Data for: "A metal-organic polyhedron-to-coordination polymer transition revealed by 3D electron diffraction"

Dataset

Description

This folder contains the raw experimental and theoretical data files for the above publication. The data are separated into folders for each sample that is described in the main manuscript.

Within each folder, there is a sub-folder for the corresponding raw experimental data:

IGA = gas sorption measurements
IR = infra-red spectroscopy data
PXRD = powder X-ray diffraction data
SEM = Scanning electron microscopy images.

Where possible, data have been included as .txt files or Excel files.

The folder named "theory" contains all the associated raw data and outputs of
the theoretical simulations described in the main manuscript. These are separated into three folders, as described in the paper: GCMC, VASP, and PoreBlazer.
Date made available27 Aug 2025
PublisherUniversity of Strathclyde

Cite this