{"id":34367,"identifier":"darus-1181","persistentUrl":"https://doi.org/10.18419/darus-1181","protocol":"doi","authority":"10.18419","publisher":"DaRUS","publicationDate":"2021-07-05","storageIdentifier":"s3://10.18419/darus-1181","datasetVersion":{"id":764,"datasetId":34367,"datasetPersistentId":"doi:10.18419/darus-1181","storageIdentifier":"s3://10.18419/darus-1181","versionNumber":1,"versionMinorNumber":0,"versionState":"RELEASED","lastUpdateTime":"2022-08-25T09:43:53Z","releaseTime":"2021-07-05T11:53:38Z","createTime":"2020-12-23T12:57:21Z","publicationDate":"2021-07-05","citationDate":"2021-07-05","license":{"name":"CC BY 4.0","uri":"http://creativecommons.org/licenses/by/4.0","iconUri":"https://licensebuttons.net/l/by/4.0/88x31.png"},"fileAccessRequest":false,"metadataBlocks":{"citation":{"displayName":"Citation Metadata","name":"citation","fields":[{"typeName":"title","multiple":false,"typeClass":"primitive","value":"Data for [(.eta.6-Cymene)(3-(pyrid-2-yl)-1,2,4,5-tetrazine)chlororuthenium(II)]+, Redox Noninnocence and Dienophile Addition to Coordinated Tetrazine"},{"typeName":"author","multiple":true,"typeClass":"compound","value":[{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Schnierle, Marc"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Universität Stuttgart"},"authorIdentifierScheme":{"typeName":"authorIdentifierScheme","multiple":false,"typeClass":"controlledVocabulary","value":"ORCID"},"authorIdentifier":{"typeName":"authorIdentifier","multiple":false,"typeClass":"primitive","value":"0000-0002-1617-8706"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Leimkühler, Marie"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Universität Stuttgart"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Ringenberg, Mark"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Universität Stuttgart"},"authorIdentifierScheme":{"typeName":"authorIdentifierScheme","multiple":false,"typeClass":"controlledVocabulary","value":"ORCID"},"authorIdentifier":{"typeName":"authorIdentifier","multiple":false,"typeClass":"primitive","value":"0000-0001-7585-5757"}}]},{"typeName":"datasetContact","multiple":true,"typeClass":"compound","value":[{"datasetContactName":{"typeName":"datasetContactName","multiple":false,"typeClass":"primitive","value":"Ringenberg, Mark"},"datasetContactAffiliation":{"typeName":"datasetContactAffiliation","multiple":false,"typeClass":"primitive","value":"Universität Stuttgart"}}]},{"typeName":"dsDescription","multiple":true,"typeClass":"compound","value":[{"dsDescriptionValue":{"typeName":"dsDescriptionValue","multiple":false,"typeClass":"primitive","value":"The bidentate ligand 3-(pyrid-2-yl)-1,2,4,5-tetrazines (TzPy) coordinates in the complex [CyRuCl(TzPy)]PF6 [1]+ (Cy =.eta.6-p-cymene). The DFT data, NMR, Kinetics, electrochemical and spectroelectrochemistry data are provided."},"dsDescriptionDate":{"typeName":"dsDescriptionDate","multiple":false,"typeClass":"primitive","value":"2020"}}]},{"typeName":"subject","multiple":true,"typeClass":"controlledVocabulary","value":["Chemistry"]},{"typeName":"keyword","multiple":true,"typeClass":"compound","value":[{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"Ferrocene"},"keywordVocabulary":{"typeName":"keywordVocabulary","multiple":false,"typeClass":"primitive","value":"CHEBI"},"keywordVocabularyURI":{"typeName":"keywordVocabularyURI","multiple":false,"typeClass":"primitive","value":"http://purl.obolibrary.org/obo/CHEBI_30672"}},{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"Kinetics"},"keywordVocabulary":{"typeName":"keywordVocabulary","multiple":false,"typeClass":"primitive","value":"OMIT"},"keywordVocabularyURI":{"typeName":"keywordVocabularyURI","multiple":false,"typeClass":"primitive","value":"http://purl.obolibrary.org/obo/OMIT_0008804"}},{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"Electrochemistry"},"keywordVocabulary":{"typeName":"keywordVocabulary","multiple":false,"typeClass":"primitive","value":"OMIT"},"keywordVocabularyURI":{"typeName":"keywordVocabularyURI","multiple":false,"typeClass":"primitive","value":"http://purl.obolibrary.org/obo/OMIT_0005812"}},{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"Spectroelectrochemistry"},"keywordVocabulary":{"typeName":"keywordVocabulary","multiple":false,"typeClass":"primitive","value":"Loterre Chemistry Vocabulary"},"keywordVocabularyURI":{"typeName":"keywordVocabularyURI","multiple":false,"typeClass":"primitive","value":"http://data.loterre.fr/ark:/67375/37T-FR9S59VD-Z"}},{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"DFT"}}]},{"typeName":"publication","multiple":true,"typeClass":"compound","value":[{"publicationCitation":{"typeName":"publicationCitation","multiple":false,"typeClass":"primitive","value":"Inorganic Chemistry: year 2021, Vol. 60, Iss. 9, Pages 6367-6374"},"publicationIDType":{"typeName":"publicationIDType","multiple":false,"typeClass":"controlledVocabulary","value":"doi"},"publicationIDNumber":{"typeName":"publicationIDNumber","multiple":false,"typeClass":"primitive","value":"10.1021/acs.inorgchem.1c00094"},"publicationURL":{"typeName":"publicationURL","multiple":false,"typeClass":"primitive","value":"https://doi.org/10.1021/acs.inorgchem.1c00094"}}]},{"typeName":"notesText","multiple":false,"typeClass":"primitive","value":"SEC - Spectroelectrochemistry
\nEPR - Electron Paramagnetic Resonance
\nCV - Cyclic voltammetry
\nNMR - Nuclear magnetic resonance
\nDCM or CH2Cl2 - dicholormethane
\n
\nFc - ferrocenyl
\n[1] - title compound"},{"typeName":"grantNumber","multiple":true,"typeClass":"compound","value":[{"grantNumberAgency":{"typeName":"grantNumberAgency","multiple":false,"typeClass":"primitive","value":"DFG"},"grantNumberValue":{"typeName":"grantNumberValue","multiple":false,"typeClass":"primitive","value":"358283783 - SFB 1333"}}]},{"typeName":"project","multiple":true,"typeClass":"compound","value":[{"projectName":{"typeName":"projectName","multiple":false,"typeClass":"primitive","value":"Project C2"},"projectLevel":{"typeName":"projectLevel","multiple":false,"typeClass":"primitive","value":"1"}}]},{"typeName":"depositor","multiple":false,"typeClass":"primitive","value":"Ringenberg, Mark"},{"typeName":"dateOfDeposit","multiple":false,"typeClass":"primitive","value":"2020-12-23"}]}},"files":[{"description":"DFT output files","label":"DFT-DATA.zip","restricted":false,"directoryLabel":"CyRu-DaRUS-DATA","version":1,"datasetVersionId":764,"dataFile":{"id":65039,"persistentId":"doi:10.18419/darus-1181/10","pidURL":"https://doi.org/10.18419/darus-1181/10","filename":"DFT-DATA.zip","contentType":"application/zip","filesize":1890603886,"description":"DFT output files","storageIdentifier":"s3://fokus-dv-prod-1:17a67b71250-47fcfaf775c9","rootDataFileId":-1,"md5":"0dd25786f782f1608b1eab25a9f61058","checksum":{"type":"MD5","value":"0dd25786f782f1608b1eab25a9f61058"},"creationDate":"2021-07-02"}},{"description":"Cyclic Voltammograms and raw data","label":"Electrochemistry.zip","restricted":false,"directoryLabel":"CyRu-DaRUS-DATA","version":2,"datasetVersionId":764,"dataFile":{"id":65036,"persistentId":"doi:10.18419/darus-1181/7","pidURL":"https://doi.org/10.18419/darus-1181/7","filename":"Electrochemistry.zip","contentType":"application/zip","filesize":362162,"description":"Cyclic Voltammograms and raw data","storageIdentifier":"s3://fokus-dv-prod-1:17a67b6becb-5d9b1b9e47b0","rootDataFileId":-1,"md5":"2449231f62b88db842b676177c19c8a9","checksum":{"type":"MD5","value":"2449231f62b88db842b676177c19c8a9"},"creationDate":"2021-07-02"}},{"description":"Raw kinetics data for the addition of vinylferrocene and ethynylferrocene to the titular ruthenium compound","label":"Kinetics.zip","restricted":false,"directoryLabel":"CyRu-DaRUS-DATA","version":2,"datasetVersionId":764,"dataFile":{"id":65038,"persistentId":"doi:10.18419/darus-1181/9","pidURL":"https://doi.org/10.18419/darus-1181/9","filename":"Kinetics.zip","contentType":"application/zip","filesize":4759106,"description":"Raw kinetics data for the addition of vinylferrocene and ethynylferrocene to the titular ruthenium compound","storageIdentifier":"s3://fokus-dv-prod-1:17a67b6bf15-aa0a6f678195","rootDataFileId":-1,"md5":"746747e588740e52c64bb2de9a70302b","checksum":{"type":"MD5","value":"746747e588740e52c64bb2de9a70302b"},"creationDate":"2021-07-02"}},{"description":"NMR spectral data for reported complexes CyRu(L) ","label":"NMR-data.zip","restricted":false,"directoryLabel":"CyRu-DaRUS-DATA","version":1,"datasetVersionId":764,"dataFile":{"id":65035,"persistentId":"doi:10.18419/darus-1181/6","pidURL":"https://doi.org/10.18419/darus-1181/6","filename":"NMR-data.zip","contentType":"application/zip","filesize":1219159,"description":"NMR spectral data for reported complexes CyRu(L) ","storageIdentifier":"s3://fokus-dv-prod-1:17a67b76a4d-09d0d7e1951a","rootDataFileId":-1,"md5":"7b3489587115efa451214b445f01af0e","checksum":{"type":"MD5","value":"7b3489587115efa451214b445f01af0e"},"creationDate":"2021-07-02"}},{"description":"Raw data and plot of electrochemically induced absorption spectral changes","label":"Spectroelectrochemistry.zip","restricted":false,"directoryLabel":"CyRu-DaRUS-DATA","version":2,"datasetVersionId":764,"dataFile":{"id":65037,"persistentId":"doi:10.18419/darus-1181/8","pidURL":"https://doi.org/10.18419/darus-1181/8","filename":"Spectroelectrochemistry.zip","contentType":"application/zip","filesize":773962,"description":"Raw data and plot of electrochemically induced absorption spectral changes","storageIdentifier":"s3://fokus-dv-prod-1:17a67b6beb2-defc086508da","rootDataFileId":-1,"md5":"8e1016bbcf6db29994390679c0eede06","checksum":{"type":"MD5","value":"8e1016bbcf6db29994390679c0eede06"},"creationDate":"2021-07-02"}}],"citation":"Schnierle, Marc; Leimkühler, Marie; Ringenberg, Mark, 2021, \"Data for [(.eta.6-Cymene)(3-(pyrid-2-yl)-1,2,4,5-tetrazine)chlororuthenium(II)]+, Redox Noninnocence and Dienophile Addition to Coordinated Tetrazine\", https://doi.org/10.18419/darus-1181, DaRUS, V1"}}