Structure of aqua-hexakis(mu 2-benzoato)-bis(methanol)-mu 3-oxo-triiron(III) benzoate ethanol methanol solvate

Acta Crystallogr C. 1991 Apr 15:47 ( Pt 4):866-9. doi: 10.1107/s010827019001085x.

Abstract

[Fe3(O)(C7H5O2)6(CH3OH)2(H2O)]-[C7H5O2]-C2H5OH-CH3OH (1/1/1), Mr = 1191.56, triclinic, P1-, a = 11.591 (3), b = 13.308 (2), c = 20.154 (3) A, alpha = 96.910 (12), beta = 96.95 (2), gamma = 114.10 (2) degrees, V = 2767.1 (9) A3, Z = 2, Dx = 1.43 g cm-3, mu = 8.471 cm-1, Mo K alpha radiation, lambda = 0.7107 A, F(000) = 1234, T = 198 K, R = 0.0522 for 6252 reflections [Fo greater than or equal to 4 sigma (Fo)]. The complex has nearly D3h symmetry with two coordinated CH3OH molecules and one coordinated H2O molecule. The coordination around the Fe atoms is essentially octahedral. Each Fe atom lies slightly out of the plane of the O atoms of the bridging benzoates and is directed towards the mu 3-O atom. The average Fe--O distances are 1.907 (2) A for the mu 3-O atom and 2.010 (1) A for the benzoate O atoms.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Benzoates / chemistry*
  • Chemical Phenomena
  • Chemistry, Physical
  • Crystallization
  • Iron
  • Methanol / analogs & derivatives*
  • Methanol / chemistry
  • Molecular Structure
  • Organometallic Compounds* / chemistry*
  • Solvents / chemistry*
  • X-Ray Diffraction

Substances

  • Benzoates
  • Organometallic Compounds
  • Solvents
  • Iron
  • Methanol