Materials Data on RhN3Cl6O 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/1754200/
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资源简介：
Rh(NCl3)2NO is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four Rh(NCl3)2 clusters. In each Rh(NCl3)2 cluster, Rh3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Rh–Cl bond distances ranging from 2.30–2.62 Å. There are two inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.56 Å. In the second N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.60 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Rh3+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to one Rh3+ and one N+1.67+ atom. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Rh3+ and one N+1.67+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-30
