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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."},"publication":{"publicationCitation":"@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":"doi","publicationIDNumber":"10.1021/acs.cgd.0c00440","publicationURL":"https://pubs.acs.org/doi/full/10.1021/acs.cgd.0c00440"},"datasetContact":{"datasetContactName":"Bortel, Gábor","datasetContactAffiliation":"Wigner Research Centre for Physics","datasetContactEmail":"bortel.gabor@wigner.hu"},"title":"Recognition-Control and Host–Guest Interactions in High-Symmetry Cocrystals of Fullerenes with Cubane and Mesitylene","subject":"Physics","dateOfDeposit":"2023-09-25","depositor":"Rátkai, László","grantNumber":{"grantNumberAgency":"National Research, Development and Innovation Office - NKFIH","grantNumberValue":"FK-125063"},"@id":"https://hdl.handle.net/21.15109/CONCORDA/K1VCIW","@type":["ore:Aggregation","schema:Dataset"],"schema:version":"1.0","schema:name":"Recognition-Control and Host–Guest Interactions in High-Symmetry Cocrystals of Fullerenes with Cubane and Mesitylene","schema:dateModified":"Thu Sep 28 08:46:39 CEST 2023","schema:datePublished":"2023-09-28","schema:creativeWorkStatus":"RELEASED","schema:license":"http://creativecommons.org/licenses/by/4.0","dvcore:fileTermsOfAccess":{"dvcore:fileRequestAccess":false},"schema:includedInDataCatalog":"ARP","schema:isPartOf":{"schema:name":"Wigner Research Centre for Physics","@id":"https://repo.researchdata.hu/dataverse/wigner","schema:description":"<h2>HUN-REN Wigner Fizikai Kutatóközpont (HUN-REN Wigner FK)</h2> <p> A HUN-REN Wigner FK 2012. január 1-től a korábbi MTA KFKI Részecske- és Magfizikai Kutatóintézet és a korábbi MTA Szilárdtestfizikai és Optikai Kutatóintézet egyesülésével jött létre. 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