{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,29]],"date-time":"2026-09-29T16:42:30Z","timestamp":1790700150182,"version":"4.1.0"},"reference-count":0,"publisher":"International Union of Crystallography (IUCr)","issue":"2","license":[{"start":{"date-parts":[[2006,3,15]],"date-time":"2006-03-15T00:00:00Z","timestamp":1142380800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0\/uk\/legalcode"},{"start":{"date-parts":[[2006,3,15]],"date-time":"2006-03-15T00:00:00Z","timestamp":1142380800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0\/uk\/legalcode"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr B Struct Sci","Acta Cryst B","Acta Cryst Sect B","Acta Crystallogr B","Acta Crystallogr Sect B","Acta Crystallogr Sect B Struct Sci"],"accepted":{"date-parts":[[2006,1,8]]},"published-print":{"date-parts":[[2006,4,1]]},"abstract":"<jats:p>A series of compounds of the N<jats:sub>3<\/jats:sub>P<jats:sub>3<\/jats:sub>Cl<jats:sub>(6 \u2212 <jats:italic>n<\/jats:italic>)<\/jats:sub>(NHBu<jats:sup>\n                     <jats:italic>t<\/jats:italic>\n                  <\/jats:sup>)<jats:sub>\n                     <jats:italic>n<\/jats:italic>\n                  <\/jats:sub> family (where <jats:italic>n<\/jats:italic> = 0, 1, 2, 4 and 6) are presented, and their molecular parameters are related to trends in physical properties, which provides insight into a potential reaction mechanism for nucleophilic substitution. The crystal structures of N<jats:sub>3<\/jats:sub>P<jats:sub>3<\/jats:sub>Cl<jats:sub>5<\/jats:sub>(NHBu<jats:sup>\n                     <jats:italic>t<\/jats:italic>\n                  <\/jats:sup>) and N<jats:sub>3<\/jats:sub>P<jats:sub>3<\/jats:sub>Cl<jats:sub>2<\/jats:sub>(NHBu<jats:sup>\n                     <jats:italic>t<\/jats:italic>\n                  <\/jats:sup>)<jats:sub>4<\/jats:sub> have been determined at 120\u2005K, and those of N<jats:sub>3<\/jats:sub>P<jats:sub>3<\/jats:sub>Cl<jats:sub>6<\/jats:sub> and N<jats:sub>3<\/jats:sub>P<jats:sub>3<\/jats:sub>Cl<jats:sub>4<\/jats:sub>(NHBu<jats:sup>\n                     <jats:italic>t<\/jats:italic>\n                  <\/jats:sup>)<jats:sub>2<\/jats:sub> have been redetermined at 120\u2005K. These are compared with the known structure of N<jats:sub>3<\/jats:sub>P<jats:sub>3<\/jats:sub>(NHBu<jats:sup>\n                     <jats:italic>t<\/jats:italic>\n                  <\/jats:sup>)<jats:sub>6<\/jats:sub> studied at 150\u2005K. Trends in molecular parameters [phosphazene ring, P\u2014Cl and P\u2014N(HBu<jats:sup>\n                     <jats:italic>t<\/jats:italic>\n                  <\/jats:sup>) distances, PCl<jats:sub>2<\/jats:sub> angles, and endo- and exocyclic phosphazene ring parameters] across the series are observed. Hydrogen-bonding motifs are identified, characterized and compared. Both the molecular and the hydrogen-bonding parameters are related to the electron distribution in bonds and the derived basicities of the cyclophosphazene series of compounds. These findings provide evidence for a proposed mechanism for nucleophilic substitution at a phosphorus site bearing a PCl(NHBu<jats:sup>\n                     <jats:italic>t<\/jats:italic>\n                  <\/jats:sup>) group.<\/jats:p>","DOI":"10.1107\/s0108768106000851","type":"journal-article","created":{"date-parts":[[2006,3,22]],"date-time":"2006-03-22T11:05:34Z","timestamp":1143025534000},"page":"321-329","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":37,"title":["Structural investigations of phosphorus\u2013nitrogen compounds. 7. Relationships between physical properties, electron densities, reaction mechanisms and hydrogen-bonding motifs of N<sub>3<\/sub>P<sub>3<\/sub>Cl<sub>(6\u2005\u2212\u2005<i>n<\/i>)<\/sub>(NHBu<sup>\n                     <i>t<\/i>\n                  <\/sup>)<sub>\n                     <i>n<\/i>\n                  <\/sub> derivatives"],"prefix":"10.1107","volume":"62","author":[{"given":"Stewart W.","family":"Bartlett","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Simon J.","family":"Coles","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"David B.","family":"Davies","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Michael B.","family":"Hursthouse","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hanife","family":"\u0130bi\u015fog\u02c7lu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Adem","family":"Kili\u00e7","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Robert A.","family":"Shaw","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"\u0130lker","family":"\u00dcn","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2006,3,15]]},"container-title":["Acta Crystallographica Section B Structural Science"],"original-title":[],"link":[{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2006\/02\/00\/de5025\/de5025.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2006\/02\/00\/de5025\/de5025.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,11]],"date-time":"2025-01-11T14:18:32Z","timestamp":1736605112000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S0108768106000851"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,3,15]]},"references-count":0,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2006,4]]}},"alternative-id":["S0108768106000851"],"URL":"https:\/\/doi.org\/10.1107\/s0108768106000851","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S0108768106000851\/de5025sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768106000851\/de5025sup2.hkl","asserted-by":"subject"}]},"ISSN":["0108-7681"],"issn-type":[{"value":"0108-7681","type":"print"}],"subject":[],"published":{"date-parts":[[2006,3,15]]},"assertion":[{"value":"Acta Crystallographica Section B: Structural Science","order":0,"name":"journal","label":"Publication","explanation":{"URL":"http:\/\/journals.iucr.org\/b"},"group":{"name":"general","label":"General"}},{"value":"research papers","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/b\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"http:\/\/scripts.iucr.org\/cgi-bin\/citedin?de5025","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":"2 November 2005","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"8 January 2006","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"15 March 2006","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":"http:\/\/scripts.iucr.org\/cgi-bin\/sendsup?de5025"}},{"value":"\u00a9 2006 International Union of Crystallography","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licensing","label":"Copyright and licencing"}}]}}