Combined Data - Compound [1(2B)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 five time traces obtained on stitching together the short-tau and long-tau traces for compound [1(2B)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: 3690 G - 534 ns3730 G - 626 ns3770 G - 625 ns3810 G - 496 ns3850 G - 426 ns Furthermore, the 3850 G combined trace was truncated to a length of 868 ns before experimental data was fitted.
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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