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3DED raw data for "A flexible copper MOF as a carboxylate-selective crystalline sponge for structure solution using X-ray and electron diffraction"

  • Daniel Rainer (University of Southampton) (Creator)
  • Simon Coles (Creator)
  • Russell Main (University of St Andrews) (Creator)
  • Russell Morris (Creator)

Dataset

Description

Raw 3D ED data for crystal structures included in the title publication (https://doi.org/10.1039/D5SC05651A).
Collection site University of Southampton, NCS Sample labels CCDC2415257, CCDC2415258, CCDC2415259 Instrumental
Instrument
Rigaku XtaLAB Synergy-ED, electron diffractometer Radiation source LaB6
Accelerating voltage [kV] 200
Wavelength [Å] 0.0251

Probe type Parallel beam - Beam diameter
Beam convergence Parallel beam
Detector Rigaku HyPix-ED, hybrid pixel array detector
Number of pixels in the image 775 x 385 Pixel size [µm] 100

Hardware binning
Experimental Data type Electron diffraction data - 3DED
Data collection method continuous rotation  - cRED
Collection temperature [K] 175

Software
Software used for the data collection CrysAlisPro
Software used for processing CrysAlisPro

Files and data formats
Image folders ./frames/xxx.rodhypix./frames/TIFF/xxx.tiff
Image format .rodhypix (Rigaku proprietary image format).tiff (32bit, converted with CrysAlisPro 1.171.44.86a)

Additional files CrysAlisPro input files:./expinfo/./CrysalisExpSettings.ini./exp_XXX.par./exp_XXX.run./new.ccd



 
Date made available8 Jan 2025
PublisherZenodo

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