{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,30]],"date-time":"2026-07-30T16:58:51Z","timestamp":1785430731680,"version":"3.56.0"},"reference-count":0,"publisher":"International Union of Crystallography (IUCr)","issue":"6","license":[{"start":{"date-parts":[[2022,5,17]],"date-time":"2022-05-17T00:00:00Z","timestamp":1652745600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2022,5,17]],"date-time":"2022-05-17T00:00:00Z","timestamp":1652745600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"funder":[{"name":"Agen\u0163ia National\u0103 pentru Cercetare \u015fi Dezvoltare","award":["20.80009.5007.04"],"award-info":[{"award-number":["20.80009.5007.04"]}]}],"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":[[2022,4,29]]},"published-print":{"date-parts":[[2022,6,1]]},"abstract":"\n In the asymmetric unit of the title compound,\n trans<\/jats:italic>\n -diaqua(1,4,8,11-tetraazacyclotetradecane-\u03ba\n 4<\/jats:sup>\n N<\/jats:italic>\n 1<\/jats:sup>\n ,\n N<\/jats:italic>\n 4<\/jats:sup>\n ,\n N<\/jats:italic>\n 8<\/jats:sup>\n ,\n N<\/jats:italic>\n 11<\/jats:sup>\n )zinc(II)\n trans<\/jats:italic>\n -bis(hydrogen 4-phosphonatobiphenyl-4\u2032-carboxylato-\u03ba\n O<\/jats:italic>\n )(1,4,8,11-tetraazacyclotetradecane-\u03ba\n 4<\/jats:sup>\n N<\/jats:italic>\n 1<\/jats:sup>\n ,\n N<\/jats:italic>\n 4<\/jats:sup>\n ,\n N<\/jats:italic>\n 8<\/jats:sup>\n ,\n N<\/jats:italic>\n 11<\/jats:sup>\n )zinc(II), [Zn(C\n 10<\/jats:sub>\n H\n 24<\/jats:sub>\n N\n 4<\/jats:sub>\n )(H\n 2<\/jats:sub>\n O)\n 2<\/jats:sub>\n ][Zn(C\n 13<\/jats:sub>\n H\n 9<\/jats:sub>\n O\n 5<\/jats:sub>\n P)\n 2<\/jats:sub>\n (C\n 10<\/jats:sub>\n H\n 24<\/jats:sub>\n N\n 4<\/jats:sub>\n )], both Zn atoms lie on crystallographic inversion centres and the atoms of the macrocycle in the cation are disordered over two sets of sites. In both macrocyclic units, the metal ions possess a tetragonally elongated ZnN\n 4<\/jats:sub>\n O\n 2<\/jats:sub>\n octahedral environment formed by the four secondary N atoms of the macrocyclic ligand in the equatorial plane and the two\n trans<\/jats:italic>\n O atoms of the water molecules or anions in the axial positions, with the macrocyclic ligands adopting the most energetically favourable\n trans<\/jats:italic>\n -III conformation. The average Zn\u2014N bond lengths in both macrocyclic units do not differ significantly [2.112\u2005(12)\u2005\u00c5 for the anion and 2.101\u2005(3)\u2005\u00c5 for the cation] and are shorter than the average axial Zn\u2014O bond lengths [2.189\u2005(4)\u2005\u00c5 for phosphonate and 2.295\u2005(4)\u2005\u00c5 for aqua ligands]. In the crystal, the complex cations and anions are connected\n via<\/jats:italic>\n hydrogen-bonding interactions between the N\u2014H groups of the macrocycles, the O\u2014H groups of coordinated water molecules and the P\u2014O\u2014H groups of the acids as proton donors, and the O atoms of the phosphonate and carboxylate groups as acceptors, resulting in the formation of layers lying parallel to the (110) plane.\n <\/jats:p>","DOI":"10.1107\/s2056989022004534","type":"journal-article","created":{"date-parts":[[2022,5,17]],"date-time":"2022-05-17T04:20:10Z","timestamp":1652761210000},"page":"625-628","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":1,"title":["Synthesis and crystal structure of diaqua(1,4,8,11-tetraazacyclotetradecane)zinc(II) bis(hydrogen 4-phosphonatobiphenyl-4\u2032-carboxylato)(1,4,8,11-tetraazacyclotetradecane)zinc(II)"],"prefix":"10.1107","volume":"78","author":[{"given":"Liudmyla V.","family":"Tsymbal","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Irina L.","family":"Andriichuk","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vasile","family":"Lozan","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/04hzk8845","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1222-4373","authenticated-orcid":true,"given":"Sergiu","family":"Shova","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3800-6697","authenticated-orcid":true,"given":"Yaroslaw D.","family":"Lampeka","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2022,5,17]]},"container-title":["Acta Crystallographica Section E Crystallographic Communications"],"original-title":[],"link":[{"URL":"http:\/\/journals.iucr.org\/e\/issues\/2022\/06\/00\/hb8017\/hb8017.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/journals.iucr.org\/e\/issues\/2022\/06\/00\/hb8017\/hb8017.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,13]],"date-time":"2025-01-13T06:08:42Z","timestamp":1736748522000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2056989022004534"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,5,17]]},"references-count":0,"journal-issue":{"issue":"6","published-online":{"date-parts":[[2022,6]]}},"alternative-id":["S2056989022004534"],"URL":"https:\/\/doi.org\/10.1107\/s2056989022004534","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S2056989022004534\/hb8017sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2056989022004534\/hb8017Isup2.hkl","asserted-by":"subject"}]},"ISSN":["2056-9890"],"issn-type":[{"value":"2056-9890","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,5,17]]},"assertion":[{"value":"Acta Crystallographica Section E: Crystallographic Communications","order":0,"name":"journal","label":"Publication","explanation":{"URL":"http:\/\/journals.iucr.org\/e"},"group":{"name":"general","label":"General"}},{"value":"research communications","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/e\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"https:\/\/scripts.iucr.org\/cgi-bin\/citedin?hb8017","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":"19 April 2022","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"29 April 2022","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"17 May 2022","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?hb8017"}},{"value":"\u00a9 2022 Tsymbal\n et al.","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"http:\/\/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"}}]}}