Raw 3D ED data for Zn3HOTP2 MOF

This upload contains the raw electron diffraction data for the publication " High-resolution structure of Zn3(HOTP)2 (HOTP = hexaoxidotriphenylene), a three-dimensional conductive MOF", https://doi.org/10.1039/D5SC00894H. The data sets were processed with PETS2 software. The table below summarizes the data-collection parameters for the dataset. Instrumental: Instrument Transmission electron microscope FEI Tecnai G2 20 Radiation source LaB6 Accelerating voltage 200 kV Wavelength 0.0251 Å Probe Type Microdiffraction Beam Diameter 900nm Beam Convergence Parallel beam, convergence <0.1mrad Detector Hybrid pixel detector ASI Cheetah (side mounted) Number of pixels in the image 512 x 512 Pixel size 55 µm x 55 µm Effective camera length 2000 mm Calibration constant 0.004238 Å-1/pixel Sample description: Name Zn-HOTP Chemical composition Zn3(HOTP)2 with HOTP=2,3,6,7,10,11-hexahydroxytriphenylene Sample preparation Powder crushed in an agate mortar and deposited on a Cu grid with holey C film Experimental: Data Type Electron diffraction data - 3D ED Data collection method Continuous Rotation Temperature (K) used during data collection 298 K Number of experimental frames 367 tilt range, tilt step, tilt per frame -55° to +55°, 0.3°, 0.3° Exposure time per frame 799ms Software: Software used for the data collection RATS (in-house script) Software used for processing PETS2 (ver 2.2.20240110.1634) Authorship and bibliography Author(s) of the data Lukas Palatinus, Jules Oppenheim, Peter Mueller Publication https://doi.org/10.1039/D5SC00894H Files and data formats Image folder dpCROT : Folder containing images of the diffraction pattern from each frames. Image format tiff_16bit Additional folders/files img : a few images of the crystal and illuminating probe tracking: series of images of the crystal acquired during pre-collection crystal tracking cr24RT-crot-030_petsdata : processing files of PETS2 processing cr24RT-crot-030.pts2 :_input file for the program PETS2 used for processing the data