{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,6]],"date-time":"2026-06-06T02:51:26Z","timestamp":1780714286066,"version":"3.54.1"},"reference-count":31,"publisher":"International Union of Crystallography (IUCr)","issue":"5","license":[{"start":{"date-parts":[[2021,4,27]],"date-time":"2021-04-27T00:00:00Z","timestamp":1619481600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2021,4,27]],"date-time":"2021-04-27T00:00:00Z","timestamp":1619481600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"funder":[{"DOI":"10.13039\/501100007684","name":"Ministry of Education and Science of Ukraine","doi-asserted-by":"crossref","award":["2020-2022"],"award-info":[{"award-number":["2020-2022"]}],"id":[{"id":"10.13039\/501100007684","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr C Struct Chem","Acta Crystallogr C","Acta Crystallogr C Cryst Struct Commun","Acta Cryst C","Acta Cryst C Struct Chem","Acta Cryst Sect C","Acta Cryst Sect C Struct Chem","Acta Crystallogr Sect C","Acta Crystallogr Sect C Struct Chem","Acta Crystallogr Sect C Cryst Struct Commun"],"accepted":{"date-parts":[[2021,4,19]]},"published-print":{"date-parts":[[2021,5,1]]},"abstract":"<jats:p>Copper(I) \u03c0-coordination compounds with allyl derivatives of azoles are an interesting subject of current research, but Cu<jats:sup>I<\/jats:sup> \u03c0-complexes with other transition-metal ions incorporated in the structure have been virtually uninvestigated. The present work is directed toward the synthesis and structural characterization of the novel heterometallic Cu<jats:sup>I<\/jats:sup>\/Fe<jats:sup>II<\/jats:sup> \u03c0-complex di-\u03bc<jats:sub>2<\/jats:sub>-chlorido-1:2\u03ba<jats:sup>2<\/jats:sup>\n                  <jats:italic>Cl<\/jats:italic>;2:3\u03ba<jats:sup>2<\/jats:sup>\n                  <jats:italic>Cl<\/jats:italic>-tetrakis[\u03bc<jats:sub>2<\/jats:sub>-5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine]-1:2\u03ba<jats:sup>2<\/jats:sup>\n                  <jats:italic>N<\/jats:italic>\n                  <jats:sup>4<\/jats:sup>:<jats:italic>N<\/jats:italic>\n                  <jats:sup>3<\/jats:sup>;1(\u03b7<jats:sup>2<\/jats:sup>),\u03ba<jats:italic>N<\/jats:italic>\n                  <jats:sup>4<\/jats:sup>:2\u03ba<jats:italic>N<\/jats:italic>\n                  <jats:sup>3<\/jats:sup>;2:3\u03ba<jats:sup>2<\/jats:sup>\n                  <jats:italic>N<\/jats:italic>\n                  <jats:sup>3<\/jats:sup>:<jats:italic>N<\/jats:italic>\n                  <jats:sup>4<\/jats:sup>;2\u03ba<jats:italic>N<\/jats:italic>\n                  <jats:sup>3<\/jats:sup>:3(\u03b7<jats:sup>2<\/jats:sup>),\u03ba<jats:italic>N<\/jats:italic>\n                  <jats:sup>4<\/jats:sup>-dicopper(I)iron(II) tetrachloridoferrate(II), [Cu<jats:sub>2<\/jats:sub>FeCl<jats:sub>2<\/jats:sub>(C<jats:sub>5<\/jats:sub>H<jats:sub>7<\/jats:sub>N<jats:sub>3<\/jats:sub>S<jats:sub>2<\/jats:sub>)<jats:sub>4<\/jats:sub>][FeCl<jats:sub>4<\/jats:sub>] (<jats:bold>1<\/jats:bold>). The structure of the 5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (<jats:italic>Pesta<\/jats:italic>, C<jats:sub>5<\/jats:sub>H<jats:sub>7<\/jats:sub>N<jats:sub>3<\/jats:sub>S<jats:sub>2<\/jats:sub>) ligand is also presented. The cationic substructure in <jats:bold>1<\/jats:bold> consists of one Fe<jats:sup>II<\/jats:sup> and two Cu<jats:sup>I<\/jats:sup> ions bridged by two chloride ions along with two \u03c3,\u03c3- and two \u03c0,\u03c3-coordinated ligands, whereas the anionic part is built of isolated tetrahedral [FeCl<jats:sub>4<\/jats:sub>]<jats:sup>2\u2212<\/jats:sup> ions. \u03c0-Coordination of the <jats:italic>Pesta<\/jats:italic> allyl group to the Cu<jats:sup>I<\/jats:sup> ions prevents agglomeration of the inorganic Cu\u2013Cl\u2013Fe\u2013Cl\u2013Cu part into infinate chains. An energy framework computational analysis was performed for <jats:italic>Pesta<\/jats:italic>.<\/jats:p>","DOI":"10.1107\/s2053229621004198","type":"journal-article","created":{"date-parts":[[2021,4,27]],"date-time":"2021-04-27T16:26:15Z","timestamp":1619540775000},"page":"249-256","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":6,"title":["Synthesis, structure and computational study of 5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (<i>Pesta<\/i>) and its heterometallic \u03c0,\u03c3-complex [Cu<sub>2<\/sub>FeCl<sub>2<\/sub>(<i>Pesta<\/i>)<sub>4<\/sub>][FeCl<sub>4<\/sub>]"],"prefix":"10.1107","volume":"77","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2751-2543","authenticated-orcid":true,"given":"Yurii","family":"Slyvka","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1060-0459","authenticated-orcid":true,"given":"Vasyl","family":"Kinzhybalo","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4513-6385","authenticated-orcid":true,"given":"Olga","family":"Shyyka","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7799-8206","authenticated-orcid":true,"given":"Marian","family":"Mys'kiv","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2021,4,27]]},"reference":[{"key":"vp3015_bb1","doi-asserted-by":"crossref","unstructured":"Ardan, B., Kinzhybalo, V., Slyvka, Y., Shyyka, O., Luk`yanov, M., Lis, T. & Mys`kiv, M. 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