Combined Data - Compound [1(2E)3]

  • Lubomir Loci (Creator)
  • Selena J. Lockyer (Creator)
  • Tom S. Bennett (Creator)
  • Ciaran J. Rogers (Creator)
  • Adam Brookfield (Creator)
  • Grigore A. Timco (Creator)
  • Jack Miller (Creator)
  • George F. S. Whitehead (Creator)
  • Selina Nawaz (Creator)
  • Richard Winpenny (Creator)
  • Alice Bowen (Creator)



This dataset supports the data found in the manuscript "Characterizing X-ray and Solution State Conformations for a Model Qubit System: {Cr7Ni} Ring Rotaxanes on a Mixed Metal Triangle"; descriptions of methods employed and compound structures are given in the manuscript. This dataset contains the four time traces obtained on stitching together the short-tau and long-tau traces for compound [1(2E)3]. The field value of each combined trace, along with the time point at which the two constituent traces were stitched together, are as follows: 3680 G - 634 ns3720 G - 666 ns3760 G - 646 ns3800 G - 658 ns The signal-to-noise ratio of the long-tau 3840 G trace was too poor to stitch together with the short-tau 3840 G trace, hence these two traces were not combined before fitting the experimental data (only the short-tau 3840 G trace was used for this purpose).
Date made available3 Apr 2024
PublisherUniversity of Manchester Figshare


  • DEER
  • double electron electron resonance
  • molecular magnets
  • structure determination approaches
  • earth mover's distance (EMD)

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