RODIN X-ray Diffraction Data 2360283

Each zip file contains X-ray diffraction images for Hexacarbonyl tungsten using synchrotron radiation.

This dataset is part of the Resource of Diffraction Images Newcastle (RODIN), intended for the teaching of crystallography. More information about RODIN can be found on the CCDC website, as well as in the following article:

J. Chem. Educ. 2024, 101, 10, 4276–4281 DOI: 10.1021/acs.jchemed.4c00797  

RODIN was created for educational purposes and is ideal for teaching at secondary school and University level. We also encourage its use for teaching early-stage researchers crystallographic data processing and training new diffractometer users. The diffraction images from this project can be downloaded from Zenodo and used in teaching. You can use this resource to help students understand how to go from diffraction images to a solved crystal structure. Please note that structures from these datasets are already in the Cambridge Structural Database (CSD) and you should not submit your final structure solution to the CSD or publish them, they are intended for teaching purposes only. The diffraction images are provided under a CC-BY license. 

The zip information is as follows:

• CCDC_2360283.zip contains images in their original .cbf format.
• CCDC_2360283_c2.zip contains the .cbf images converted to .sfrm format (with a compression of 2). The images were converted using cbf_to_sfrm as described in: Johnson, N.T.; Waddell, P.G.; Clegg, W.; Probert, M.R. Remote Access Revolution: Chemical Crystallographers Enter a New Era at Diamond Light Source Beamline I19. Crystals 2017, 7, 360. https://doi.org/10.3390/cryst7120360. This paper also contains further information about the synchrotron data collection process, including sample loading and transport.

Other measurements of Hexacarbonyl tungsten are available using a Rigaku instrument and Cu X-ray radiation with a constant  (10.5281/zenodo.11925164) or variable (10.5281/zenodo.11925895) frame exposure time, Mo X-ray wavelength (10.5281/zenodo.11926636), as well as measurements using Bruker instrumentation (10.5281/zenodo.11965992) and STOE instrumentation (10.5281/zenodo.12568724).

A final structure solution for this data can be found in the CSD.

The tables below summarise the data collection parameters for the experiment.

General information

Instrument information

Experimental information

Crystal information

Software information

File information CCDC_2360283.zip

File information CCDC_2360283_c2.zip