{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,2,21]],"date-time":"2025-02-21T21:49:26Z","timestamp":1740174566113,"version":"3.37.3"},"reference-count":20,"publisher":"International Union of Crystallography (IUCr)","issue":"11","license":[{"start":{"date-parts":[[2021,10,29]],"date-time":"2021-10-29T00:00:00Z","timestamp":1635465600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2021,10,29]],"date-time":"2021-10-29T00:00:00Z","timestamp":1635465600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/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"],"accepted":{"date-parts":[[2021,10,24]]},"published-print":{"date-parts":[[2021,11,1]]},"abstract":"<jats:p>The asymmetric unit of the first title compound iodido(1,4,8,11-tetraazacyclotetradecane-\u03ba<jats:sup>4<\/jats:sup>\n                  <jats:italic>N<\/jats:italic>\n                  <jats:sup>1<\/jats:sup>,<jats:italic>N<\/jats:italic>\n                  <jats:sup>4<\/jats:sup>,<jats:italic>N<\/jats:italic>\n                  <jats:sup>8<\/jats:sup>,<jats:italic>N<\/jats:italic>\n                  <jats:sup>11<\/jats:sup>)zinc(II) iodide, [ZnI(C<jats:sub>10<\/jats:sub>H<jats:sub>24<\/jats:sub>N<jats:sub>4<\/jats:sub>)]I, <jats:bold>I<\/jats:bold>, consists of the zinc\u2013cyclam macrocyclic cation with one iodide anion coordinated to the metal ion [Zn\u2014I = 2.6619\u2005(5)\u2005\u00c5] and the second present as a counter-ion. The asymmetric unit of the second title compound iodido(1,4,8,11-tetraazacyclotetradecane-\u03ba<jats:sup>4<\/jats:sup>\n                  <jats:italic>N<\/jats:italic>\n                  <jats:sup>1<\/jats:sup>,<jats:italic>N<\/jats:italic>\n                  <jats:sup>4<\/jats:sup>,<jats:italic>N<\/jats:italic>\n                  <jats:sup>8<\/jats:sup>,<jats:italic>N<\/jats:italic>\n                  <jats:sup>11<\/jats:sup>)zinc(II) triiodide, [ZnI(C<jats:sub>10<\/jats:sub>H<jats:sub>24<\/jats:sub>N<jats:sub>4<\/jats:sub>)]I<jats:sub>3<\/jats:sub>, <jats:bold>II<\/jats:bold>, consists of half of the centrosymmetric macrocyclic cation, in which the Zn<jats:sup>II<\/jats:sup> ion coordinated to an iodide anion [Zn\u2014I = 2.766\u2005(2)\u2005\u00c5] is disordered over two positions [Zn...Zn = 0.810\u2005(3)\u2005\u00c5], and of the two halves of the crystallographically non-equivalent, non-coordinated, centrosymmetric triiodide anions. In both compounds, the <jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>,<jats:italic>N<\/jats:italic>-tetradentate macrocyclic ligand is present in the most energetically favored <jats:italic>trans<\/jats:italic>-III conformation. In the crystals of <jats:bold>I<\/jats:bold>, the [Zn(C<jats:sub>10<\/jats:sub>H<jats:sub>24<\/jats:sub>N<jats:sub>4<\/jats:sub>)I]<jats:sup>+<\/jats:sup> cations and the non-coordinated iodide anions are linked by N\u2014H...I and bifurcated N\u2014H...(I,I) hydrogen bonds, resulting in the formation of two-dimensional networks lying parallel to the (001) and (101) planes. In contrast, the crystals of <jats:bold>II<\/jats:bold> are built up from infinite chains of the five-coordinate macrocyclic units arranged along the <jats:italic>b<\/jats:italic>-axis direction and perpendicular sheets formed of the triiodide counter-ions without significant hydrogen bonding between them.<\/jats:p>","DOI":"10.1107\/s2056989021011166","type":"journal-article","created":{"date-parts":[[2021,10,29]],"date-time":"2021-10-29T08:32:30Z","timestamp":1635496350000},"page":"1185-1189","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":3,"title":["Crystal structures of Zn(cyclam)I<sub>2<\/sub> (second monoclinic polymorph) and Zn(cyclam)I(I<sub>3<\/sub>)"],"prefix":"10.1107","volume":"77","author":[{"given":"Sergey P.","family":"Gavrish","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1222-4373","authenticated-orcid":true,"given":"Sergiu","family":"Shova","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3800-6697","authenticated-orcid":true,"given":"Yaroslaw D.","family":"Lampeka","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2021,10,29]]},"reference":[{"key":"hb7994_bb1","doi-asserted-by":"crossref","first-page":"2493","DOI":"10.1039\/dt9910002493","author":"Adam","year":"1991","journal-title":"J. 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