Data Collected During Simultaneous Neutron Powder Diffraction and Microwave Characterisation at Elevated Temperatures

This dataset contains data collected during simultaneous neutron diffraction and microwave characterisation of a metal-organic framework (MOF), MFM-170, at elevated temperatures. The experiment consisted of the desolvation of the as synthesised MOF sample by flowing nitrogen gas heated to 150 °C through the sample, followed by rehydration of the sample by flowing air through the sample, and subsequent desolvation at a higher flow rate.

Temperatures throughout the experiment are given (time and temperature) along with microwave data (including resonant frequency, bandwidth and Q factor) and neutron data  (including time, D-spacing, and intensity) throughout the experiment described above. Also provided is the summation of NPD patterns under equilibrated conditions.

Also, the as synthesised NPD plot for MFM-170 from bank 1 of POLARIS and the simulated NPD pattern for MFM-170 generated from the crystal structure is given.

Finally, data is given for thermal Gravimetric Analysis–Mass Spectrometry (TGA-MS) conducted ex-situ on an air-dried as synthesised sample of MFM-170 (time, temperature and sample mass).

Research results based upon these data are published at https://doi.org/10.1039/D1CP03658K