RODIN X-ray Diffraction Data 2366176

The zip file contains X-ray diffraction images for 7,7,8,8-tetracyanoquinodimethanide using STOE instrumentation. 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. A final structure solution for this data can be found in the CSD. Other measurements for 7,7,8,8-tetracyanoquinodimethanide are available using Rigaku instrumentation (10.5281/zenodo.11489451) and Bruker instrumentation (10.5281/zenodo.11957846). The tables below summarise the data collection parameters for the experiment. General information Project Resource of Diffraction Images Newcastle (RODIN) Collection Site STOE, Darmstadt, Germany (measured by John Kollath) Sample Label 40mm Linked CCDC number 2366176 CSD Refcode TCYQME11 Instrument information Instrument Eulerian 4-circle diffractometer Instrument type STOE STADIVARI Instrument manufacturer STOE Detector photon-counting detector Detector type EIGER21MCDTE X-ray source AntonPaar_Cu X-ray source type None X-ray monochromator Graded multilayer mirror Experimental information Collection probe x-ray Radiation type CuK\a Wavelength (Å) 1.54186 Collection temperature (K) 150.0(2) Collection pressure Sample was collected at atmospheric pressure Crystal information Chemical name 7,7,8,8 -tetracyanoquinodimethanide Chemical formula C12 H4 N4 Crystal max size (mm) 0.12 Crystal mid size (mm) 0.08 Crystal min size (mm) 0.04 Crystal colour yellow Crystal habit block Sample preparation Re-crystallisation from solvent: Acetonitrile Software information Software for data collection X-Area Pilatus3_SV 1.31.175.0 (STOE 2021) File information Image folders .\xxx.xi Image format .xi Additional files X-AREA input files: ./40mm.x Crystal Images: None