{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,21]],"date-time":"2025-09-21T18:13:34Z","timestamp":1758478414213,"version":"3.37.3"},"reference-count":20,"publisher":"International Union of Crystallography (IUCr)","issue":"4","license":[{"start":{"date-parts":[[2018,3,13]],"date-time":"2018-03-13T00:00:00Z","timestamp":1520899200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0\/uk\/legalcode"},{"start":{"date-parts":[[2018,3,13]],"date-time":"2018-03-13T00:00:00Z","timestamp":1520899200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0\/uk\/legalcode"}],"funder":[{"DOI":"10.13039\/100000165","name":"National Science Foundation, Division of Chemistry","doi-asserted-by":"publisher","award":["1362214","1625543"],"award-info":[{"award-number":["1362214","1625543"]}],"id":[{"id":"10.13039\/100000165","id-type":"DOI","asserted-by":"publisher"}]}],"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":[[2018,3,7]]},"published-print":{"date-parts":[[2018,4,1]]},"abstract":"<jats:p>Reported in this contribution are the synthesis and crystal structures of new mono- and bis-phenylacetylides based on Co<jats:sup>III<\/jats:sup>(DMC) (DMC is 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane). Chlorido(5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane)(phenylethynyl)cobalt(III) chloride\u2013acetonitrile\u2013methanol (1\/1\/1), [Co(C<jats:sub>8<\/jats:sub>H<jats:sub>5<\/jats:sub>)Cl(C<jats:sub>12<\/jats:sub>H<jats:sub>28<\/jats:sub>N<jats:sub>4<\/jats:sub>)]Cl\u00b7CH<jats:sub>3<\/jats:sub>CN\u00b7CH<jats:sub>3<\/jats:sub>OH, <jats:bold>1<\/jats:bold>, and (5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane)bis(phenylethynyl)cobalt(III) trifluoromethanesulfonate\u2013dichloromethane (2\/1), [Co(C<jats:sub>8<\/jats:sub>H<jats:sub>5<\/jats:sub>)<jats:sub>2<\/jats:sub>(C<jats:sub>12<\/jats:sub>H<jats:sub>28<\/jats:sub>N<jats:sub>4<\/jats:sub>)]<jats:sub>2<\/jats:sub>(CF<jats:sub>3<\/jats:sub>SO<jats:sub>3<\/jats:sub>)<jats:sub>2<\/jats:sub>\u00b7CH<jats:sub>2<\/jats:sub>Cl<jats:sub>2<\/jats:sub>, <jats:bold>2<\/jats:bold>, were prepared under weak-base conditions in satisfactory yields. Single-crystal X-ray diffraction studies revealed that both <jats:bold>1<\/jats:bold> and <jats:bold>2<\/jats:bold> adopt a pseudo-octahedral symmetry in which the Cl\u2014Co\u2014C angles of <jats:bold>1<\/jats:bold> and C\u2014Co\u2014C of <jats:bold>2<\/jats:bold> range from 177.7\u2005(2) to 178.0\u2005(2)\u00b0 and from 177.67\u2005(9) to 179.67\u2005(9)\u00b0, respectively. In both structures, the Co<jats:sup>III<\/jats:sup> metal center is coordinated in the equatorial plane by four N atoms, in which the N\u2014Co\u2014N angles range from 85.6\u2005(3) to 94.4\u2005(3)\u00b0. The structure of <jats:bold>1<\/jats:bold> features two crystallographically independent molecules in its triclinic cell (<jats:italic>Z<\/jats:italic>\u2032 = 2), which are related to each other by pseudo-monoclinic symmetry. The crystal investigated was twinned by a symmetry operator of the approximate double-volume <jats:italic>C<\/jats:italic>-centered cell (180\u00b0 rotation around [201] of the actual triclinic cell), with a refined twin ratio of 0.798\u2005(3) to 0.202\u2005(3). Both methanol solvent molecules in <jats:bold>1<\/jats:bold> are disordered, the major occupancy rates refined to 0.643\u2005(16) and 0.357\u2005(16). Compound <jats:bold>2<\/jats:bold> also contains two molecules in the asymmetric unit, together with two trifluoromethanesulfonate anions [of which one is disordered; occupancy values of 0.503\u2005(16) and 0.497\u2005(16)] and a disordered dichloromethane [occupancy values of 0.545\u2005(12) and 0.455\u2005(12)].<\/jats:p>","DOI":"10.1107\/s2056989018003997","type":"journal-article","created":{"date-parts":[[2018,3,13]],"date-time":"2018-03-13T09:38:51Z","timestamp":1520933931000},"page":"522-529","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":3,"title":["Crystal structures of 5,12-dimethyl-1,4,8,11-tetraazacyclotetradecane cobalt(III) mono-phenylacetylide and bis-phenylacetylide"],"prefix":"10.1107","volume":"74","author":[{"given":"Benjamin M.","family":"Oxley","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Brandon","family":"Mash","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3305-852X","authenticated-orcid":true,"given":"Matthias","family":"Zeller","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Susannah","family":"Banziger","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tong","family":"Ren","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2018,3,13]]},"reference":[{"key":"vm2209_bb1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.jorganchem.2015.09.001","volume":"799-800","author":"Banziger","year":"2015","journal-title":"J. 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