Most of the data in this folder are IGOR files which contain the graphs and raw data. IGOR can be downloaded for free as a Limited Functionality Demo which allows copying of the raw data. If there are any issues with this please contact one of the main authors and we can supply the data in another format. IR Imaging data only opens with OPUS software which is capable of opening IR imaging files - at the time of writing we do not possess this software ourselves, we remote logged in to a computer at B22 at Diamond Light Source to open the file. The single crystal X-Ray diffraction files open with free Mercury software. The new C1 polymorph (allong with the other polymorphs from existing literature) are available on the Cambridge Structural Database (CSD).