RODIN X-ray Diffraction Data 2366177

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 Hexacarbonyl tungsten collected using STOE instrumentation. A final structure solution for this data can be found in the CSD.

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 synchrotron radiation at Diamond Light Source (10.5281/zenodo.11949828).

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

KOVSOD06

Linked CCDC number

2366177

CSD Refcode

KOVSOD11

Instrument information

Instrument

Eulerian 4-circle diffractometer

Instrument type

STOE STADIVARI

Instrument manufacturer

STOE

Detector

photon-counting detector

Detector type

EIGER21MCDTE

X-ray source

Anton_Mo

X-ray source type

None

X-ray monochromator

Graded multilayer mirror

Experimental information

Collection probe

x-ray

Radiation type

MoK\a

Wavelength (Å)

0.71073

Collection temperature (K)

150.0(2)

Collection pressure

Sample was collected at atmospheric pressure

Crystal information

Chemical name

Hexacarbonyl tungsten

Chemical formula

C6 O6 W

Crystal max size (mm)

0.12

Crystal mid size (mm)

0.103

Crystal min size (mm)

0.08

Crystal colour

colourless

Crystal habit

block

Sample preparation

Re-crystallisation from solvent: Hexane

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:

./KOVSOD06.x 

Crystal Images:

None