cff-version: 1.2.0
abstract: "<p> This dataset contains:</p>
<p>- raw NMR data for new compounds used in the publication</p>
<p>- comutational data for calculations presented in the published work</p>
<p>- raw analytical data for catalysis run characterization</p>
<p>- crysallographic data for new complexes</p>"
authors:
  - family-names: Yang
    given-names: Wenjun
    orcid: "https://orcid.org/0000-0002-4410-6398"
  - family-names: Kalavalapalli
    given-names: Tejas Y.
  - family-names: Krieger
    given-names: Annika
M.
  - family-names: Khvorost
    given-names: Taras
A.
  - family-names: Chernyshov
    given-names: Ivan Yu.
  - family-names: Weber
    given-names: Manuela
    orcid: "https://orcid.org/0000-0002-2767-8933"
  - family-names: Uslamin
    given-names: Evgeny A.
  - family-names: Pidko
    given-names: Evgeny A.
  - family-names: Filonenko
    given-names: Georgy
    orcid: "https://orcid.org/0000-0001-8025-9968"
title: "Dataset for Basic Promotors Impact Thermodynamics and Catalyst Speciation in Homogeneous Carbonyl Hydrogenation"
keywords:
version: 1
identifiers:
  - type: doi
    value: 10.4121/19323839.v1
license: CC BY 4.0
date-released: 2022-04-29