The Crystal and Molecular Structure of Dinitrosylbis(triphenylphosphine)iridium Perchlorate, [Ir(NO)2(P(C6H5)3)2] [CIO4]

D. M.P. Mingos, James A Ibers

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Abstract

The structure of dinitrosylbis(triphenylphosphine)iridium perchlorate, [Ir(NO)2(P(C6H5)3)2] [CIO4], has been determined from three-dimensional X-ray data collected by counter methods. The compound crystallizes in the space group C2h6-C2/c of the monoclinic system with four molecules in a unit cell of dimensions α = 17.090 (16)Å, b = 12.413 (13)Å, c = 17.165 (17)Å, and ß = 108.02 (11)°. The observed and calculated densities are 1.69 (±0.02) and 1.68 g/cm8, respectively. Least-squares refinement of the structuee has led to a final value of the conventional R factor (on F) of 0.043 for the 1597 independent reflections having F2 > 3σ (F2). The crystal structure consists of well-separated, discrete, monomeric ions. The coordination geometry around the iridium atom is only approximately tetrahedral; the N-Ir--N angle, 154.2 (7)°, is much larger than expected. Possible reasoss for this distortion are discussed. The iridium-nitrogen-oxygen bond angle of 164 (1)° deviates considerably from linearity. The perchlorate anion is disordered about two positions and has been refined as a rigid group, with normal tetrahedral angles of 109° 28′ and chlorine-oxygen bond lengths of 1.43Å.

Original languageEnglish (US)
Pages (from-to)1105-1111
Number of pages7
JournalInorganic Chemistry
Volume9
Issue number5
DOIs
StatePublished - May 1 1970

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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