is bonded in an octahedral geometry to five N3- and one Cl1- atom. There are a spread of Ru–N bond distances ranging from 2.12–2.14 Å. The Ru–Cl bond length is 2.33 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Ru+3.50+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. In the secondmore »« less
Materials Data on Ir2Os(NCl)10 by Materials Project

Dataset

OsCl6(IrN5Cl2)2 is beta Sn-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two hexachloroosmium molecules and four IrN5Cl2 clusters. In each IrN5Cl2 cluster, Ir4+ is bonded in a 3-coordinate geometry to five N+0.60- and one Cl1- atom. There are a spread of Ir–N bond distances ranging from 1.76–2.37 Å. The Ir–Cl bond length is 2.48 Å. There are three inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ir4+ atom. In the second N+0.60- site, N+0.60- is bonded in a single-bond geometry to onemore »« less
Materials Data on OsRh2(NCl)10 by Materials Project

Dataset

OsRh2(NCl)10 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two OsRh2(NCl)10 ribbons oriented in the (0, 1, 0) direction. Os8+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Os–Cl bond distances ranging from 2.28–2.32 Å. Rh4+ is bonded in a 5-coordinate geometry to five N+0.60- atoms. There are a spread of Rh–N bond distances ranging from 1.76–2.25 Å. There are three inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in a distorted single-bond geometry to one Rh4+ and one Cl1- atom. The N–Cl bondmore »« less

Similar Records