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