The Bonding of Molecular Nitrogen. III. The Crystal and Molecular Structure of Chlorodinitrogentetrakis(dimethylphenylphosphine)rhenium(I)

Betty R. Davis, James A Ibers*

*Corresponding author for this work

Research output: Contribution to journalArticle

63 Scopus citations

Abstract

The crystal and molecular structure of the molecular nitrogen complex chlorodinitrogentetrakis(dimethylphenylphosphine)-rhenium(I), ReCl(N2)(P(CH3)2C6H5)4, has been determined from three-dimensional X-ray data collected by counter techniques. The central rhenium atom is octahedrally coordinated to four phosphorus atoms, to the chlorine atom, and to a nitrogen atom of the molecular nitrogen group. The chlorine and nitrogen atoms are trans. The Re-Cl bond distance is 2.521 (4) Å, the Re-N bond distance is 1.97 (2) Å, and the four Re-P bond distances have a menn value of 2.422 (10) Å. The molecular nitrogen group is linear with an Re-N-N bond angle of 177 (1)° and a Cl-Re-N bond angle of 175.6 (4)°. Owing to partial disorder between the chlorine atom and the molecular nitrogen entity, a precise determination of the N-N distance has not been possible. Crystal data are as follows: triclinic, space group Ci1-P1; a = 12.730 (6) Å, b = 12.771 (6) Å, c = 11.523 (6) Å, α = 103.25 (3)°, β = 103.96 (2)°, γ = 95.37 (2)° (temperature 22°), Z = 2; dobsd = 1.57 (3) g/cm3, dcalcd = 1.53 g/cm3. The structure was refined using 1968 independent reflections for which F2 > 3σ(F2) and the refinement converged to a conventional R factor (on F) of 3.7%.

Original languageEnglish (US)
Pages (from-to)578-585
Number of pages8
JournalInorganic Chemistry
Volume10
Issue number3
DOIs
StatePublished - Mar 1 1971

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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