{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T13:45:31Z","timestamp":1767966331884,"version":"3.49.0"},"reference-count":32,"publisher":"International Union of Crystallography (IUCr)","issue":"6","license":[{"start":{"date-parts":[[2025,5,2]],"date-time":"2025-05-02T00:00:00Z","timestamp":1746144000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2025,5,2]],"date-time":"2025-05-02T00:00:00Z","timestamp":1746144000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/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":[[2025,4,27]]},"published-print":{"date-parts":[[2025,6,1]]},"abstract":"<jats:p>The asymmetric unit of the complex [3,10-bis(3-carboxypropyl)-1,3,5,8,10,12-hexaazacyclotetradecane-\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>5<\/jats:sup>,<jats:italic>N<\/jats:italic>\n                  <jats:sup>8<\/jats:sup>,<jats:italic>N<\/jats:italic>\n                  <jats:sup>12<\/jats:sup>]dichloridocopper(II), [CuCl<jats:sub>2<\/jats:sub>(C<jats:sub>16<\/jats:sub>H<jats:sub>34<\/jats:sub>N<jats:sub>6<\/jats:sub>O<jats:sub>4<\/jats:sub>)] or [Cu(H<jats:sub>2<\/jats:sub>\n                  <jats:italic>L<\/jats:italic>)Cl<jats:sub>2<\/jats:sub>] (<jats:bold>I<\/jats:bold>), consists of a centrosymmetric macrocyclic Cu<jats:sup>II<\/jats:sup> dication and a chloride anion. The components of the heterometallic compound poly[[aqua[\u03bc<jats:sub>3<\/jats:sub>-3,10-bis(3-carboxypropyl)-1,3,5,8,10,12-hexaazacyclotetradecane-\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>5<\/jats:sup>,<jats:italic>N<\/jats:italic>\n                  <jats:sup>8<\/jats:sup>,<jats:italic>N<\/jats:italic>\n                  <jats:sup>12<\/jats:sup>:\u03ba<jats:sup>2<\/jats:sup>\n                  <jats:italic>O<\/jats:italic>,<jats:italic>O<\/jats:italic>\u2032:\u03ba<jats:sup>2<\/jats:sup>\n                  <jats:italic>O<\/jats:italic>\u2032\u2032,<jats:italic>O<\/jats:italic>\u2032\u2032\u2032]-\u03bc-chlorido-copper(II)cadmium(II] 1.25-hydrate], {[CuCd(C<jats:sub>16<\/jats:sub>H<jats:sub>32<\/jats:sub>N<jats:sub>6<\/jats:sub>O<jats:sub>4<\/jats:sub>)Cl<jats:sub>2<\/jats:sub>(H<jats:sub>2<\/jats:sub>O)]\u00b71.25H<jats:sub>2<\/jats:sub>O}<jats:sub>\n                     <jats:italic>n<\/jats:italic>\n                  <\/jats:sub> or {[CuCd(<jats:italic>L<\/jats:italic>)(H<jats:sub>2<\/jats:sub>O)Cl<jats:sub>2<\/jats:sub>]\u00b71.25H<jats:sub>2<\/jats:sub>O}<jats:sub>\n                     <jats:italic>n<\/jats:italic>\n                  <\/jats:sub> (<jats:bold>II<\/jats:bold>) are [Cu(<jats:italic>L<\/jats:italic>)(H<jats:sub>2<\/jats:sub>O)] moieties coordinated to CdCl<jats:sub>2<\/jats:sub> units <jats:italic>via<\/jats:italic> the deprotonated carboxylic groups of the macrocycle, and four water molecules of crystallization with partial occupancies. In each compound, the Cu<jats:sup>II<\/jats:sup> ion coordinates in the equatorial plane by the four secondary N atoms of the macrocyclic ligand, which adopts the most energetically stable <jats:italic>trans<\/jats:italic>-III conformation, and two mutually <jats:italic>trans<\/jats:italic> axial ligands in tetragonally elongated <jats:italic>trans<\/jats:italic>-CuN<jats:sub>4<\/jats:sub>Cl<jats:sub>2<\/jats:sub> and <jats:italic>trans<\/jats:italic>-CuN<jats:sub>4<\/jats:sub>(H<jats:sub>2<\/jats:sub>O)Cl octahedral geometries in <jats:bold>I<\/jats:bold> and <jats:bold>II<\/jats:bold>, respectively. The coordination environment of the Cd<jats:sup>II<\/jats:sup> ion in <jats:bold>II<\/jats:bold> is a CdO<jats:sub>4<\/jats:sub>Cl<jats:sub>2<\/jats:sub> distorted octahedron formed by two bidentately coordinated deprotonated carboxylic groups of different macrocycles and two chloride anions, one of which displays a \u03bc<jats:sub>2<\/jats:sub>-bridging function between the Cu<jats:sup>II<\/jats:sup> and Cd<jats:sup>II<\/jats:sup> ions. The extended structures of both complexes are distinctly lamellar. In particular, due to hydrogen\u2013bonding interactions with participation of carboxylic groups, chloride atoms and secondary amino groups of the macrocycle, the electro-neutral molecules in crystal of <jats:bold>I<\/jats:bold> are arranged in chains running in the [101] direction; hydrogen bonding between the chains leads to layers parallel to the (101) plane. In crystal of <jats:bold>II<\/jats:bold>, polymeric chains running along the [101] direction are joined into layers parallel to the (10<jats:overline>1<\/jats:overline>) plane <jats:italic>via<\/jats:italic> formation of Cu\u2014Cl bonds and interchain hydrogen bonds. There are no hydrogen-bonding interactions between the layers and the three-dimensional structure of <jats:bold>II<\/jats:bold> is based on the weak C\u2014H...O and C\u2014H...Cl contacts.<\/jats:p>","DOI":"10.1107\/s2056989025003792","type":"journal-article","created":{"date-parts":[[2025,5,2]],"date-time":"2025-05-02T11:44:20Z","timestamp":1746186260000},"page":"458-463","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":1,"title":["Synthesis and structural characterization of the dichloride complex formed by carboxy-functionalized Cu(diazacyclam)<sup>2+<\/sup> cation and its heterometallic coordination polymer with CdCl<sub>2<\/sub>"],"prefix":"10.1107","volume":"81","author":[{"given":"Liudmyla V.","family":"Tsymbal","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Irina L.","family":"Andriichuk","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3812-2428","authenticated-orcid":true,"given":"Alexandru-Constantin","family":"Stoica","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":[[2025,5,2]]},"reference":[{"key":"hb8137_bb1","doi-asserted-by":"crossref","first-page":"4197","DOI":"10.1021\/ic00243a028","volume":"25","author":"Barefield","year":"1986","journal-title":"Inorg. 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