{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,7]],"date-time":"2026-02-07T18:09:05Z","timestamp":1770487745597,"version":"3.49.0"},"reference-count":0,"publisher":"International Union of Crystallography (IUCr)","issue":"6","license":[{"start":{"date-parts":[[2019,5,14]],"date-time":"2019-05-14T00:00:00Z","timestamp":1557792000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2019,5,14]],"date-time":"2019-05-14T00:00:00Z","timestamp":1557792000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"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":[[2019,4,23]]},"published-print":{"date-parts":[[2019,6,1]]},"abstract":"<jats:p>Cyclam derivatives and their metal complexes have been found to exhibit an anti-HIV effect and stimulate the activity of stem cells from bone marrow. The strength of their binding to the CXCR4 receptor correlates with anti-HIV and stem-cell activities. Knowledge of the conformation and crystal packing of various macrocyclic metal complexes has become important in developing new effective anti-HIV drugs. The synthesis and preparation of single crystals of a new Cu<jats:sup>2+<\/jats:sup>-doped macrocyclic compound, (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0<jats:sup>7,12<\/jats:sup>]docosane)copper(II) bis(perchlorate)\u20133,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0<jats:sup>7,12<\/jats:sup>]docosane bis(perchlorate) (0.69\/0.31), {[Cu(C<jats:sub>22<\/jats:sub>H<jats:sub>44<\/jats:sub>N<jats:sub>4<\/jats:sub>)](ClO<jats:sub>4<\/jats:sub>)<jats:sub>2<\/jats:sub>}<jats:sub>0.69<\/jats:sub>\u00b7(C<jats:sub>22<\/jats:sub>H<jats:sub>46<\/jats:sub>N<jats:sub>4<\/jats:sub>\n                  <jats:sup>2+<\/jats:sup>\u00b72ClO<jats:sub>4<\/jats:sub>\n                  <jats:sup>\u2212<\/jats:sup>)<jats:sub>0.31<\/jats:sub>, is reported. Characterization by X-ray diffraction analysis shows that the asymmetric unit contains half of a centrosymmetric molecule. The macrocyclic ligand in the compound adopts the most stable <jats:italic>trans<\/jats:italic>-III conformation. The Cu\u2014N distances of 2.015\u2005(3) and 2.047\u2005(3)\u2005\u00c5 are normal, but the long axial Cu\u2014O bond of 2.795\u2005(3)\u2005\u00c5 may be due to a combination of the Jahn\u2013Teller effect and the strong in-plane ligand field. The crystal structure is stabilized by hydrogen bonding between secondary N\u2014H groups, the N atoms of the macrocycle and the O atoms of the perchlorate anions. Hirshfeld surface analysis with 2D (two-dimensional) fingerprint plots indicates that the main contributions to the crystal packing are from H...H (58.0%) and H...O\/O...H (41.9%) interactions. Electron paramagnetic resonance (EPR) properties are also described.<\/jats:p>","DOI":"10.1107\/s2053229619005588","type":"journal-article","created":{"date-parts":[[2019,5,14]],"date-time":"2019-05-14T15:03:23Z","timestamp":1557846203000},"page":"616-622","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":5,"title":["Synthesis, structural characterization, EPR spectroscopy and Hirshfeld surface analysis of a novel Cu<sup>2+<\/sup>-doped 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0<sup>7,12<\/sup>]docosane bis(perchlorate)"],"prefix":"10.1107","volume":"75","author":[{"given":"Jan","family":"Moncol","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Milan","family":"Maz\u00far","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Marian","family":"Valko","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5109-771X","authenticated-orcid":true,"given":"Jong-Ha","family":"Choi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2019,5,14]]},"container-title":["Acta Crystallographica Section C Structural Chemistry"],"original-title":[],"link":[{"URL":"http:\/\/journals.iucr.org\/c\/issues\/2019\/06\/00\/yf3174\/yf3174.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/journals.iucr.org\/c\/issues\/2019\/06\/00\/yf3174\/yf3174.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,13]],"date-time":"2025-01-13T10:17:30Z","timestamp":1736763450000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2053229619005588"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,5,14]]},"references-count":0,"journal-issue":{"issue":"6","published-online":{"date-parts":[[2019,6]]}},"alternative-id":["S2053229619005588"],"URL":"https:\/\/doi.org\/10.1107\/s2053229619005588","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S2053229619005588\/yf3174sup1.cif","asserted-by":"subject"}]},"ISSN":["2053-2296"],"issn-type":[{"value":"2053-2296","type":"electronic"}],"subject":[],"published":{"date-parts":[[2019,5,14]]},"assertion":[{"value":"Acta Crystallographica Section C: Structural Chemistry","order":0,"name":"journal","label":"Publication","explanation":{"URL":"http:\/\/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":"http:\/\/scripts.iucr.org\/cgi-bin\/citedin?yf3174","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":"26 March 2019","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"23 April 2019","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"14 May 2019","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":"http:\/\/scripts.iucr.org\/cgi-bin\/sendsup?yf3174"}},{"value":"\u00a9 2019 International Union of Crystallography","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licensing","label":"Copyright and licencing"}}]}}