{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,20]],"date-time":"2026-04-20T16:40:52Z","timestamp":1776703252245,"version":"3.51.2"},"reference-count":24,"publisher":"International Union of Crystallography (IUCr)","issue":"9","license":[{"start":{"date-parts":[[2024,8,23]],"date-time":"2024-08-23T00:00:00Z","timestamp":1724371200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2024,8,23]],"date-time":"2024-08-23T00:00:00Z","timestamp":1724371200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"funder":[{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cientfico e Tecnolgico","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004901","name":"Fundao de Amparo Pesquisa do Estado de Minas Gerais","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004901","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100004809","name":"Financiadora de Estudos e Projetos","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr C Struct Chem","Acta Crystallogr C","Acta Crystallogr C Cryst Struct Commun","Acta Cryst C","Acta Cryst C Struct Chem","Acta Cryst Sect C","Acta Cryst Sect C Struct Chem","Acta Crystallogr Sect C","Acta Crystallogr Sect C Struct Chem","Acta Crystallogr Sect C Cryst Struct Commun"],"accepted":{"date-parts":[[2024,8,1]]},"published-print":{"date-parts":[[2024,9,1]]},"abstract":"<jats:p>The crystal structures of two coordination compounds, (acetato-\u03ba<jats:italic>O<\/jats:italic>)(2,2\u2032-bipyridine-\u03ba<jats:sup>2<\/jats:sup>\n                  <jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>\u2032)(1,10-phenanthroline-\u03ba<jats:sup>2<\/jats:sup>\n                  <jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>\u2032)copper(II) acetate hexahydrate, [Cu(C<jats:sub>2<\/jats:sub>H<jats:sub>3<\/jats:sub>O<jats:sub>2<\/jats:sub>)(C<jats:sub>10<\/jats:sub>H<jats:sub>8<\/jats:sub>N<jats:sub>2<\/jats:sub>)(C<jats:sub>12<\/jats:sub>H<jats:sub>8<\/jats:sub>N<jats:sub>2<\/jats:sub>)](C<jats:sub>2<\/jats:sub>H<jats:sub>3<\/jats:sub>O<jats:sub>2<\/jats:sub>)\u00b76H<jats:sub>2<\/jats:sub>O or [Cu(bipy)(phen)Ac]Ac\u00b76H<jats:sub>2<\/jats:sub>O, and (acetato-\u03ba<jats:italic>O<\/jats:italic>)bis(2,2\u2032-bipyridine-\u03ba<jats:sup>2<\/jats:sup>\n                  <jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>\u2032)copper(II) acetate\u2013acetic acid\u2013water (1\/1\/3), [Cu(C<jats:sub>2<\/jats:sub>H<jats:sub>3<\/jats:sub>O<jats:sub>2<\/jats:sub>)(C<jats:sub>10<\/jats:sub>H<jats:sub>8<\/jats:sub>N<jats:sub>2<\/jats:sub>)<jats:sub>2<\/jats:sub>](C<jats:sub>2<\/jats:sub>H<jats:sub>3<\/jats:sub>O<jats:sub>2<\/jats:sub>)\u00b7C<jats:sub>2<\/jats:sub>H<jats:sub>4<\/jats:sub>O<jats:sub>2<\/jats:sub>\u00b73H<jats:sub>2<\/jats:sub>O or [Cu(bipy)<jats:sub>2<\/jats:sub>Ac]Ac\u00b7HAc\u00b73H<jats:sub>2<\/jats:sub>O, are reported and compared with the previously published structure of [Cu(phen)<jats:sub>2<\/jats:sub>Ac]Ac\u00b77H<jats:sub>2<\/jats:sub>O (phen is 1,10-phenanthroline, bipy for 2,2\u2032-bipyridine, ac is acetate and Hac is acetic acid). The geometry around the metal centre is pentacoordinated, but highly distorted in all three cases. The coordination number and the geometric distortion are both discussed in detail, and all complexes belong to the space group <jats:italic>P<\/jats:italic>\\overline{1}. The analysis of the geometric parameters and the Hirshfeld surface properties <jats:italic>d<\/jats:italic>\n                  <jats:sub>norm<\/jats:sub> and curvedness provide information about the metal\u2013ligand interactions in these complexes and allow comparison with similar systems.<\/jats:p>","DOI":"10.1107\/s2053229624007617","type":"journal-article","created":{"date-parts":[[2024,8,23]],"date-time":"2024-08-23T15:12:18Z","timestamp":1724425938000},"page":"505-513","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":2,"title":["Coordination structure and intermolecular interactions in copper(II) acetate complexes with 1,10-phenanthroline and 2,2\u2032-bipyridine"],"prefix":"10.1107","volume":"80","author":[{"given":"Samuel P.","family":"Guimaraes","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1418-5048","authenticated-orcid":true,"given":"Leonardo H. R.","family":"Dos Santos","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Bernardo L.","family":"Rodrigues","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2024,8,23]]},"reference":[{"key":"zo3050_bb1","doi-asserted-by":"crossref","first-page":"1349","DOI":"10.1039\/DT9840001349","author":"Addison","year":"1984","journal-title":"J. Chem. Soc. Dalton Trans."},{"key":"zo3050_bb2","doi-asserted-by":"crossref","first-page":"383","DOI":"10.4314\/bcse.v24i3.60680","volume":"24","author":"Agwara","year":"2010","journal-title":"Bull. Chem. Soc. Eth."},{"key":"zo3050_bb3","first-page":"435","volume":"27","author":"Altomare","year":"1994","journal-title":"J. Appl. Cryst."},{"key":"zo3050_bb4","doi-asserted-by":"crossref","first-page":"849","DOI":"10.1107\/S0021889812029111","volume":"45","author":"Farrugia","year":"2012","journal-title":"J. Appl. Cryst."},{"key":"zo3050_bb5","doi-asserted-by":"crossref","first-page":"662","DOI":"10.1002\/anie.201306438","volume":"53","author":"Groom","year":"2014","journal-title":"Angew. Chem. Int. Ed."},{"key":"zo3050_bb6","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1107\/S2052520616003954","volume":"72","author":"Groom","year":"2016","journal-title":"Acta Cryst. B"},{"key":"zo3050_bb7","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1007\/BF00549096","volume":"44","author":"Hirshfeld","year":"1977","journal-title":"Theor. Claim. Acta"},{"key":"zo3050_bb8","doi-asserted-by":"crossref","first-page":"1321","DOI":"10.1246\/bcsj.53.1321","volume":"53","author":"Hisayoshi","year":"1980","journal-title":"Bull. Chem. Soc. Jpn"},{"key":"zo3050_bb9","doi-asserted-by":"crossref","first-page":"1189","DOI":"10.1016\/j.inoche.2009.09.015","volume":"12","author":"Hu","year":"2009","journal-title":"Inorg. Chem. Commun."},{"key":"zo3050_bb10","doi-asserted-by":"crossref","first-page":"m464","DOI":"10.1107\/S1600536811009676","volume":"67","author":"Jing","year":"2011","journal-title":"Acta Cryst. E"},{"key":"zo3050_bb11","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1016\/S0277-5387(00)83554-8","volume":"10","author":"Liu","year":"1991","journal-title":"Polyhedron"},{"key":"zo3050_bb12","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1016\/j.ejmech.2014.02.009","volume":"76","author":"Lobana","year":"2014","journal-title":"Eur. J. Med. Chem."},{"key":"zo3050_bb13","doi-asserted-by":"crossref","first-page":"226","DOI":"10.1107\/S1600576719014092","volume":"53","author":"Macrae","year":"2020","journal-title":"J. Appl. Cryst."},{"key":"zo3050_bb14","doi-asserted-by":"crossref","first-page":"707","DOI":"10.1107\/S2053229619005874","volume":"75","author":"Pinto","year":"2019","journal-title":"Acta Cryst. C"},{"key":"zo3050_bb15","doi-asserted-by":"crossref","first-page":"4827","DOI":"10.1021\/acs.cgd.0c00613","volume":"20","author":"Pinto","year":"2020","journal-title":"Cryst. Growth Des."},{"key":"zo3050_bb16","doi-asserted-by":"crossref","first-page":"1321","DOI":"10.1107\/S1600576720011413","volume":"53","author":"Pinto","year":"2020","journal-title":"J. Appl. Cryst."},{"key":"zo3050_bb17","unstructured":"Rigaku OD (2022). CrysAlis PRO. Rigaku Oxford Diffraction Ltd, Yarnton, Oxfordshire, England."},{"key":"zo3050_bb18","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1107\/S2053229614024218","volume":"71","author":"Sheldrick","year":"2015","journal-title":"Acta Cryst. C"},{"key":"zo3050_bb19","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1039\/B818330A","volume":"11","author":"Spackman","year":"2009","journal-title":"CrystEngComm"},{"key":"zo3050_bb20","doi-asserted-by":"crossref","first-page":"1006","DOI":"10.1107\/S1600576721002910","volume":"54","author":"Spackman","year":"2021","journal-title":"J. Appl. Cryst."},{"key":"zo3050_bb21","unstructured":"Turner, M. J., McKinnon, J. J., Wolff, S. K., Grimwood, D. J., Spackman, P. R., Jayatilaka, D. & Spackman, M. A. (2017). CrystalExplorer17. University of Western Australia. https:\/\/crystalexplorer.net\/."},{"key":"zo3050_bb22","doi-asserted-by":"crossref","first-page":"108","DOI":"10.1016\/j.saa.2012.05.009","volume":"96","author":"Vignesh","year":"2012","journal-title":"Spectrochim. Acta A Mol. Biomol. Spectrosc."},{"key":"zo3050_bb23","doi-asserted-by":"crossref","first-page":"m1215","DOI":"10.1107\/S1600536811031175","volume":"67","author":"Zhong","year":"2011","journal-title":"Acta Cryst. E"},{"key":"zo3050_bb24","doi-asserted-by":"crossref","first-page":"m1555","DOI":"10.1107\/S1600536812047721","volume":"68","author":"Zhong","year":"2012","journal-title":"Acta Cryst. E"}],"container-title":["Acta Crystallographica Section C Structural Chemistry"],"original-title":[],"link":[{"URL":"https:\/\/journals.iucr.org\/c\/issues\/2024\/09\/00\/zo3050\/zo3050.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/journals.iucr.org\/c\/issues\/2024\/09\/00\/zo3050\/zo3050.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,2,13]],"date-time":"2025-02-13T13:07:25Z","timestamp":1739452045000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2053229624007617"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,8,23]]},"references-count":24,"journal-issue":{"issue":"9","published-online":{"date-parts":[[2024,9]]}},"alternative-id":["S2053229624007617"],"URL":"https:\/\/doi.org\/10.1107\/s2053229624007617","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S2053229624007617\/zo3050sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2053229624007617\/zo3050Isup2.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2053229624007617\/zo3050IIIsup3.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2053229624007617\/zo3050sup4.pdf","asserted-by":"subject"}]},"ISSN":["2053-2296"],"issn-type":[{"value":"2053-2296","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,8,23]]},"assertion":[{"value":"Acta Crystallographica Section C: Structural Chemistry","order":0,"name":"journal","label":"Publication","explanation":{"URL":"https:\/\/journals.iucr.org\/c"},"group":{"name":"general","label":"General"}},{"value":"research papers","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/c\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"https:\/\/scripts.iucr.org\/cgi-bin\/citedin?zo3050","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":"29 May 2024","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"1 August 2024","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"23 August 2024","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?zo3050"}},{"value":"\u00a9 Guimaraes et al.","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licensing","label":"Copyright and licencing"}},{"value":"IUCr licence to publish","order":1,"name":"license","label":"Licence","explanation":{"URL":"https:\/\/journals.iucr.org\/copyright\/licencetopublish.html"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}}]}}