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Title: Materials Data on PdC4(Br2N)2 by Materials Project

Abstract

PdC4(NBr2)2 crystallizes in the orthorhombic Cmce space group. The structure is one-dimensional and consists of four PdC4(NBr2)2 ribbons oriented in the (1, 0, 0) direction. Pd2+ is bonded in a square co-planar geometry to four Br1- atoms. There are two shorter (2.43 Å) and two longer (2.46 Å) Pd–Br bond lengths. C2+ is bonded in a distorted single-bond geometry to one N3- and one Br1- atom. The C–N bond length is 1.26 Å. The C–Br bond length is 2.43 Å. N3- is bonded in a linear geometry to two equivalent C2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pd2+ atom. In the second Br1- site, Br1- is bonded in a trigonal non-coplanar geometry to one Pd2+ and two equivalent C2+ atoms.

Publication Date:
Other Number(s):
mp-1192471
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; PdC4(Br2N)2; Br-C-N-Pd
OSTI Identifier:
1656014
DOI:
https://doi.org/10.17188/1656014

Citation Formats

The Materials Project. Materials Data on PdC4(Br2N)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1656014.
The Materials Project. Materials Data on PdC4(Br2N)2 by Materials Project. United States. doi:https://doi.org/10.17188/1656014
The Materials Project. 2019. "Materials Data on PdC4(Br2N)2 by Materials Project". United States. doi:https://doi.org/10.17188/1656014. https://www.osti.gov/servlets/purl/1656014. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1656014,
title = {Materials Data on PdC4(Br2N)2 by Materials Project},
author = {The Materials Project},
abstractNote = {PdC4(NBr2)2 crystallizes in the orthorhombic Cmce space group. The structure is one-dimensional and consists of four PdC4(NBr2)2 ribbons oriented in the (1, 0, 0) direction. Pd2+ is bonded in a square co-planar geometry to four Br1- atoms. There are two shorter (2.43 Å) and two longer (2.46 Å) Pd–Br bond lengths. C2+ is bonded in a distorted single-bond geometry to one N3- and one Br1- atom. The C–N bond length is 1.26 Å. The C–Br bond length is 2.43 Å. N3- is bonded in a linear geometry to two equivalent C2+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pd2+ atom. In the second Br1- site, Br1- is bonded in a trigonal non-coplanar geometry to one Pd2+ and two equivalent C2+ atoms.},
doi = {10.17188/1656014},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}