{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,3]],"date-time":"2025-10-03T17:52:09Z","timestamp":1759513929747,"version":"3.37.3"},"reference-count":28,"publisher":"International Union of Crystallography (IUCr)","issue":"2","license":[{"start":{"date-parts":[[2019,1,8]],"date-time":"2019-01-08T00:00:00Z","timestamp":1546905600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2019,1,8]],"date-time":"2019-01-08T00:00:00Z","timestamp":1546905600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/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":[[2019,1,3]]},"published-print":{"date-parts":[[2019,2,1]]},"abstract":"<jats:p>The structure of [IrCl<jats:sub>2<\/jats:sub>(C<jats:sub>58<\/jats:sub>H<jats:sub>51<\/jats:sub>N<jats:sub>3<\/jats:sub>P<jats:sub>4<\/jats:sub>)]Cl\u00b75.5CH<jats:sub>3<\/jats:sub>CN or [IrCl<jats:sub>2<\/jats:sub>(NHCHPh)(((dppm)C(N<jats:sub>2<\/jats:sub>dppm))<jats:italic>-<\/jats:italic>\u03ba<jats:italic>\n                     <jats:sup>3<\/jats:sup>P,C,P<\/jats:italic>)]Cl\u00b75.5CH<jats:sub>3<\/jats:sub>CN [<jats:bold>3<\/jats:bold>, dppm = bis(diphenylphosphino)methane; systematic name: dichlorido(1,1,3,3,7,7,9,9-octaphenyl-4,5-diaza-1,3\u03bb<jats:sup>5<\/jats:sup>,7\u03bb<jats:sup>4<\/jats:sup>,9-tetraphosphanona-3,5-dien-6-yl-\u03ba<jats:sup>2<\/jats:sup>\n                  <jats:italic>P<\/jats:italic>\n                  <jats:sup>1<\/jats:sup>,<jats:italic>P<\/jats:italic>\n                  <jats:sup>9<\/jats:sup>)(phenylmethanimine-\u03ba<jats:italic>N<\/jats:italic>)iridium(III) chloride acetonitrile hemihendecasolvate], resulting from an oxygen-mediated cleavage of a triazeneylidenephosphorane ligand producing a diazomethylenephosphorane and a nitrene moiety, which in turn rearrange <jats:italic>via<\/jats:italic> a Staudinger reaction and a 1,2-hydride shift to the first title complex, involves a six-coordinate Ir<jats:sup>III<\/jats:sup> complex cation coordinated by a <jats:italic>facial<\/jats:italic> PCP pincer ligand, a benzaldimine and two chlorido ligands. The pincer system features a five- and a seven-membered ring, with the central divalent carbon of the PCP pincer ligand being connected to a phosphine and a diazophosphorane. The chlorido ligands are positioned <jats:italic>trans<\/jats:italic> to the central carbon atom and to the phosphorus donor of the seven-membered ring of the pincer system, respectively. A chloride ion serves as counter-ion for the monocationic complex. The structure of [IrI(C<jats:sub>26<\/jats:sub>H<jats:sub>22<\/jats:sub>N<jats:sub>2<\/jats:sub>P<jats:sub>2<\/jats:sub>)(C<jats:sub>26<\/jats:sub>H<jats:sub>22<\/jats:sub>P<jats:sub>2<\/jats:sub>)(C<jats:sub>6<\/jats:sub>H<jats:sub>7<\/jats:sub>N)]I(I<jats:sub>3<\/jats:sub>)\u00b70.5I<jats:sub>2<\/jats:sub>\u00b7CH<jats:sub>3<\/jats:sub>OH\u00b70.5CH<jats:sub>2<\/jats:sub>Cl<jats:sub>2<\/jats:sub> or [IrI(NHCHPh)((dppm)C(N<jats:sub>2<\/jats:sub>)-\u03ba<jats:italic>\n                     <jats:sup>2<\/jats:sup>P,C<\/jats:italic>)(dppm<jats:italic>-<\/jats:italic>\u03ba<jats:italic>\n                     <jats:sup>2<\/jats:sup>P,P\u2032<\/jats:italic>)]I(I<jats:sub>3<\/jats:sub>)\u00b70.5I<jats:sub>2<\/jats:sub>\u00b7CH<jats:sub>3<\/jats:sub>OH\u00b70.5CH<jats:sub>2<\/jats:sub>Cl<jats:sub>2<\/jats:sub> {<jats:bold>4<\/jats:bold>, systematic name: (4-diazo-1,1,3,3,-tetraphenyl-1,3\u03bb<jats:sup>4<\/jats:sup>-diphosphabutan-4-yl-\u03ba<jats:italic>P<\/jats:italic>\n                  <jats:sup>1<\/jats:sup>)iodido[methylenebis(diphenylphosphine)-\u03ba<jats:sup>2<\/jats:sup>\n                  <jats:italic>P<\/jats:italic>,<jats:italic>P<\/jats:italic>\u2032](phenylmethanimine-\u03ba<jats:italic>N<\/jats:italic>)iridium(III) iodide\u2013triiodide\u2013dichloromethane\u2013iodine\u2013methanol (2\/2\/1\/1\/2)}, accessed <jats:italic>via<\/jats:italic> treatment of the triazeneylidenephosphorane complex [Ir((BnN<jats:sub>3<\/jats:sub>)C(dppm)-\u03ba<jats:italic>\n                     <jats:sup>3<\/jats:sup>P,C,N<\/jats:italic>)(dppm-\u03ba<jats:italic>\n                     <jats:sup>2<\/jats:sup>P,P<\/jats:italic>\u2032)]Cl with hydroiodic acid, consists of a dicationic six-coordinate Ir<jats:sup>III<\/jats:sup> complex, coordinated by a bidentate diazomethylenephosphorane, a benzaldimine, a chelating dppm moiety and an iodido ligand. The phosphorus atoms of the chelating dppm are <jats:italic>trans<\/jats:italic> to the central carbon atom of the diazomethylenephosphorane and the iodide ligand, respectively. Both an iodide and a triiodide moiety function as counter-ions. The acetonitrile solvent molecules in <jats:bold>3<\/jats:bold> are severely disordered in position and occupation. In <jats:bold>4<\/jats:bold>, the I<jats:sub>3<\/jats:sub>\n                  <jats:sup>\u2212<\/jats:sup> anion is positionally disordered (ratio roughly 1:1), as is the I<jats:sup>\u2212<\/jats:sup> anion with a ratio of 9:1. The dichloromethane solvent molecule lies near a twofold rotation axis (disorder) and was refined with an occupancy of 0.5. Another disorder occurs for the solvent methanol with a 1:1 ratio.<\/jats:p>","DOI":"10.1107\/s2056989019000136","type":"journal-article","created":{"date-parts":[[2019,1,8]],"date-time":"2019-01-08T09:25:50Z","timestamp":1546939550000},"page":"179-184","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":5,"title":["Crystal structures of [IrCl<sub>2<\/sub>(NHCHPh)((dppm)(C(N<sub>2<\/sub>dppm))-\u03ba<sup>3<\/sup>\n                  <i>P<\/i>,<i>C<\/i>,<i>P<\/i>\u2032)]Cl\u00b75.5MeCN and [IrI(NHCHPh)(((dppm)C(N<sub>2<\/sub>))-\u03ba<sup>2<\/sup>\n                  <i>P<\/i>,<i>C<\/i>)(dppm-\u03ba<sup>2<\/sup>\n                  <i>P<\/i>,<i>P<\/i>\u2032)]I(I<sub>3<\/sub>)\u00b70.5I<sub>2<\/sub>\u00b7MeOH\u00b70.5CH<sub>2<\/sub>Cl<sub>2<\/sub>: triazene fragmentation in a PCN pincer iridium complex"],"prefix":"10.1107","volume":"75","author":[{"given":"Bettina","family":"Pauer","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5666-9454","authenticated-orcid":true,"given":"Gabriel Julian","family":"Partl","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Stefan","family":"Oberparleiter","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Walter","family":"Schuh","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0396-7917","authenticated-orcid":true,"given":"Holger","family":"Kopacka","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8774-9051","authenticated-orcid":true,"given":"Klaus","family":"Wurst","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Paul","family":"Peringer","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2019,1,8]]},"reference":[{"key":"su5470_bb1","doi-asserted-by":"crossref","first-page":"742","DOI":"10.1021\/ic701907y","volume":"47","author":"Albertin","year":"2008","journal-title":"Inorg. 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