Publication data for: "Electronic Structure of a Diiron Complex: A Multitechnique Experimental Study of [(dppf)Fe(CO)3]+/0"

Dataset

DOI

All primary data files and processed data of the journal article from all affiliated authors to reproduce all simulations and figures used in the main text and supporting information.

The data sets are sorted by the measurement technique with the raw data as given by the measurement software and the simulation/plotting/fitting files in the corresponding subfolder. All python .py and matlab .m files have relative paths and can be compiled as long as the original folder structure is remained. Some data are phased or baseline corrected but if so the raw data is also available and the treatment is depicted in the file name.

The files for MCD are in the way that the measurement with the magnetic field anti-parallel to the light beam is already subtracted from the measurement in parallel orientation.

Identifier
DOI	https://doi.org/10.18419/darus-1410
Related Identifier	IsCitedBy https://doi.org/10.1021/acs.inorgchem.0c03259
Metadata Access	https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/darus-1410

Provenance
Creator	Winkler, Mario
Publisher	DaRUS
Contributor	Winkler, Mario; van Slageren, Joris; Ringenberg, Mark; Schnierle, Marc; Ehrlich, Felix; Mehnert, Kim-Isabelle; Burkhardt, Lukas; Sheveleva, Alena; Bauer, Matthias; Tuna, Floriana
Publication Year	2021
Funding Reference	DFG 358283783 - SFB 1333
Rights	CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess	true
Contact	Winkler, Mario (Universität Stuttgart); van Slageren, Joris (Universität Stuttgart)

Representation
Resource Type	Dataset
Format	text/x-fixed-field; application/octet-stream; application/x-pkcs7-certificates; application/x-stata; text/plain; charset=US-ASCII; text/plain; text/x-python; text/x-matlab; application/rtf; image/png
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Version	1.0
Discipline	Chemistry; Natural Sciences