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MicroED Characterization of a Robust Cationic σ-Alkane Complex Stabilized by the [B(3,5-(SF5)2C6H3)4]– Anion, via On-Grid Solid/Gas Single-Crystal to Single-Crystal Reactivity.

<p>3DED/MicroED datasets collected&nbsp;using a Thermo Fisher Scientific Glacios microscope equipped with a Ceta-D Camera&nbsp;associated with the publication &quot;MicroED Characterization of a Robust Cationic &sigma;-Alkane Complex Stabilized by the [B(3,5- (SF5)2C6H3)4]&ndash; Anion, via On-Grid Solid/Gas Single-Crystal to Single-Crystal Reactivity.&quot; published in <a href="https://doi.org/10.1039/D2DT00335J">Dalton Transactions</a>.&nbsp;</p> <p>Data collection details:&nbsp;</p> <p>200kV, microprobe, gun lens 4, spot size 11, 30 &micro;m C2 aperture. Illuminated area was ~4 &micro;m and a 40 &micro;m SA aperture was used. Under these conditions flux is ~0.01 e-/&Aring;^2/s.&nbsp;Camera length calibrated from Al powder was 958.5 mm. Data acquired using EPU-D with following settings: 2x binning, 0.5 &deg;/s, 2s exposure, rolling shutter, noise reduction mode enabled.&nbsp;</p> <p>MRC format images can be processed with DIALS using the FormatMRC dxtbx format (distributed with DIALS from version 3.5 onwards), use&nbsp;goniometer.axes=1,0,0. Some processing notes for the&nbsp;&sigma;-alkane Complex ([1-NBA][S-BArF4] in the paper) can be found&nbsp;<a href="https://github.com/huwjenkins/ed_scripts/wiki/Processing-%5BRh(NBA)(dcpe)%5D%5BB(ArSF5)4%5D-data-from-zenodo.org-record-5760938">here</a>.</p>

ShareScore

32/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
16
Reuse readiness
8
Engagement
0