Materials Data on C(NO)2 by Materials Project
收藏DataCite Commons2021-02-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1758015/
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资源简介：
N2CO2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of eight ammonia molecules and eight (CO2)N clusters. In each (CO2)N cluster, C4+ is bonded in a 1-coordinate geometry to one N and two O2- atoms. The C–N bond length is 1.36 Å. There is one shorter (1.19 Å) and one longer (1.41 Å) C–O bond length. N is bonded in a 1-coordinate geometry to one C4+ and one O2- atom. The N–O bond length is 1.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one C4+ and one N atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2021-01-15
