{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,2,21]],"date-time":"2025-02-21T21:48:54Z","timestamp":1740174534442,"version":"3.37.3"},"reference-count":19,"publisher":"International Union of Crystallography (IUCr)","issue":"7","license":[{"start":{"date-parts":[[2019,6,21]],"date-time":"2019-06-21T00:00:00Z","timestamp":1561075200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2019,6,21]],"date-time":"2019-06-21T00:00:00Z","timestamp":1561075200000},"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":[[2019,6,12]]},"published-print":{"date-parts":[[2019,7,1]]},"abstract":"<jats:p>The asymmetric units of the title compounds,<jats:italic>trans<\/jats:italic>-diaqua(3-benzyl-1,3,5,8,12-pentaazacyclotetradecane-\u03ba<jats:sup>4<\/jats:sup><jats:italic>N<\/jats:italic><jats:sup>1<\/jats:sup>,<jats:italic>N<\/jats:italic><jats:sup>5<\/jats:sup>,<jats:italic>N<\/jats:italic><jats:sup>8<\/jats:sup>,<jats:italic>N<\/jats:italic><jats:sup>12<\/jats:sup>)copper(II) isophthalate monohydrate, [Cu(C<jats:sub>16<\/jats:sub>H<jats:sub>29<\/jats:sub>N<jats:sub>5<\/jats:sub>)(H<jats:sub>2<\/jats:sub>O)<jats:sub>2<\/jats:sub>](C<jats:sub>8<\/jats:sub>H<jats:sub>4<\/jats:sub>O<jats:sub>4<\/jats:sub>)\u00b7H<jats:sub>2<\/jats:sub>O, (I), and<jats:italic>trans<\/jats:italic>-diaqua[3-(pyridin-3-ylmethyl)-1,3,5,8,12-pentaazacyclotetradecane-\u03ba<jats:sup>4<\/jats:sup><jats:italic>N<\/jats:italic><jats:sup>1<\/jats:sup>,<jats:italic>N<\/jats:italic><jats:sup>5<\/jats:sup>,<jats:italic>N<\/jats:italic><jats:sup>8<\/jats:sup>,<jats:italic>N<\/jats:italic><jats:sup>12<\/jats:sup>]copper(II) isophthalate 0.9-hydrate, [Cu(C<jats:sub>15<\/jats:sub>H<jats:sub>28<\/jats:sub>N<jats:sub>6<\/jats:sub>)(H<jats:sub>2<\/jats:sub>O)<jats:sub>2<\/jats:sub>](C<jats:sub>8<\/jats:sub>H<jats:sub>4<\/jats:sub>O<jats:sub>4<\/jats:sub>)\u00b70.9H<jats:sub>2<\/jats:sub>O, (II) consist of one diaqua macrocyclic cation, one dicarboxylate anion and uncoordinated water molecule(s). In each compound, the metal ion is coordinated by the four secondary N atoms of the macrocyclic ligand and the mutually<jats:italic>trans<\/jats:italic>O atoms of the water molecules in a tetragonally distorted octahedral geometry. The average equatorial Cu\u2014N bond lengths are significantly shorter than the average axial Cu\u2014O bond lengths [2.020\u2005(9)<jats:italic>versus<\/jats:italic>2.495\u2005(12)\u2005\u00c5 and 2.015\u2005(4)<jats:italic>versus<\/jats:italic>2.507\u2005(7)\u2005\u00c5 for (I) and (II), respectively]. The coordinated macrocyclic ligand in the cations of both compounds adopts the most energetically favorable<jats:italic>trans<\/jats:italic>-III conformation. In the crystals, the complex cations and counter-anions are connected<jats:italic>via<\/jats:italic>hydrogen-bonding interactions between the N\u2014H groups of the macrocycles and the O\u2014H groups of coordinated water molecules as the proton donors and the O atoms of the carboxylate as the proton acceptors. Additionally, as a result of O\u2014H...O hydrogen bonding with the coordinated and water molecules of crystallization, the isophthalate dianions form layers lying parallel to the (\\overline{1}01) and (100) planes in (I) and (II), respectively.<\/jats:p>","DOI":"10.1107\/s2056989019008387","type":"journal-article","created":{"date-parts":[[2019,6,21]],"date-time":"2019-06-21T08:35:46Z","timestamp":1561106146000},"page":"1015-1019","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":3,"title":["Crystal structures of<i>trans<\/i>-diaqua(3-<i>R<\/i>-1,3,5,8,12-pentaazacyclotetradecane)copper(II) isophthalate hydrates (<i>R<\/i>= benzyl or pyridin-3-ylmethyl)"],"prefix":"10.1107","volume":"75","author":[{"given":"Irina L.","family":"Andriichuk","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Liudmyla V.","family":"Tsymbal","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vladimir B.","family":"Arion","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":[[2019,6,21]]},"reference":[{"key":"hb7828_bb1","doi-asserted-by":"crossref","first-page":"1102","DOI":"10.1021\/ic50030a003","volume":"4","author":"Bosnich","year":"1965","journal-title":"Inorg. 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