{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,5,14]],"date-time":"2025-05-14T00:12:09Z","timestamp":1747181529371,"version":"3.40.5"},"reference-count":18,"publisher":"International Union of Crystallography (IUCr)","issue":"4","license":[{"start":{"date-parts":[[2024,3,12]],"date-time":"2024-03-12T00:00:00Z","timestamp":1710201600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2024,3,12]],"date-time":"2024-03-12T00:00:00Z","timestamp":1710201600000},"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 E Cryst Commun","Acta Cryst E","Acta Cryst Sect E","Acta Crystallogr E","Acta Crystallogr Sect E","Acta Cryst E Cryst Commun","Acta Cryst Sect E Cryst Commun"],"accepted":{"date-parts":[[2024,3,1]]},"published-print":{"date-parts":[[2024,4,1]]},"abstract":"<jats:p>The structures of ten phosphane chalcogenide complexes of gold(III) halides, with general formula <jats:italic>R<\/jats:italic>\n                  <jats:sup>1<\/jats:sup>\n                  <jats:sub>3\u2013<jats:italic>n<\/jats:italic>\n                  <\/jats:sub>\n                  <jats:italic>R<\/jats:italic>\n                  <jats:sup>2<\/jats:sup>\n                  <jats:sub>\n                     <jats:italic>n<\/jats:italic>\n                  <\/jats:sub>P<jats:italic>E<\/jats:italic>Au<jats:italic>X<\/jats:italic>\n                  <jats:sub>3<\/jats:sub> (<jats:italic>R<\/jats:italic>\n                  <jats:sup>1<\/jats:sup> = <jats:italic>t<\/jats:italic>-butyl; <jats:italic>R<\/jats:italic>\n                  <jats:sup>2<\/jats:sup> = <jats:italic>i<\/jats:italic>-propyl; <jats:italic>n<\/jats:italic> = 0 to 3; <jats:italic>E<\/jats:italic> = S or Se; <jats:italic>X<\/jats:italic> = Cl or Br) are presented. The eight possible chlorido derivatives are: <jats:bold>9a<\/jats:bold>, <jats:italic>n<\/jats:italic> = 3, <jats:italic>E<\/jats:italic> = S; <jats:bold>10a<\/jats:bold>, <jats:italic>n<\/jats:italic> = 2, <jats:italic>E<\/jats:italic> = S; <jats:bold>11a<\/jats:bold>, <jats:italic>n<\/jats:italic> = 1, <jats:italic>E<\/jats:italic> = S; <jats:bold>12a<\/jats:bold>, <jats:italic>n<\/jats:italic> = 0, <jats:italic>E<\/jats:italic> = S; <jats:bold>13a<\/jats:bold>, <jats:italic>n<\/jats:italic> = 3, <jats:italic>E<\/jats:italic> = Se; <jats:bold>14a<\/jats:bold>, <jats:italic>n<\/jats:italic> = 2, <jats:italic>E<\/jats:italic> = Se; <jats:bold>15a<\/jats:bold>, <jats:italic>n<\/jats:italic> = 1, <jats:italic>E<\/jats:italic> = Se; and <jats:bold>16a<\/jats:bold>, <jats:italic>n<\/jats:italic> = 0, <jats:italic>E<\/jats:italic> = Se, and the corresponding bromido derivatives are <jats:bold>9b<\/jats:bold>\u2013<jats:bold>16b<\/jats:bold> in the same order. Structures were obtained for <jats:bold>9a<\/jats:bold>, <jats:bold>10a<\/jats:bold> (and a second polymorph <jats:bold>10aa<\/jats:bold>), <jats:bold>11a<\/jats:bold> (and its deuterochloroform monosolvate <jats:bold>11aa<\/jats:bold>), <jats:bold>12a<\/jats:bold> (as its dichloromethane monosolvate), <jats:bold>14a<\/jats:bold>, <jats:bold>15a<\/jats:bold> (as its deuterochloroform monosolvate <jats:bold>15aa<\/jats:bold>, in which the solvent molecule is disordered over two positions), <jats:bold>9b<\/jats:bold>, <jats:bold>11b<\/jats:bold>, <jats:bold>13b<\/jats:bold> and <jats:bold>15b<\/jats:bold>. The structures of <jats:bold>11a<\/jats:bold>, <jats:bold>15a<\/jats:bold>, <jats:bold>11b<\/jats:bold> and <jats:bold>15b<\/jats:bold> form an isotypic set, and those of compounds <jats:bold>10aa<\/jats:bold> and <jats:bold>14a<\/jats:bold> form an isotypic pair. All structures have <jats:italic>Z<\/jats:italic>\u2032 = 1. The gold(III) centres show square-planar coordination geometry and the chalcogenide atoms show approximately tetrahedral angles (except for the very wide angle in <jats:bold>12a<\/jats:bold>, probably associated with the bulky <jats:italic>t<\/jats:italic>-butyl groups). The bond lengths at the gold atoms are lengthened with respect to the known gold(I) derivatives, and demonstrate a considerable <jats:italic>trans<\/jats:italic> influence of S and Se donor atoms on a <jats:italic>trans<\/jats:italic> Au\u2014Cl bond. Each compound with an isopropyl group shows a short intramolecular contact of the type C\u2014H<jats:sub>methine<\/jats:sub>...<jats:italic>X<jats:sub>cis<\/jats:sub>\n                  <\/jats:italic>; these may be regarded as intramolecular \u2018weak\u2019 hydrogen bonds, and they determine the orientation of the Au<jats:italic>X<\/jats:italic>\n                  <jats:sub>3<\/jats:sub> groups. The molecular packing is analysed in terms of various short contacts such as weak hydrogen bonds C\u2014H...<jats:italic>X<\/jats:italic> and contacts between the heavier atoms, such as <jats:italic>X<\/jats:italic>...<jats:italic>X<\/jats:italic> (<jats:bold>9a<\/jats:bold>, <jats:bold>10aa<\/jats:bold>, <jats:bold>11aa<\/jats:bold>, <jats:bold>15aa<\/jats:bold> and <jats:bold>9b<\/jats:bold>), S...S (<jats:bold>10aa<\/jats:bold>, <jats:bold>11a<\/jats:bold> and <jats:bold>12a<\/jats:bold>) and S...Cl (<jats:bold>10a<\/jats:bold>). The packing of the polymorphs <jats:bold>10a<\/jats:bold> and <jats:bold>10aa<\/jats:bold> is thus quite different. The solvent molecules take part in C\u2014H...Cl hydrogen bonds; for <jats:bold>15aa<\/jats:bold>, a disordered solvent region at <jats:italic>z<\/jats:italic> \u2243 0 is observed. Structure <jats:bold>13b<\/jats:bold> involves unusual inversion-symmetric dimers with Se...Au and Se...Br contacts, further connected by Br...Br contacts.<\/jats:p>","DOI":"10.1107\/s2056989024002032","type":"journal-article","created":{"date-parts":[[2024,3,12]],"date-time":"2024-03-12T09:19:07Z","timestamp":1710235147000},"page":"355-369","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":4,"title":["Crystal structures of ten phosphane chalcogenide complexes of gold(III) chloride and bromide"],"prefix":"10.1107","volume":"80","author":[{"given":"Daniel","family":"Upmann","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1084-8577","authenticated-orcid":true,"given":"Dirk","family":"Bockfeld","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Peter G.","family":"Jones","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0009-0007-4121-2711","authenticated-orcid":true,"given":"Eliza","family":"T\u00e2rcoveanu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2024,3,12]]},"reference":[{"key":"yz2051_bb1","doi-asserted-by":"crossref","first-page":"333","DOI":"10.1016\/j.poly.2015.07.008","volume":"100","author":"Breshears","year":"2015","journal-title":"Polyhedron"},{"key":"yz2051_bb2","unstructured":"Bruker (1998). 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