Crystal and Molecular Structure of Tris(cyclopentadienyltricarbonylrnolybdenum)thallium(III), Tl(Mo(CO)3(π-C5H5))3

Jayaraman Rajaram, James A Ibers*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

42 Scopus citations


The crystal and molecular structure of a potentially highly conducting complex tris(cyclopentadienyltricarbonylmolybde-num)thallium(III), Tl(Mo(CO)3Cp)3 (Cp = π-C5H5), has been determined from three-dimensional X-ray data collected by counter techniques. The coordination around the central thallium atom is trigonal pyramidal with an average Tl-Mo bond distance of 2.965 A and an average Mo-Tl-Mo bond angle of 119.7°. individual Tl-Mo bond distances and Mo-Tl-Mo bond angles differ significantly from these average values. The T1 is 0.586 (1) Å out of the plane of the three Mo atoms. No other metal-metal interactions are observed. Crystal data are as follows: triclinic, space group Ci1 -P1, a = 11.131 (9) Å, b = 17.305 (16) Å, c = 6.833 (9) Å, α = 98.59 (5)°, β= 96.45 (5)°, γ= 79.51 (5)° (temperature 22°), Z = 2;dobsd = 2.3 (1)g/cm3, dcalcd = 2.44 g/cm3. The structure was refined using 2060 independent reflections for which Fo2 > 3σ(Fo2) and the refinement converged to a conventional R factor (on F) of 0.030.

Original languageEnglish (US)
Pages (from-to)1313-1317
Number of pages5
JournalInorganic chemistry
Issue number6
StatePublished - Jun 1 1973

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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