Low-Temperature Structure of [Fe(ptz)6](BF4) 2 - Determination by Synchrotron-Radiation X-ray Powder Study

Yutaka Moritomo, Kenichi Kato, Akio Nakamoto, Norimichi Kojima, Eiji Nishibori, Masaki Takata, Makoto Sakata

Research output: Contribution to journalArticlepeer-review

22 Citations (Scopus)


Temperature dependence of atomic coordinates is precisely determined for an iron (II) complex, [Fe(ptz)6](BF4)2 (ptz = propyltetrazole), by means of synchrotron-radiation (SR) x-ray powder diffraction measurements. The spin state of the Fe2+ ions is known to change from high-spin (HS; S = 2) to low-spin (LS; S = 0) with a decrease in temperature to below Tc ≈ 130 K. We have found that the spin state transition accompanies a significant contraction of the Fe-N4 bond distance from ≈2.20 Å (HS) to ≈2.00 Å (LS).

Original languageEnglish
Pages (from-to)1015-1018
Number of pages4
Journaljournal of the physical society of japan
Issue number4
Publication statusPublished - 2002 Apr
Externally publishedYes


  • Rietveld structural analysis
  • Spin crossover
  • Synchrotron-radiation X-ray powder diffraction

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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