{"id":12600,"identifier":"CONCORDA/K1VCIW","persistentUrl":"https://hdl.handle.net/21.15109/CONCORDA/K1VCIW","protocol":"hdl","authority":"21.15109","publisher":"ARP","publicationDate":"2023-09-28","storageIdentifier":"s3-sztaki://21.15109/CONCORDA/K1VCIW","metadataLanguage":"en","datasetVersion":{"id":2234,"datasetId":12600,"datasetPersistentId":"hdl:21.15109/CONCORDA/K1VCIW","storageIdentifier":"s3-sztaki://21.15109/CONCORDA/K1VCIW","versionNumber":1,"versionMinorNumber":0,"versionState":"RELEASED","lastUpdateTime":"2023-09-28T06:46:39Z","releaseTime":"2023-09-28T06:46:39Z","createTime":"2023-09-25T12:21:04Z","publicationDate":"2023-09-28","citationDate":"2023-09-28","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":"Recognition-Control and Host–Guest Interactions in High-Symmetry Cocrystals of Fullerenes with Cubane and Mesitylene"},{"typeName":"author","multiple":true,"typeClass":"compound","value":[{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Bortel, Gábor"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Wigner Research Centre for Physics"},"authorIdentifierScheme":{"typeName":"authorIdentifierScheme","multiple":false,"typeClass":"controlledVocabulary","value":"ORCID"},"authorIdentifier":{"typeName":"authorIdentifier","multiple":false,"typeClass":"primitive","value":"0000-0002-6290-4377"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Kováts, Éva"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Wigner Research Centre for Physics"},"authorIdentifierScheme":{"typeName":"authorIdentifierScheme","multiple":false,"typeClass":"controlledVocabulary","value":"ORCID"},"authorIdentifier":{"typeName":"authorIdentifier","multiple":false,"typeClass":"primitive","value":"0000-0002-8358-857X"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Földes, Dávid"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Wigner Research Centre for Physics"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Jakab, Emma"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Institute of Materials and Environmental Chemistry, Research Centre for Natural Sciences"},"authorIdentifierScheme":{"typeName":"authorIdentifierScheme","multiple":false,"typeClass":"controlledVocabulary","value":"ORCID"},"authorIdentifier":{"typeName":"authorIdentifier","multiple":false,"typeClass":"primitive","value":"0000-0002-1642-3265"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Durkó, Gábor"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Department of Organic Chemistry, Eötvös Loránd University"}},{"authorName":{"typeName":"authorName","multiple":false,"typeClass":"primitive","value":"Pekker, Sándor"},"authorAffiliation":{"typeName":"authorAffiliation","multiple":false,"typeClass":"primitive","value":"Wigner Research Centre for Physics"}}]},{"typeName":"datasetContact","multiple":true,"typeClass":"compound","value":[{"datasetContactName":{"typeName":"datasetContactName","multiple":false,"typeClass":"primitive","value":"Bortel, Gábor"},"datasetContactAffiliation":{"typeName":"datasetContactAffiliation","multiple":false,"typeClass":"primitive","value":"Wigner Research Centre for Physics"},"datasetContactEmail":{"typeName":"datasetContactEmail","multiple":false,"typeClass":"primitive","value":"bortel.gabor@wigner.hu"}}]},{"typeName":"dsDescription","multiple":true,"typeClass":"compound","value":[{"dsDescriptionValue":{"typeName":"dsDescriptionValue","multiple":false,"typeClass":"primitive","value":"The limited success in the prediction of structure is one of the most serious problems in the engineering of molecular crystals. Here we show that the packing of high-symmetry molecules such as ball-shaped rotating fullerenes, cube-shaped cubane, and octahedral-shaped mesitylene dimers give rise to the formation of cubic cocrystals with easily predictable lattice parameters. We present the synthesis and structure determination of Sc3N@C80-Ih cocrystals with cubane (C8H8) and mesitylene (C9H12) and compare the new materials with related C60- and C70-based structures. In this family of materials, most atom-to-atom interactions are averaged out by the symmetry, and the crystal structures can be described in terms of classical molecule-to-molecule interactions. Size-dependent homo- and heteromolecular contacts control the stability of the ball-cube and ball-octahedron systems creating several host–guest and recognition-controlled regions. The analysis of the global phase diagrams explains not only the stability of the observed materials, but also the instability of a missing derivative."}}]},{"typeName":"subject","multiple":true,"typeClass":"controlledVocabulary","value":["Physics"]},{"typeName":"keyword","multiple":true,"typeClass":"compound","value":[{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"carbon nanomaterials"}},{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"chemical structure"}},{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"crystal structure"}},{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"lattices"}},{"keywordValue":{"typeName":"keywordValue","multiple":false,"typeClass":"primitive","value":"nanospheres"}}]},{"typeName":"publication","multiple":true,"typeClass":"compound","value":[{"publicationCitation":{"typeName":"publicationCitation","multiple":false,"typeClass":"primitive","value":"@article{doi:10.1021/acs.cgd.0c00440,\nauthor = {Bortel, Gábor and Kováts, Éva and Földes, Dávid and Jakab, Emma and Durkó, Gábor and Pekker, Sándor},\ntitle = {Recognition-Control and Host–Guest Interactions in High-Symmetry Cocrystals of Fullerenes with Cubane and Mesitylene},\njournal = {Crystal Growth \\& Design},\nvolume = {20},\nnumber = {6},\npages = {4169-4175},\nyear = {2020},\ndoi = {10.1021/acs.cgd.0c00440}"},"publicationIDType":{"typeName":"publicationIDType","multiple":false,"typeClass":"controlledVocabulary","value":"doi"},"publicationIDNumber":{"typeName":"publicationIDNumber","multiple":false,"typeClass":"primitive","value":"10.1021/acs.cgd.0c00440"},"publicationURL":{"typeName":"publicationURL","multiple":false,"typeClass":"primitive","value":"https://pubs.acs.org/doi/full/10.1021/acs.cgd.0c00440"}}]},{"typeName":"grantNumber","multiple":true,"typeClass":"compound","value":[{"grantNumberAgency":{"typeName":"grantNumberAgency","multiple":false,"typeClass":"primitive","value":"National Research, Development and Innovation Office - 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