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 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 available | 3 Apr 2024 |
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Publisher | University of Manchester Figshare |
Keywords
- DEER
- double electron electron resonance
- molecular magnets
- structure determination approaches
- earth mover's distance (EMD)