{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,10]],"date-time":"2025-12-10T15:57:03Z","timestamp":1765382223635,"version":"3.37.3"},"reference-count":19,"publisher":"International Union of Crystallography (IUCr)","issue":"3","license":[{"start":{"date-parts":[[2020,2,18]],"date-time":"2020-02-18T00:00:00Z","timestamp":1581984000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2020,2,18]],"date-time":"2020-02-18T00:00:00Z","timestamp":1581984000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"funder":[{"DOI":"10.13039\/501100001711","name":"Schweizerischer Nationalfonds zur F\u00f6rderung der Wissenschaftlichen Forschung","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001711","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100005353","name":"University of Neuch\u00e2tel","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100005353","id-type":"DOI","asserted-by":"crossref"}]}],"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":[[2020,2,5]]},"published-print":{"date-parts":[[2020,3,1]]},"abstract":"<jats:p>The whole molecule of the cadmium(II) complex, diiodido{<jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>\u2032,<jats:italic>N<\/jats:italic>\u2032\u2032,<jats:italic>N<\/jats:italic>\u2032\u2032\u2032-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<jats:italic>N<\/jats:italic>-methylaniline)-\u03ba<jats:sup>3<\/jats:sup>\n                  <jats:italic>N<\/jats:italic>\n                  <jats:sup>2<\/jats:sup>,<jats:italic>N<\/jats:italic>\n                  <jats:sup>1<\/jats:sup>,<jats:italic>N<\/jats:italic>\n                  <jats:sup>6<\/jats:sup>}cadmium(II), [CdI<jats:sub>2<\/jats:sub>(C<jats:sub>36<\/jats:sub>H<jats:sub>40<\/jats:sub>N<jats:sub>6<\/jats:sub>)], (<jats:bold>I<\/jats:bold>), of the ligand <jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>\u2032,<jats:italic>N<\/jats:italic>\u2032\u2032,<jats:italic>N<\/jats:italic>\u2032\u2032\u2032-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<jats:italic>N<\/jats:italic>-methylaniline) (<jats:bold>L<\/jats:bold>), is generated by a twofold rotation symmetry; the twofold axis bisects the cadmium atom and the nitrogen atoms of the pyrazine ring. The ligand coordinates in a mono-tridentate manner and the cadmium atom has a fivefold CdN<jats:sub>3<\/jats:sub>I<jats:sub>2<\/jats:sub> coordination environment with a distorted shape. In the zinc(II) complex, dichlorido{<jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>\u2032,<jats:italic>N<\/jats:italic>\u2032\u2032,<jats:italic>N<\/jats:italic>\u2032\u2032\u2032-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<jats:italic>N<\/jats:italic>-methylaniline)-\u03ba<jats:sup>3<\/jats:sup>\n                  <jats:italic>N<\/jats:italic>\n                  <jats:sup>2<\/jats:sup>,<jats:italic>N<\/jats:italic>\n                  <jats:sup>1<\/jats:sup>,<jats:italic>N<\/jats:italic>\n                  <jats:sup>6<\/jats:sup>}zinc(II) dichloromethane 0.6-solvate, [ZnCl<jats:sub>2<\/jats:sub>(C<jats:sub>36<\/jats:sub>H<jats:sub>40<\/jats:sub>N<jats:sub>6<\/jats:sub>)]\u00b70.6CH<jats:sub>2<\/jats:sub>Cl<jats:sub>2<\/jats:sub>, (<jats:bold>II<\/jats:bold>), ligand <jats:bold>L<\/jats:bold> also coordinates in a mono-tridentate manner and the zinc atom has a fivefold ZnN<jats:sub>3<\/jats:sub>Cl<jats:sub>2<\/jats:sub> coordination environment with a distorted shape. It crystallized as a partial dichloromethane solvate. In the crystal of <jats:bold>I<\/jats:bold>, the complex molecules are linked by weak C\u2014H...I contacts, forming ribbons propagating along [100]. In the crystal of <jats:bold>II<\/jats:bold>, the complex molecules are linked by a series of C\u2014H...\u03c0 interactions, forming layers lying parallel to the (1\\overline{1}1) plane. In the crystals of both compounds there are metal\u2013halide...\u03c0(pyrazine) contacts present. The Hirshfeld analyses confirm the importance of the C\u2014H...halide contacts in the crystal packing of both compounds.<\/jats:p>","DOI":"10.1107\/s2056989020001644","type":"journal-article","created":{"date-parts":[[2020,2,18]],"date-time":"2020-02-18T09:36:05Z","timestamp":1582018565000},"page":"410-416","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":1,"title":["The crystal structures and Hirshfeld surface analyses of a cadmium(II) and a zinc(II) mononuclear complex of the new tetrakis-substituted pyrazine ligand <i>N<\/i>,<i>N<\/i>\u2032,<i>N<\/i>\u2032\u2032,<i>N<\/i>\u2032\u2032\u2032-[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(<i>N<\/i>-methylaniline)"],"prefix":"10.1107","volume":"76","author":[{"given":"Ana","family":"Tesouro Vallina","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Helen","family":"Stoeckli-Evans","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2020,2,18]]},"reference":[{"key":"xi2022_bb1","doi-asserted-by":"crossref","first-page":"1349","DOI":"10.1039\/DT9840001349","author":"Addison","year":"1984","journal-title":"J. Chem. Soc. Dalton Trans."},{"key":"xi2022_bb2","doi-asserted-by":"crossref","first-page":"239","DOI":"10.1016\/S0020-1693(00)82931-X","volume":"204","author":"Graf","year":"1993","journal-title":"Inorg. Chim. Acta"},{"key":"xi2022_bb3","doi-asserted-by":"crossref","first-page":"1461","DOI":"10.1107\/S0108270194000569","volume":"50","author":"Graf","year":"1994","journal-title":"Acta Cryst. C"},{"key":"xi2022_bb4","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1107\/S2052520616003954","volume":"72","author":"Groom","year":"2016","journal-title":"Acta Cryst. B"},{"key":"xi2022_bb5","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1016\/j.inoche.2017.01.035","volume":"77","author":"Hong","year":"2017","journal-title":"Inorg. Chem. Commun."},{"key":"xi2022_bb6","doi-asserted-by":"crossref","first-page":"226","DOI":"10.1107\/S1600576719014092","volume":"53","author":"Macrae","year":"2020","journal-title":"J. Appl. Cryst."},{"key":"xi2022_bb7","doi-asserted-by":"crossref","first-page":"3814","DOI":"10.1039\/b704980c","author":"McKinnon","year":"2007","journal-title":"Chem. Commun."},{"key":"xi2022_bb8","first-page":"1869","volume":"34","author":"Saghatforoush","year":"2015","journal-title":"Jiegou Huaxue"},{"key":"xi2022_bb9","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1134\/S1070328411020096","volume":"37","author":"Saljooghi","year":"2011","journal-title":"Russ. J. Coord. Chem."},{"key":"xi2022_bb10","doi-asserted-by":"crossref","first-page":"112","DOI":"10.1107\/S0108767307043930","volume":"64","author":"Sheldrick","year":"2008","journal-title":"Acta Cryst. A"},{"key":"xi2022_bb11","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1107\/S2053229614024218","volume":"71","author":"Sheldrick","year":"2015","journal-title":"Acta Cryst. C"},{"key":"xi2022_bb12","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1039\/B818330A","volume":"11","author":"Spackman","year":"2009","journal-title":"CrystEngComm"},{"key":"xi2022_bb13","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1107\/S2056989019016244","volume":"76","author":"Spek","year":"2020","journal-title":"Acta Cryst. E"},{"key":"xi2022_bb14","unstructured":"Stoe & Cie (2004). IPDS-I Bedienungshandbuch. Stoe & Cie GmbH, Darmstadt, Germany."},{"key":"xi2022_bb15","unstructured":"Tesouro Vallina, A. (2001). PhD Thesis. University of Neuch\u00e2tel, Switzerland."},{"key":"xi2022_bb16","doi-asserted-by":"crossref","first-page":"404","DOI":"10.1107\/S2056989020002133","volume":"76","author":"Tesouro Vallina","year":"2020","journal-title":"Acta Cryst. E"},{"key":"xi2022_bb17","doi-asserted-by":"crossref","first-page":"284","DOI":"10.1016\/j.ica.2008.02.064","volume":"362","author":"Trivedi","year":"2009","journal-title":"Inorg. Chim. Acta"},{"key":"xi2022_bb18","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. http:\/\/hirshfeldsurface.net"},{"key":"xi2022_bb19","doi-asserted-by":"crossref","first-page":"920","DOI":"10.1107\/S0021889810022120","volume":"43","author":"Westrip","year":"2010","journal-title":"J. Appl. Cryst."}],"container-title":["Acta Crystallographica Section E Crystallographic Communications"],"original-title":[],"link":[{"URL":"https:\/\/journals.iucr.org\/e\/issues\/2020\/03\/00\/xi2022\/xi2022.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/journals.iucr.org\/e\/issues\/2020\/03\/00\/xi2022\/xi2022.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,13]],"date-time":"2025-01-13T11:04:34Z","timestamp":1736766274000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2056989020001644"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,2,18]]},"references-count":19,"journal-issue":{"issue":"3","published-online":{"date-parts":[[2020,3]]}},"alternative-id":["S2056989020001644"],"URL":"https:\/\/doi.org\/10.1107\/s2056989020001644","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S2056989020001644\/xi2022sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2056989020001644\/xi2022Isup2.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2056989020001644\/xi2022IIsup3.hkl","asserted-by":"subject"}]},"ISSN":["2056-9890"],"issn-type":[{"type":"electronic","value":"2056-9890"}],"subject":[],"published":{"date-parts":[[2020,2,18]]},"assertion":[{"value":"Acta Crystallographica Section E: Crystallographic Communications","order":0,"name":"journal","label":"Publication","explanation":{"URL":"https:\/\/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?xi2022","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":"24 January 2020","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"5 February 2020","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"18 February 2020","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?xi2022"}},{"value":"\u00a9 2020 Tesouro Vallina and Stoeckli-Evans","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"https:\/\/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"}}]}}