RODIN X-ray Diffraction Data 2366176
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下载链接：
https://zenodo.org/record/12568658
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资源简介：
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: https://doi.org/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 file contains X-ray diffraction images for 7,7,8,8-tetracyanoquinodimethanide using STOE instrumentation. 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.11489452) and Bruker instrumentation (10.5281/zenodo.12568659).
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
创建时间：
2024-10-16
