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Title: Materials Data on PdC8(NCl3)2 by Materials Project

Abstract

Pd2C12(NCl4)3C4N crystallizes in the cubic Fd-3c space group. The structure is three-dimensional and consists of sixteen tetramethylammonium molecules and one Pd2C12(NCl4)3 framework. In the Pd2C12(NCl4)3 framework, Pd2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Pd–Cl bond lengths are 2.68 Å. C+1.25+ is bonded in a distorted bent 150 degrees geometry to one N3- and one Cl1- atom. The C–N bond length is 1.48 Å. The C–Cl bond length is 1.67 Å. N3- is bonded in a 4-coordinate geometry to four equivalent C+1.25+ atoms. Cl1- is bonded in a 2-coordinate geometry to one Pd2+ and one C+1.25+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1180959
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; PdC8(NCl3)2; C-Cl-N-Pd
OSTI Identifier:
1666580
DOI:
https://doi.org/10.17188/1666580

Citation Formats

The Materials Project. Materials Data on PdC8(NCl3)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1666580.
The Materials Project. Materials Data on PdC8(NCl3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1666580
The Materials Project. 2019. "Materials Data on PdC8(NCl3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1666580. https://www.osti.gov/servlets/purl/1666580. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1666580,
title = {Materials Data on PdC8(NCl3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd2C12(NCl4)3C4N crystallizes in the cubic Fd-3c space group. The structure is three-dimensional and consists of sixteen tetramethylammonium molecules and one Pd2C12(NCl4)3 framework. In the Pd2C12(NCl4)3 framework, Pd2+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Pd–Cl bond lengths are 2.68 Å. C+1.25+ is bonded in a distorted bent 150 degrees geometry to one N3- and one Cl1- atom. The C–N bond length is 1.48 Å. The C–Cl bond length is 1.67 Å. N3- is bonded in a 4-coordinate geometry to four equivalent C+1.25+ atoms. Cl1- is bonded in a 2-coordinate geometry to one Pd2+ and one C+1.25+ atom.},
doi = {10.17188/1666580},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}