Studies of Metal-Nitrogen Multiple Bonds. I. Crystal and Molecular Structure of Nitridodichlorotris(Diethylphenylphosphine)Rhenium(V), ReNCl2[P(C2H5)2C6H5]3

P. W.R. Corfield, Robert J. Doedens, James A. Ibers

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Abstract

The crystal and molecular structure of nitridodichlorotris(diethylphenylphosphme)rhemum(V), ReNCl2[P(C2H5)2C6H5]3, has been determined from three-dimensional X-ray data collected by counter methods. The structure has been refined by least-squares techniques down to a final R factor of 5.1% on F. The material crystallizes in space group C2h5-P2t/c of the monoclinic system, with four molecules in a cell of dimensions a = 18.67, b = 11.51, c = 18.19 A; β = 122° 34’. The individual molecular units are well separated. The inner coordination around Re is octahedral. If the three P atoms and one Cl atom are taken to define an equatorial plane, then N and the other Cl are above and below this plane, respectively. The octahedral configuration is somewhat distorted. Multiple bonding between the Re and N atoms is suggested by several features of the molecular structure: (1) the Re-N distance is 1.778 ± 0.011 A; (2) there is some over-all lengthening of the equatorial distances (Re-Cl = 2.454 ± 0.004 A; Re-P = 2.442 ± 0.004, 2.469 ± 0.005, 2.490 ± 0.005 A); (3) the Re-Cl distance of 2.563 ± 0.004 A trans to N is exceedingly long.

Original languageEnglish (US)
Pages (from-to)197-204
Number of pages8
JournalInorganic chemistry
Volume6
Issue number2
DOIs
StatePublished - Feb 1 1967

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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