Replication data of Buchmeiser group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"

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Hauser, Philipp Manuel; Frey, Wolfgang; Buchmeiser, Michael, 2021, "Replication data of Buchmeiser group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/darus-2297, DaRUS, V1

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Description	The synthesis of neutral tungsten sulfido alkylidene complexes as well as cationic tungsten alkylidene NHC complexes is outlined. The first tungsten sulfido alkylidene complexes for olefin metathesis reactions were synthesized. Alkylidyne complexes were used as precursors and were reacted with hydrogen sulfide to protonate the alkylidyne ligand. Data from collaborating groups can be found in a separate data set. The data is structured according to figures and schemes in the research article and contains the following data types: NMR Spectra and integrals of GC-MS measurements. GC-MS data was evaluated with MassHunter software by agilent. NMR data was evaluated with MestreNova. Crystal data (see related datasets) is deposited in the Cambridge Structural Database (CSD) of the Cambridge Crystallographic Data Centre (CCDC). (2021-12-14)
Subject	Chemistry
Keyword	Tungsten, Alkylidene Group, Sulfido Group, N-Heterocyclic Carbene, Hydrogen Sulfide
Related Publication	Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, and Michael R. Buchmeiser. Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes. Organometallics 2021 40 (23), 4026-4034. doi: 10.1021/acs.organomet.1c00577
Notes	Data is structured in NMR measurements (Spectra of new compounds and NMR experiments (W02+BCF)). And GC-MS measurements of the metathesis reactions. (Further information can be found in the readme file)
License/Data Use Agreement	CC BY 4.0

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	GC-MS Daten.zip ZIP Archive - 12.6 KB Published Dec 17, 2021 14 Downloads MD5: 54876d8c8664c34d807505cfe4a6403e	Preview "GC-MS Daten.zip" Access File File Access Public Download Options ZIP Archive Download Metadata Data File Citation EndNote XML RIS BibTeX
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Citation Metadata

Persistent Identifier	doi:10.18419/darus-2297
Publication Date	2021-12-17
Title	Replication data of Buchmeiser group for: "Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"
Author	Hauser, Philipp Manuel (University of Stuttgart) - ORCID: 0000-0003-0948-9247 Frey, Wolfgang (University of Stuttgart) - ORCID: 0000-0002-6522-4190 Buchmeiser, Michael (University of Stuttgart) - ORCID: 0000-0001-6472-5156
Point of Contact	Use email button above to contact. Buchmeiser, Michael (University of Stuttgart)
Description	The synthesis of neutral tungsten sulfido alkylidene complexes as well as cationic tungsten alkylidene NHC complexes is outlined. The first tungsten sulfido alkylidene complexes for olefin metathesis reactions were synthesized. Alkylidyne complexes were used as precursors and were reacted with hydrogen sulfide to protonate the alkylidyne ligand. Data from collaborating groups can be found in a separate data set. The data is structured according to figures and schemes in the research article and contains the following data types: NMR Spectra and integrals of GC-MS measurements. GC-MS data was evaluated with MassHunter software by agilent. NMR data was evaluated with MestreNova. Crystal data (see related datasets) is deposited in the Cambridge Structural Database (CSD) of the Cambridge Crystallographic Data Centre (CCDC). (2021-12-14)
Subject	Chemistry
Keyword	Tungsten https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27998 (ChEBI) Alkylidene Group https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:33333 (ChEBI) Sulfido Group https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:29831 (ChEBI) N-Heterocyclic Carbene https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:51369 (ChEBI) Hydrogen Sulfide https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16136 (ChEBI)
Topic Classification	Inorganic Chemistry (Loterre Chemistry Vocabulary) https://www.loterre.fr/skosmos/37T/en/page/-ZQ1R7NCC-8 Metathesis (Loterre Chemistry Vocabulary) https://www.loterre.fr/skosmos/37T/fr/page/-LM4FFCJR-7?clang=en
Related Publication	Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, and Michael R. Buchmeiser. Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes. Organometallics 2021 40 (23), 4026-4034. doi: 10.1021/acs.organomet.1c00577 https://doi.org/10.1021/acs.organomet.1c00577
Notes	Data is structured in NMR measurements (Spectra of new compounds and NMR experiments (W02+BCF)). And GC-MS measurements of the metathesis reactions. (Further information can be found in the readme file)
Language	English
Funding Information	DFG: 358283783 - SFB 1333
Project	Project B2 (Level 1)
Depositor	Philipp Hauser
Deposit Date	2021
Data Type	experimental data (NMR and GC-MS measurements)
Related Dataset	Crystal data for complex W01: Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, Michael R. Buchmeiser CCDC 2113827: Experimental Crystal Structure Determination, 2021, DOI: 10.5517/ccdc.csd.cc28ylzt; Crystal data for complex W02: Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, Michael R. Buchmeiser CCDC 2113823: Experimental Crystal Structure Determination, 2021, DOI: 10.5517/ccdc.csd.cc28ylvp; Crystal data for complex W06: Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, Michael R. Buchmeiser CCDC 2113824: Experimental Crystal Structure Determination, 2021, DOI: 10.5517/ccdc.csd.cc28ylwq; Crystal data for complex W07: Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, Michael R. Buchmeiser CCDC 2113825: Experimental Crystal Structure Determination, 2021, DOI: 10.5517/ccdc.csd.cc28ylxr; Crystal data for complex W08: Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, Michael R. Buchmeiser CCDC 2113826: Experimental Crystal Structure Determination, 2021, DOI: 10.5517/ccdc.csd.cc28ylys; Crystal data for complex W10: Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, Michael R. Buchmeiser CCDC 2113828: Experimental Crystal Structure Determination, 2021, DOI: 10.5517/ccdc.csd.cc28ym0w; Crystal data for complex 2: Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, Michael R. Buchmeiser CCDC 2113822: Experimental Crystal Structure Determination, 2021, DOI: 10.5517/ccdc.csd.cc28yltn

Process Metadata

Processing Methods	NMR (nuclear magnetic resonance) GC-MS (gas chromatography - mass spectrometry)
Software	MestReNova Version: 9.0.1.13254 MassHunter Version: B.08.00
Instruments	Bruker Avance III 400 (400 MHz NMR Spectrometer) , Software: MestReNova Agilent Technologies 5977B MSD (GC-MS system) , Software: MassHunter

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