Replication data of Buchmeiser group for: "Ligand Variations in Neutral and Cationic Molybdenum Alkylidyne NHC Catalysts"

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Groos, Jonas; Koy, Maximilian; Musso, Janis; Neuwirt, Michael; Pham, Thao; Hauser, Philipp Manuel; Frey, Wolfgang; Buchmeiser, Michael, 2023, "Replication data of Buchmeiser group for: "Ligand Variations in Neutral and Cationic Molybdenum Alkylidyne NHC Catalysts"", https://doi.org/10.18419/DARUS-3701, DaRUS, V1

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Description	All primary data files related to the publication. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Novel complexes were examined via nuclear magnetic resonance (NMR) spectroscopy and the spectra can be found in NMR folder. The NMR folder also contains NMR experiments mentioned in the paper and shown in the Supplementary Information. NMR Spectra are named according to the numbering in the publication. Crystal data (see related datasets) is deposited in the Cambridge Structural Database (CSD) of the Cambridge Crystallographic Data Centre (CCDC)
Subject	Chemistry
Keyword	Molybdenum, N‑Heterocyclic Carbene
Related Publication	Jonas Groos, Maximilian Koy, Janis Musso, Michael Neuwirt, Thao Pham, Philipp M. Hauser, Wolfgang Frey, and Michael R. Buchmeiser. Ligand Variations in Neutral and Cationic Molybdenum Alkylidyne NHC Catalysts. Organometallics, 41, 1167-1183 (2022).doi: 10.1021/acs.organomet.2c00080
Notes	The structure of data and the names of compounds are the same as in the main publication.
Data Generation	Analysis; Experiment
License/Data Use Agreement	CC BY 4.0

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	NMR 1.zip-1.zip ZIP Archive - 48.3 MB Published Oct 4, 2023 21 Downloads MD5: 3e98fbc71dac25b84ec90b6d8177f7bc	Preview "NMR 1.zip-1.zip" Access File File Access Public Download Options ZIP Archive Download Metadata Data File Citation EndNote XML RIS BibTeX
	NMR 2-zip-2.zip ZIP Archive - 28.3 MB Published Oct 4, 2023 20 Downloads MD5: 1ea8fff45ce39d22458563c981106f02	Preview "NMR 2-zip-2.zip" Access File File Access Public Download Options ZIP Archive Download Metadata Data File Citation EndNote XML RIS BibTeX
	NMR 3.zip-3.zip ZIP Archive - 27.2 MB Published Oct 4, 2023 21 Downloads MD5: 895b1f89a638eeb8c096bc37079a0d6f	Preview "NMR 3.zip-3.zip" Access File File Access Public Download Options ZIP Archive Download Metadata Data File Citation EndNote XML RIS BibTeX
	x-ray data.zip ZIP Archive - 2.2 MB Published Oct 4, 2023 22 Downloads MD5: b235ec4b5a7b05b10c2dbc7bc739d607	Preview "x-ray data.zip" Access File File Access Public Download Options ZIP Archive Download Metadata Data File Citation EndNote XML RIS BibTeX

Citation Metadata

Persistent Identifier	doi:10.18419/DARUS-3701
Publication Date	2023-10-04
Title	Replication data of Buchmeiser group for: "Ligand Variations in Neutral and Cationic Molybdenum Alkylidyne NHC Catalysts"
Author	Institut für Polymerchemie, Universität Stuttgart0000-0002-0327-3798 Institut für Polymerchemie, Universität Stuttgart0000-0002-6710-4619 Institut für Polymerchemie, Universität Stuttgart0000-0002-8714-4511 Institut für Polymerchemie, Universität Stuttgart0000-0002-1875-181X Pham, ThaoInstitut für Polymerchemie, Universität Stuttgart Institut für Polymerchemie, Universität Stuttgart0000-0003-0948-9247 Institut für Polymerchemie, Universität Stuttgart0000-0002-6522-4190 Institut für Polymerchemie, Universität Stuttgart0000-0001-6472-5156
Point of Contact	Use email button above to contact. Buchmeiser, Michael (Institut für Polymerchemie, Universität Stuttgart)
Description	All primary data files related to the publication. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Novel complexes were examined via nuclear magnetic resonance (NMR) spectroscopy and the spectra can be found in NMR folder. The NMR folder also contains NMR experiments mentioned in the paper and shown in the Supplementary Information. NMR Spectra are named according to the numbering in the publication. Crystal data (see related datasets) is deposited in the Cambridge Structural Database (CSD) of the Cambridge Crystallographic Data Centre (CCDC)
Subject	Chemistry
Keyword	Molybdenum http://data.loterre.fr/ark:/67375/37T-L0SBNFJX-G (Loterre Chemistry Vocabulary) N‑Heterocyclic Carbene https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:51369 (ChEBI)
Topic Classification	Organometallic Chemistry (Loterre Chemistry Vocabulary) https://id.loc.gov/authorities/subjects/sh86004134
Related Publication	Jonas Groos, Maximilian Koy, Janis Musso, Michael Neuwirt, Thao Pham, Philipp M. Hauser, Wolfgang Frey, and Michael R. Buchmeiser. Ligand Variations in Neutral and Cationic Molybdenum Alkylidyne NHC Catalysts. Organometallics, 41, 1167-1183 (2022). doi 10.1021/acs.organomet.2c00080 https://doi.org/10.1021/acs.organomet.2c00080
Notes	The structure of data and the names of compounds are the same as in the main publication.
Language	English
Project	Project B02 (Level 1)
Funding Information	DFG: 358283783 - SFB 1333
Depositor	Dongren, Wang
Deposit Date	2023-09-04
Data Type	experimental data
Related Dataset	Jonas Groos, Maximilian Koy, Janis Musso, Michael Neuwirt, Thao Pham, Philipp M. Hauser, Wolfgang Frey, Michael R. Buchmeiser CCDC 2149826: Experimental Crystal Structure Determination, 2022, DOI: 10.5517/ccdc.csd.cc2b527v(Crystal data of Mo14); Jonas Groos, Maximilian Koy, Janis Musso, Michael Neuwirt, Thao Pham, Philipp M. Hauser, Wolfgang Frey, Michael R. Buchmeiser CCDC 2149827: Experimental Crystal Structure Determination, 2022, DOI: 10.5517/ccdc.csd.cc2b528w(Crystal data of Mo19); Jonas Groos, Maximilian Koy, Janis Musso, Michael Neuwirt, Thao Pham, Philipp M. Hauser, Wolfgang Frey, Michael R. Buchmeiser CCDC 2149828: Experimental Crystal Structure Determination, 2022, DOI: 10.5517/ccdc.csd.cc2b529x(Crystal data of Mo26); Jonas Groos, Maximilian Koy, Janis Musso, Michael Neuwirt, Thao Pham, Philipp M. Hauser, Wolfgang Frey, Michael R. Buchmeiser CCDC 2149829: Experimental Crystal Structure Determination, 2022, DOI: 10.5517/ccdc.csd.cc2b52by(Crystal data of Mo29); Jonas Groos, Maximilian Koy, Janis Musso, Michael Neuwirt, Thao Pham, Philipp M. Hauser, Wolfgang Frey, Michael R. Buchmeiser CCDC 2149830: Experimental Crystal Structure Determination, 2022, DOI: 10.5517/ccdc.csd.cc2b52cz(Crystal data of Mo31)

Process Metadata

Software	MestReNova (to process NMR data)
Instruments	Bruker Avance III 400

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Data Generation	Analysis; Experiment

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