Pd(NHC)(μ-Cl)Cl]2: Versatile and Highly Reactive Complexes for Cross-Coupling Reactions that Avoid Formation of Inactive Pd(I) Off-Cycle Products

DOI

Data related to the figures, diagrams and tables of the published article in 'iScience', 2020, 23 (8), p.101377. The archives correspond on the one hand, to a document with the complementary information of the transparent methods of figures S1-S113, schemes S1-S8 and tables S1 and S2 of the article published in 'iScience', 2020, 23 (8), p.101377 and on the other hand, a file with cartesian coordinate data and energies related to "Figure 4. DFT-Optimized Pathway (Relative Energies to Pd (0) in kcal / mol) for the Activation of Catalysts 6, 11), and 12 6 = IPr, 11 = SIPr, 12 = IPr *, [Pd (NHC) (m-Cl) Cl] 2" from the same published article mentioned above

Dades relacionades amb les figures, esquemes i taules de l'article publicat a 'iScience', 2020, 23 (8), p.101377. Els arxius corresponen d'una banda, a un document amb la informació complementària dels mètodes transparents de les figures S1-S113, esquemes S1-S8 i taules S1 i S2 de l'article publicat a 'iScience', 2020, 23 (8), p.101377 i d'altra banda, un fitxer amb dades de coordenades cartesianes i energies relacionades amb "Figure 4. DFT-Optimized Pathway (Relative Energies to Pd (0) in kcal / mol) for the Activation of Catalysts 6, 11), and 12 6 = IPr, 11 = SIPr, 12 = IPr *, [Pd (NHC) (m-Cl) Cl] 2" del mateix article publicat abans esmentat

Identifier
DOI https://doi.org/10.34810/data643
Metadata Access https://dataverse.csuc.cat/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.34810/data643
Provenance
Creator Zhou, Tongliang; Ma, Siyue; Nahra, Fady ORCID logo; Obled, Alan M.C.; Poater Teixidor, Albert ORCID logo; Cavallo, Luigi (ORCID: 0000-0002-1398-338X); Cazin, Catherine S. J. ORCID logo; Nolan, Steven P. ORCID logo; Szostak, Michal
Publisher CORA.Repositori de Dades de Recerca
Publication Year 2023
Funding Reference Agencia Estatal de Investigación PGC2018-097722-B-I00
Rights CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess true
Representation
Resource Type Compiled data; Dataset
Format text/tab-separated-values; text/plain; application/pdf
Size 416578; 2533; 6161611
Version 1.1
Discipline Chemistry; Natural Sciences