{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,6]],"date-time":"2026-05-06T08:54:35Z","timestamp":1778057675678,"version":"3.51.4"},"reference-count":0,"publisher":"International Union of Crystallography (IUCr)","issue":"9","license":[{"start":{"date-parts":[[2018,8,24]],"date-time":"2018-08-24T00:00:00Z","timestamp":1535068800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0\/uk\/legalcode"},{"start":{"date-parts":[[2018,8,24]],"date-time":"2018-08-24T00:00:00Z","timestamp":1535068800000},"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 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"],"published-print":{"date-parts":[[2018,9,1]]},"abstract":"<jats:p>In the title compound, [Cd(C<jats:sub>16<\/jats:sub>H<jats:sub>16<\/jats:sub>O<jats:sub>3<\/jats:sub>)<jats:sub>2<\/jats:sub>(C<jats:sub>12<\/jats:sub>H<jats:sub>8<\/jats:sub>N<jats:sub>2<\/jats:sub>)]\u00b74H<jats:sub>2<\/jats:sub>O, the Cd ion lies on a twofold rotation axis and is chelated by two monodeprotonated residues of the L-tyrosine-derived ligand (<jats:italic>S<\/jats:italic>)-2-[(2-hydroxybenzyl)amino]-3-(4-hydroxyphenyl)propanoic acid (<jats:bold>L<\/jats:bold>) in a \u03ba<jats:sup>2<\/jats:sup>\n                  <jats:italic>N<\/jats:italic>,<jats:italic>O<\/jats:italic> amino acid chelating mode, exhibiting an (<jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>\u2032)-<jats:italic>trans<\/jats:italic> disposition, and by 1,10-phenanthroline in a \u03ba<jats:sup>2<\/jats:sup>\n                  <jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>\u2032 mode. The latter ligand is also located about the twofold rotation axis that bisects the central six-members ring. The phenolic groups remain protonated and non-coordinating and take part as acceptors in the intramolecular hydrogen bonds with the amino groups of the acido ligands. The Cd ion is six-coordinated in a distorted octahedral environment. In the crystal, O\u2014H...O hydrogen bonds result in the formation of three-dimensional network structures. The title complex has also been characterized by IR and <jats:sup>1<\/jats:sup>H NMR spectroscopy and DFT studies. The crystal studied was refined as an inversion twin.<\/jats:p>","DOI":"10.1107\/s205698901801157x","type":"journal-article","created":{"date-parts":[[2018,8,24]],"date-time":"2018-08-24T08:44:45Z","timestamp":1535100285000},"page":"1339-1343","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":3,"title":["Structural characterization and DFT study of bis{(<i>S<\/i>)-2-[(2-hydroxybenzyl)amino]-3-(4-hydroxyphenyl)propanoato-\u03ba<sup>2<\/sup>\n                  <i>N<\/i>,<i>O<\/i>}(1,10-phenanthroline-\u03ba<sup>2<\/sup>\n                  <i>N<\/i>,<i>N<\/i>\u2032)cadmium(II) tetrahydrate"],"prefix":"10.1107","volume":"74","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4678-9508","authenticated-orcid":true,"given":"Md. Serajul Haque","family":"Faizi","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Necmi","family":"Dege","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"James","family":"Pogrebetsky","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Turganbay S.","family":"Iskenderov","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2018,8,24]]},"container-title":["Acta Crystallographica Section E Crystallographic Communications"],"original-title":[],"link":[{"URL":"http:\/\/journals.iucr.org\/e\/issues\/2018\/09\/00\/xu5935\/xu5935.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/journals.iucr.org\/e\/issues\/2018\/09\/00\/xu5935\/xu5935.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,11]],"date-time":"2025-01-11T15:09:48Z","timestamp":1736608188000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S205698901801157X"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2018,8,24]]},"references-count":0,"journal-issue":{"issue":"9","published-online":{"date-parts":[[2018,9]]}},"alternative-id":["S205698901801157X"],"URL":"https:\/\/doi.org\/10.1107\/s205698901801157x","relation":{},"ISSN":["2056-9890"],"issn-type":[{"value":"2056-9890","type":"electronic"}],"subject":[],"published":{"date-parts":[[2018,8,24]]},"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":"http:\/\/scripts.iucr.org\/cgi-bin\/citedin?xu5935","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":"26 July 2018","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"15 August 2018","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"24 August 2018","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?xu5935"}},{"value":"\u00a9 2018 Faizi 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":"http:\/\/creativecommons.org\/licenses\/by\/2.0\/uk\/legalcode"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}}]}}