Data for: "Origin and Use of Hydroxyl Group Tolerance in Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Catalysts"

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Schowner, Roman; Elser, Iris; Benedikter, Mathis, 2021, "Data for: "Origin and Use of Hydroxyl Group Tolerance in Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Catalysts"", https://doi.org/10.18419/DARUS-1702, DaRUS, V1

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Description	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. Productivities in olefin metathesis reactions were examined via gas-chromatography / mass spectrometry (GC-MS) analysis and can be found in the GC-MS folder. Furthermore, the GC-MS folder contains an Excel-file in which the names of the data files are listed and assigned to table entries in the publication. However, the data set does not contain the complete GC-MS data. 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. All crystal data mentioned in the paper can be found in the related datasets. (2021-03-11)
Subject	Chemistry
Keyword	Metal Complex, Metathesis, Catalysis, Transition Metal, Molybdenum
Related Publication	R. Schowner, I. Elser, M. Benedikter, M. Momin, W. Frey, T. Schneck, L. Stöhr, M. R. Buchmeiser, Origin and Use of Hydroxyl Group Tolerance in Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Catalysts. Angew. Chem. Int. Ed. 2020, 59, 951.doi: 10.1002/anie.201913322
Notes	NMR spectra were processed with MestreNova. GC-MS data was processed with Agilent MassHunter.
License/Data Use Agreement	CC BY 4.0

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	14.zip GC-MS/ZIP Archive - 4.0 MB Published Apr 22, 2021 31 Downloads MD5: fa0f628f725f5a24be1437a7143a094c	Preview "GC-MS/14.zip" Access File File Access Public Download Options ZIP Archive Download Metadata Data File Citation EndNote XML RIS BibTeX
	3b.zip GC-MS/ZIP Archive - 4.4 MB Published Apr 22, 2021 35 Downloads MD5: e66ee30e724a5373b25203d8c94ca9b8	Preview "GC-MS/3b.zip" Access File File Access Public Download Options ZIP Archive Download Metadata Data File Citation EndNote XML RIS BibTeX
	3c.zip GC-MS/ZIP Archive - 4.1 MB Published Apr 22, 2021 22 Downloads MD5: fdcd7e8c6c6f555e82f339fad4c495ad	Preview "GC-MS/3c.zip" Access File File Access Public Download Options ZIP Archive Download Metadata Data File Citation EndNote XML RIS BibTeX
	3d.zip GC-MS/ZIP Archive - 4.1 MB Published Apr 22, 2021 31 Downloads MD5: ae057fc4a2c9dda4d0838b7d0d67b916	Preview "GC-MS/3d.zip" Access File File Access Public Download Options ZIP Archive Download Metadata Data File Citation EndNote XML RIS BibTeX
	4b.zip GC-MS/ZIP Archive - 4.6 MB Published Apr 22, 2021 38 Downloads MD5: 40f636b2f73199587289e60fdac5e95d	Preview "GC-MS/4b.zip" Access File File Access Public Download Options ZIP Archive Download Metadata Data File Citation EndNote XML RIS BibTeX
	4c.zip GC-MS/ZIP Archive - 4.3 MB Published Apr 22, 2021 25 Downloads MD5: ce080fc2f5a70d33e9ada500119e6b22	Preview "GC-MS/4c.zip" Access File File Access Public Download Options ZIP Archive Download Metadata Data File Citation EndNote XML RIS BibTeX
	4D.zip GC-MS/ZIP Archive - 4.8 MB Published Apr 22, 2021 33 Downloads MD5: a893e1fd1f65391742b82f2a2b9b63c7	Preview "GC-MS/4D.zip" Access File File Access Public Download Options ZIP Archive Download Metadata Data File Citation EndNote XML RIS BibTeX
	sample names.xlsx GC-MS/MS Excel Spreadsheet - 11.5 KB Published Apr 22, 2021 78 Downloads MD5: 6716af0333e83b3877b148d696fd94fc	Access File File Access Public Download Options MS Excel Spreadsheet Download Metadata Data File Citation EndNote XML RIS BibTeX
	pure compounds.zip NMR/ZIP Archive - 71.5 MB Published Apr 22, 2021 24 Downloads MD5: dbe88d44a03654f373e0d08f4a28ac32	Preview "NMR/pure compounds.zip" Access File File Access Public Download Options ZIP Archive Download Metadata Data File Citation EndNote XML RIS BibTeX
	stability tests.zip NMR/ZIP Archive - 25.8 MB Published Apr 22, 2021 35 Downloads MD5: 00d9073460f87be44df30831102f87da	Preview "NMR/stability tests.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-1702
Publication Date	2021-04-22
Title	Data for: "Origin and Use of Hydroxyl Group Tolerance in Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Catalysts"
Author	https://ror.org/04vnq7t770000-0001-5711-6846 https://ror.org/04vnq7t770000-0002-7569-9560 https://ror.org/04vnq7t770000-0001-5711-6846
Point of Contact	Use email button above to contact. Buchmeiser, Michael (Universität Stuttgart)
Description	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. Productivities in olefin metathesis reactions were examined via gas-chromatography / mass spectrometry (GC-MS) analysis and can be found in the GC-MS folder. Furthermore, the GC-MS folder contains an Excel-file in which the names of the data files are listed and assigned to table entries in the publication. However, the data set does not contain the complete GC-MS data. 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. All crystal data mentioned in the paper can be found in the related datasets. (2021-03-11)
Subject	Chemistry
Keyword	Metal Complex http://data.loterre.fr/ark:/67375/37T-QVWQRVW5-R (Loterre Chemistry Vocabulary) Metathesis http://data.loterre.fr/ark:/67375/37T-LM4FFCJR-7 (Loterre Chemistry Vocabulary) Catalysis http://data.loterre.fr/ark:/67375/37T-G0QWDG6R-L (Loterre Chemistry Vocabulary) Transition Metal http://data.loterre.fr/ark:/67375/37T-VF83ZJ5G-V (Loterre Chemistry Vocabulary) Molybdenum http://data.loterre.fr/ark:/67375/37T-L0SBNFJX-G (Loterre Chemistry Vocabulary)
Topic Classification	Inorganic Chemistry (Loterre Chemistry Vocabulary) http://data.loterre.fr/ark:/67375/37T-ZQ1R7NCC-8
Related Publication	R. Schowner, I. Elser, M. Benedikter, M. Momin, W. Frey, T. Schneck, L. Stöhr, M. R. Buchmeiser, Origin and Use of Hydroxyl Group Tolerance in Cationic Molybdenum Imido Alkylidene N‐Heterocyclic Carbene Catalysts. Angew. Chem. Int. Ed. 2020, 59, 951. doi 10.1002/anie.201913322 https://doi.org/10.1002/anie.201913322
Notes	NMR spectra were processed with MestreNova. GC-MS data was processed with Agilent MassHunter.
Project	Project A1 (Level 1)
Funding Information	DFG: 358283783 - SFB 1333
Depositor	Benedikter, Mathis
Deposit Date	2021-03-11
Related Dataset	Crystal data for 3a: Roman Schowner, Iris Elser, Mathis Benedikter, Mohasin Momin, Wolfgang Frey, Tanja Schneck, Laura Stöhr, Michael R. Buchmeiser CCDC 1946042: Experimental Crystal Structure Determination, 2019, DOI: DOI: 10.5517/ccdc.csd.cc23b0k1; Crystal data for 4a*H2O: Roman Schowner, Iris Elser, Mathis Benedikter, Mohasin Momin, Wolfgang Frey, Tanja Schneck, Laura Stöhr, Michael R. Buchmeiser CCDC 1946041: Experimental Crystal Structure Determination, 2019, DOI:DOI: 10.5517/ccdc.csd.cc23b0j0; Crystal data for 4d: Roman Schowner, Iris Elser, Mathis Benedikter, Mohasin Momin, Wolfgang Frey, Tanja Schneck, Laura Stöhr, Michael R. Buchmeiser CCDC 1959263: Experimental Crystal Structure Determination, 2019, DOI: DOI: 10.5517/ccdc.csd.cc23rs1q; Crystal data for 5d: Roman Schowner, Iris Elser, Mathis Benedikter, Mohasin Momin, Wolfgang Frey, Tanja Schneck, Laura Stöhr, Michael R. Buchmeiser CCDC 1959261: Experimental Crystal Structure Determination, 2019, DOI: DOI: 10.5517/ccdc.csd.cc23rrzm; Crystal data for 5d-MeCN: Roman Schowner, Iris Elser, Mathis Benedikter, Mohasin Momin, Wolfgang Frey, Tanja Schneck, Laura Stöhr, Michael R. Buchmeiser CCDC 1959260: Experimental Crystal Structure Determination, 2019, DOI: DOI: 10.5517/ccdc.csd.cc23rryl; Crystal data for 6: Roman Schowner, Iris Elser, Mathis Benedikter, Mohasin Momin, Wolfgang Frey, Tanja Schneck, Laura Stöhr, Michael R. Buchmeiser CCDC 1946043: Experimental Crystal Structure Determination, 2019, DOI: DOI: 10.5517/ccdc.csd.cc23b0l2; Crystal data for 15b: Roman Schowner, Iris Elser, Mathis Benedikter, Mohasin Momin, Wolfgang Frey, Tanja Schneck, Laura Stöhr, Michael R. Buchmeiser CCDC 1959262: Experimental Crystal Structure Determination, 2019, DOI: DOI: 10.5517/ccdc.csd.cc23rs0p

Process Metadata

Processing Methods	GC-MS (gas-chromatography / mass spectrometry) NMR (nuclear magnetic resonance spectroscopy)
Software	MestReNova (to process NMR data) Version: 12.0.0 (https://mestrelab.com/download/mnova/) proprietary Agilent Mass Hunter Version: MSD ChemStation F.01.03.2357 proprietary
Instruments	Bruker Avance 400 (400 MHz NMR Spectrometer)

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