Materials Data on H2RuN2Cl5O 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/1757025/
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资源简介：
RuH2OCl5N2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules and four RuH2OCl5 clusters. In each RuH2OCl5 cluster, Ru5+ is bonded in an octahedral geometry to one O2- and five Cl1- atoms. The Ru–O bond length is 2.17 Å. There are a spread of Ru–Cl bond distances ranging from 2.24–2.32 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted bent 120 degrees geometry to one Ru5+ and two H1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru5+ atom.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2021-01-15
