Structural phase transition in the spin-crossover complex [Fe(ptz) 6](BF4)2 studied by x-ray diffraction

Physical Review B - Condensed Matter and Materials Physics

Volumn 82, Issue 13, 2010, Pages

  Lakhloufi, S ^a,b   Guionneau, P ^a   Lemee Cailleau M H ^b   Rosa, P ^a   Letard J F ^a  

^a UNIVERSITÉ DE BORDEAUX   (France)

^b INSTITUT LAUE LANGEVIN   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 78049384577     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.82.132104     Document Type: Article

References (24)

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20. int =0.030 ) for 128 refined parameters. Final R indices were R[I>2σ(I)]=0.036 and R (all data)=0.040. Full details are given in Supplementary Information as CIF file. The final quality criterions are much better in the present case than in the earlier published data for the HS-R 3̄ phase. Consequently these new data are used for the discussion.
21. -1 then the temperature was unchanged during the data collection duration of two and a half hours. Short data collections were run by means of φ scans, 2 ° per rotation frame, 120 s per frame, and a distance crystal detector of 40.0 mm leading to 77 images per temperature.
22. 3. Final R indices were R [I>2σ (I) ] =0.19 and R (all data ) =0.29. The final crystal structure is of poor quality due to the Bragg peak splitting. If the rough crystal structure can be determined, it cannot be reliably refined in detail, this is notably the case for the tetrafluoroborate and the n -propyl groups (see text). Many attempts at lower temperature, on other samples and with different experimental setups gave the same results. However, further work is in progress.
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