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Supporting data for the journal article "Porous isoreticular non-metal organic frameworks"

Supporting data for the journal article "Porous isoreticular non-metal organic frameworks"
Supporting data for the journal article "Porous isoreticular non-metal organic frameworks"
This dataset supports the publication: by Megan O’Shaughnessy et al "Porous isoreticular non-metal organic frameworks" (2024) Nature, https://doi.org/10.1038/s41586-024-07353-9. The attached zip file contains computer-generated crystal structures and structural property data files for TAPM.Cl, TAPM.Br, TT.Br, TAPT.Cl and TTBT.Cl which appear in the journal article "Porous isoreticular non-metal organic frameworks". The data is accessible via CC BY license
crystal structure prediction, porous organic salts, ammonium halides
University of Southampton
Glover, Joseph
27469618-4dd0-44c1-8267-ff955bce66b7
Hafizi, Roohollah
bdf707e3-cfc0-4c9b-8daa-d1acc5123632
Day, Graeme
e3be79ba-ad12-4461-b735-74d5c4355636
Glover, Joseph
27469618-4dd0-44c1-8267-ff955bce66b7
Hafizi, Roohollah
bdf707e3-cfc0-4c9b-8daa-d1acc5123632
Day, Graeme
e3be79ba-ad12-4461-b735-74d5c4355636

Glover, Joseph, Hafizi, Roohollah and Day, Graeme (2024) Supporting data for the journal article "Porous isoreticular non-metal organic frameworks". University of Southampton doi:10.5258/SOTON/D2857 [Dataset]

Record type: Dataset

Abstract

This dataset supports the publication: by Megan O’Shaughnessy et al "Porous isoreticular non-metal organic frameworks" (2024) Nature, https://doi.org/10.1038/s41586-024-07353-9. The attached zip file contains computer-generated crystal structures and structural property data files for TAPM.Cl, TAPM.Br, TT.Br, TAPT.Cl and TTBT.Cl which appear in the journal article "Porous isoreticular non-metal organic frameworks". The data is accessible via CC BY license

Text
D2857- README.txt - Text
Available under License Creative Commons Attribution.
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Archive
supporting_files.zip - Dataset
Available under License Creative Commons Attribution.
Download (146MB)

More information

Published date: 2024
Keywords: crystal structure prediction, porous organic salts, ammonium halides

Identifiers

Local EPrints ID: 488851
URI: http://eprints.soton.ac.uk/id/eprint/488851
DOI: doi:10.5258/SOTON/D2857
PURE UUID: d11474e7-adf8-43e0-b9f3-6dc85911a7d3
ORCID for Joseph Glover: ORCID iD orcid.org/0000-0002-5281-6664
ORCID for Roohollah Hafizi: ORCID iD orcid.org/0000-0001-6513-4446
ORCID for Graeme Day: ORCID iD orcid.org/0000-0001-8396-2771

Catalogue record

Date deposited: 08 Apr 2024 16:50
Last modified: 10 Apr 2024 02:04

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Contributors

Creator: Joseph Glover ORCID iD
Creator: Roohollah Hafizi ORCID iD
Creator: Graeme Day ORCID iD

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