Primary Data (Longer Tau) - Compound [1(2A)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)

Dataset

Description

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 experimental DEER traces (before and after background correction in DeerAnalysis) measured for compound [1(2A)3] with a relatively long tau-2 value in order to maximise the length of the traces.
Date made available3 Apr 2024
PublisherUniversity of Manchester Figshare

Keywords

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

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