Data for: "Structurally Defined Ring-Opening and Insertion of Pinacolborane into Aluminium-Nitrogen Bonds of Sterically Demanding Dialkylaluminium Amides"

Dataset

Description

This dataset is linked to the epsrc DTP award EP/M508159 and epsrc funded ARCHIE-WeSt High Performance Computer award EP/K000586/1. It consists of 3 files:

1. NMR data (zip file)
2. X-ray crystallographic information file (zip file)
3. DFT calculations data - the optimised structures, vibrational frequencies and all related energy data (zip)

Note that specialist programs are required to view the raw data provided: the NMR data in file 1 requires a program such as Topspin or Mestrelab to view. The X-ray crystallographic information (file 2) requires a program such as Mercury or Diamond. The DFT calculation data in file 3 requires a program such as Gaussian 16 to view.

The paper has been published in the European Journal of Inorganic Chemistry.
Data embargo until 03/08/21
Date made available30 Oct 2020
PublisherUniversity of Strathclyde
Date of data production2018 - 2020

Contact

Access Dataset

  • NMR_data.zip

    File: multipart/x-zip, 48.2 MB

    Type: Dataset

    Licence: CC BY 4.0

    Embargo End Date: 3 Aug 2021

  • X_ray_Crystallographic_Data.zip

    File: multipart/x-zip, 429 KB

    Type: Dataset

    Licence: CC BY 4.0

    Embargo End Date: 3 Aug 2021

  • DFT_data.zip

    File: multipart/x-zip, 10.3 MB

    Type: Dataset

    Licence: CC BY 4.0

    Embargo End Date: 3 Aug 2021

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