{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,1,14]],"date-time":"2025-01-14T09:42:45Z","timestamp":1736847765122,"version":"3.33.0"},"reference-count":45,"publisher":"International Union of Crystallography (IUCr)","issue":"1","license":[{"start":{"date-parts":[[2023,1,1]],"date-time":"2023-01-01T00:00:00Z","timestamp":1672531200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2023,1,1]],"date-time":"2023-01-01T00:00:00Z","timestamp":1672531200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"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":[[2022,12,1]]},"published-print":{"date-parts":[[2023,1,1]]},"abstract":"<jats:p>The synthesis and crystal structure (100\u2005K) of the title compound, [(CH<jats:sub>3<\/jats:sub>)<jats:sub>2<\/jats:sub>NH<jats:sub>2<\/jats:sub>][Fe(C<jats:sub>10<\/jats:sub>H<jats:sub>11<\/jats:sub>O<jats:sub>2<\/jats:sub>N<jats:sub>3<\/jats:sub>S)<jats:sub>2<\/jats:sub>], are reported. The asymmetric unit consists of an octahedral [Fe<jats:sup>III<\/jats:sup>(<jats:italic>L<\/jats:italic>)<jats:sub>2<\/jats:sub>]<jats:sup>\u2212<\/jats:sup> fragment, where <jats:italic>L<\/jats:italic>\n                  <jats:sup>2\u2212<\/jats:sup> is 3-ethoxysalicylaldehyde thiosemicarbazonate(2\u2212), and a dimethylammonium cation. Each <jats:italic>L<\/jats:italic>\n                  <jats:sup>2\u2212<\/jats:sup> ligand binds with the thiolate S, the imine N and the phenolate O atoms as donors, resulting in an Fe<jats:sup>III<\/jats:sup>S<jats:sub>2<\/jats:sub>N<jats:sub>2<\/jats:sub>O<jats:sub>2<\/jats:sub> chromophore. The ligands are orientated in two perpendicular planes, with the O and S atoms in <jats:italic>cis<\/jats:italic> positions, and mutually <jats:italic>trans<\/jats:italic> N atoms. The Fe<jats:sup>III<\/jats:sup> ion is in the high-spin state at 100\u2005K. The variable-temperature magnetic susceptibility measurements (5\u2013320\u2005K) are consistent with the presence of a high-spin Fe<jats:sup>III<\/jats:sup> ion with <jats:italic>D<\/jats:italic>\u00a0= 0.83\u2005(1)\u2005cm<jats:sup>\u22121<\/jats:sup> and <jats:italic>g<\/jats:italic>\u00a0= 2.<\/jats:p>","DOI":"10.1107\/s2053229622011597","type":"journal-article","created":{"date-parts":[[2022,12,6]],"date-time":"2022-12-06T11:02:50Z","timestamp":1670324570000},"page":"18-24","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Fe<sup>III<\/sup> in the high-spin state in dimethylammonium bis[3-ethoxysalicylaldehyde thiosemicarbazonato(2\u2013)-\u03ba<sup>3<\/sup>\n                  <i>O<\/i>\n                  <sup>2<\/sup>,<i>N<\/i>\n                  <sup>1<\/sup>,<i>S<\/i>]ferrate(III)"],"prefix":"10.1107","volume":"79","author":[{"given":"Robyn E.","family":"Powell","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2270-2295","authenticated-orcid":true,"given":"Martin R.","family":"Lees","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Graham J.","family":"Tizzard","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8414-9272","authenticated-orcid":true,"given":"Simon J.","family":"Coles","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Qingchun","family":"Yuan","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Petra J. van","family":"Koningsbruggen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2023,1,1]]},"reference":[{"key":"jx3075_bb1","unstructured":"Agilent (2014). CrysAlis PRO. Agilent Technologies Ltd, Yarnton, Oxfordshire, England."},{"key":"jx3075_bb2","doi-asserted-by":"crossref","first-page":"532","DOI":"10.1021\/ed085p532","volume":"85","author":"Bain","year":"2008","journal-title":"J. Chem. Educ."},{"key":"jx3075_bb3","doi-asserted-by":"crossref","first-page":"1555","DOI":"10.1002\/anie.199515551","volume":"34","author":"Bernstein","year":"1995","journal-title":"Angew. Chem. Int. Ed. Engl."},{"key":"jx3075_bb4","first-page":"2591","volume":"64","author":"Cambi","year":"1931","journal-title":"Berichte"},{"key":"jx3075_bb5","first-page":"656","volume":"66","author":"Cambi","year":"1933","journal-title":"Berichte"},{"key":"jx3075_bb6","doi-asserted-by":"crossref","first-page":"3001","DOI":"10.1039\/b202842p","author":"Chen","year":"2002","journal-title":"J. Chem. Soc. Dalton Trans."},{"key":"jx3075_bb7","doi-asserted-by":"crossref","first-page":"683","DOI":"10.1039\/C2SC00955B","volume":"3","author":"Coles","year":"2012","journal-title":"Chem. Sci."},{"key":"jx3075_bb8","doi-asserted-by":"crossref","first-page":"339","DOI":"10.1107\/S0021889808042726","volume":"42","author":"Dolomanov","year":"2009","journal-title":"J. Appl. Cryst."},{"key":"jx3075_bb50","doi-asserted-by":"crossref","first-page":"849","DOI":"10.1107\/S0021889812029111","volume":"45","author":"Farrugia","year":"2012","journal-title":"J. Appl. Cryst."},{"key":"jx3075_bb9","doi-asserted-by":"crossref","first-page":"341","DOI":"10.1039\/b207516d","volume":"27","author":"Floquet","year":"2003","journal-title":"New J. Chem."},{"key":"jx3075_bb10","doi-asserted-by":"crossref","first-page":"1621","DOI":"10.1039\/B605326B","volume":"30","author":"Floquet","year":"2006","journal-title":"New J. Chem."},{"key":"jx3075_bb11","doi-asserted-by":"crossref","first-page":"56","DOI":"10.1016\/j.ica.2008.02.057","volume":"362","author":"Floquet","year":"2009","journal-title":"Inorg. Chim. Acta"},{"key":"jx3075_bb12","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1007\/b13527","volume":"233","author":"G\u00fctlich","year":"2004","journal-title":"Top. Curr. Chem."},{"key":"jx3075_bb13","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1007\/b96897","volume":"107","author":"G\u00fctlich","year":"2004","journal-title":"Struct. Bond."},{"key":"jx3075_bb14","doi-asserted-by":"crossref","unstructured":"Halcrow, M. A. (2013). Editor. In Spin-Crossover Materials. Oxford: John Wiley & Sons Ltd.","DOI":"10.1002\/9781118519301"},{"key":"jx3075_bb15","doi-asserted-by":"crossref","first-page":"38","DOI":"10.1016\/j.ccr.2016.01.006","volume":"313","author":"Harding","year":"2016","journal-title":"Coord. Chem. Rev."},{"key":"jx3075_bb16","doi-asserted-by":"crossref","first-page":"7126","DOI":"10.1021\/ja001406e","volume":"122","author":"Hayami","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"jx3075_bb17","doi-asserted-by":"crossref","first-page":"3497","DOI":"10.1002\/chem.200802395","volume":"15","author":"Hayami","year":"2009","journal-title":"Chem. Eur. J."},{"key":"jx3075_bb18","doi-asserted-by":"crossref","first-page":"2381","DOI":"10.1039\/D0SC04555A","volume":"12","author":"Karuppannan","year":"2021","journal-title":"Chem. Sci."},{"key":"jx3075_bb19","doi-asserted-by":"crossref","first-page":"259","DOI":"10.1007\/b95409","volume":"233","author":"Koningsbruggen","year":"2004","journal-title":"Top. Curr. Chem."},{"key":"jx3075_bb20","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1007\/b95429","volume":"235","author":"L\u00e9tard","year":"2004","journal-title":"Top. Curr. Chem."},{"key":"jx3075_bb21","doi-asserted-by":"crossref","first-page":"12948","DOI":"10.1002\/chem.201302272","volume":"19","author":"Li","year":"2013","journal-title":"Chem. Eur. J."},{"key":"jx3075_bb22","doi-asserted-by":"crossref","first-page":"5184","DOI":"10.1002\/anie.201511281","volume":"55","author":"Li","year":"2016","journal-title":"Angew. Chem. Int. Ed."},{"key":"jx3075_bb23","doi-asserted-by":"crossref","first-page":"1703862","DOI":"10.1002\/adma.201703862","volume":"30","author":"Moln\u00e1r","year":"2018","journal-title":"Adv. Mater."},{"key":"jx3075_bb24","unstructured":"O'Connor, C. J. (1982). Progress in Inorganic Chemistry, edited by S. J. Lippard, Vol. 29, pp. 203-283. New York: John Wiley & Sons, Inc."},{"key":"jx3075_bb26","doi-asserted-by":"crossref","first-page":"786","DOI":"10.1107\/S0021889807029238","volume":"40","author":"Palatinus","year":"2007","journal-title":"J. Appl. Cryst."},{"key":"jx3075_bb27","doi-asserted-by":"crossref","first-page":"975","DOI":"10.1107\/S0021889808028185","volume":"41","author":"Palatinus","year":"2008","journal-title":"J. Appl. Cryst."},{"key":"jx3075_bb28","doi-asserted-by":"crossref","first-page":"51","DOI":"10.3390\/inorganics5030051","volume":"5","author":"Phonsri","year":"2017","journal-title":"Inorganics"},{"key":"jx3075_bb29","unstructured":"Powell, R. E. (2016). PhD thesis, Aston University, Birmingham, UK."},{"key":"jx3075_bb30","doi-asserted-by":"crossref","first-page":"63","DOI":"10.1107\/S2053229621013462","volume":"78","author":"Powell","year":"2022","journal-title":"Acta Cryst. C"},{"key":"jx3075_bb31","doi-asserted-by":"crossref","first-page":"595","DOI":"10.1107\/S2053229614008158","volume":"70","author":"Powell","year":"2014","journal-title":"Acta Cryst. C"},{"key":"jx3075_bb32","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1107\/S2053229615001928","volume":"71","author":"Powell","year":"2015","journal-title":"Acta Cryst. C"},{"key":"jx3075_bb33","doi-asserted-by":"crossref","first-page":"625","DOI":"10.1107\/S2053229620006452","volume":"76","author":"Powell","year":"2020","journal-title":"Acta Cryst. C"},{"key":"jx3075_bb34","unstructured":"Rigaku (2013). CrystalClear-SM Expert. Riguku Corporation, The Woodlands, Texas, USA."},{"key":"jx3075_bb35","doi-asserted-by":"crossref","first-page":"4038","DOI":"10.1039\/C8SC04935A","volume":"10","author":"Rubio-Gim\u00e9nez","year":"2019","journal-title":"Chem. Sci."},{"key":"jx3075_bb36","first-page":"119","volume":"4","author":"Ryabova","year":"1978","journal-title":"Koord. Khim."},{"key":"jx3075_bb37","first-page":"101","volume":"26","author":"Ryabova","year":"1981","journal-title":"Kristallografiya"},{"key":"jx3075_bb38","first-page":"81","volume":"27","author":"Ryabova","year":"1982","journal-title":"Kristallografiya"},{"key":"jx3075_bb39","doi-asserted-by":"crossref","first-page":"234","DOI":"10.1007\/BF00745198","volume":"22","author":"Ryabova","year":"1981","journal-title":"J. Struct. Chem."},{"key":"jx3075_bb40","doi-asserted-by":"crossref","first-page":"176","DOI":"10.1016\/j.ccr.2017.03.024","volume":"346","author":"Senthil Kumar","year":"2017","journal-title":"Coord. Chem. Rev."},{"key":"jx3075_bb41","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1107\/S2053229614024218","volume":"71","author":"Sheldrick","year":"2015","journal-title":"Acta Cryst. C"},{"key":"jx3075_bb42","doi-asserted-by":"crossref","first-page":"194","DOI":"10.1039\/C8CC07573E","volume":"55","author":"Tissot","year":"2019","journal-title":"Chem. Commun."},{"key":"jx3075_bb43","unstructured":"Yemeli Tido, E. W. (2010). PhD thesis, University of Groningen, The Netherlands."},{"key":"jx3075_bb44","doi-asserted-by":"crossref","first-page":"3896","DOI":"10.1016\/j.ica.2007.03.045","volume":"360","author":"Yemeli Tido","year":"2007","journal-title":"Inorg. Chim. Acta"},{"key":"jx3075_bb45","first-page":"2654","volume":"18","author":"Zelentsov","year":"1973","journal-title":"Russ. J. Inorg. Chem."}],"container-title":["Acta Crystallographica Section C Structural Chemistry"],"original-title":[],"link":[{"URL":"https:\/\/journals.iucr.org\/c\/issues\/2023\/01\/00\/jx3075\/jx3075.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/journals.iucr.org\/c\/issues\/2023\/01\/00\/jx3075\/jx3075.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,13]],"date-time":"2025-01-13T11:13:40Z","timestamp":1736766820000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2053229622011597"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,1,1]]},"references-count":45,"journal-issue":{"issue":"1","published-online":{"date-parts":[[2023,1]]}},"alternative-id":["S2053229622011597"],"URL":"https:\/\/doi.org\/10.1107\/s2053229622011597","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S2053229622011597\/jx3075sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2053229622011597\/jx3075Isup2.hkl","asserted-by":"subject"}]},"ISSN":["2053-2296"],"issn-type":[{"type":"electronic","value":"2053-2296"}],"subject":[],"published":{"date-parts":[[2023,1,1]]},"assertion":[{"value":"Acta Crystallographica Section C: Structural Chemistry","order":0,"name":"journal","label":"Publication","explanation":{"URL":"https:\/\/journals.iucr.org\/c"},"group":{"name":"general","label":"General"}},{"value":"research papers","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/c\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"https:\/\/scripts.iucr.org\/cgi-bin\/citedin?jx3075","order":2,"name":"article_metrics","label":"Article metrics","group":{"name":"general","label":"General"}},{"value":"Yes","order":0,"name":"peer_reviewed","label":"Peer reviewed","group":{"name":"peer_review","label":"Peer review"}},{"value":"Single blind","order":1,"name":"review_process","label":"Review process","group":{"name":"peer_review","label":"Peer review"}},{"value":"7 November 2022","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"1 December 2022","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"1 January 2023","order":2,"name":"published_online","label":"Published online","group":{"name":"publication_history","label":"Publication history"}},{"value":"This article has supporting information","name":"supplementary_materials","label":"Supplementary materials","explanation":{"URL":"https:\/\/scripts.iucr.org\/cgi-bin\/sendsup?jx3075"}},{"value":"\u00a9 2023 Powell et al.","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}},{"value":"Creative Commons Attribution (CC-BY)","order":1,"name":"license","label":"Licence","explanation":{"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}}]}}