First example of crystal structure of the nitrosoruthenium(II) trinitrato complex

V. A. Vorobyev, V. A. Emelyanov, I. A. Baidina, D. A. Piryazev

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

Single crystal X-ray diffraction is used to study the nitrosoruthenium mer-trinitrato complex [RuNO(NH3)2(NO3)3]. The crystallographic data for H6N6O10Ru are as follows: a = 7.6477(1) Å, b = 10.8404(2) Å, c = 24.0168(6) Å, α = β = γ = 90°, V = 1991.09(7) Å3, Z = 8, dcalc = 2/338 g/cm3, space group P212121. The structure is formed of two structurally non-equivalent uncharged mer-[RuNO(NH3)2(NO3)3] complexes. The complex crystallizes as yellow needles or orange powder belonging to the orthorhombic system. The substance is poorly soluble in water, ethanol, and acetone, stable in dark storage. The comparisons with the EXAFS data for this complex and the theoretical DFT calculations with different functionals are performed.

Original languageEnglish
Pages (from-to)975-982
Number of pages8
JournalJournal of Structural Chemistry
Volume58
Issue number5
DOIs
Publication statusPublished - 1 Sep 2017

Keywords

  • ammine complexes
  • DFT calculations
  • nitrato complexes
  • nitrosyl complexes
  • ruthenium
  • single crystal X-ray diffraction analysis
  • spent nuclear fuel
  • NITRIC-ACID SOLUTIONS
  • BEHAVIOR
  • CORRELATION-ENERGY
  • RUTHENIUM
  • GENERALIZED GRADIENT APPROXIMATION
  • DENSITY
  • NITROSYLRUTHENIUM
  • EXTRACTION
  • METALS
  • CHEMISTRY

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