{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,30]],"date-time":"2026-07-30T16:17:19Z","timestamp":1785428239862,"version":"3.56.0"},"reference-count":27,"publisher":"International Union of Crystallography (IUCr)","issue":"7","license":[{"start":{"date-parts":[[2024,6,11]],"date-time":"2024-06-11T00:00:00Z","timestamp":1718064000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2024,6,11]],"date-time":"2024-06-11T00:00:00Z","timestamp":1718064000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"funder":[{"DOI":"10.13039\/100000001","name":"National Science Foundation","doi-asserted-by":"publisher","award":["MRI CHE0319176"],"award-info":[{"award-number":["MRI CHE0319176"]}],"id":[{"id":"10.13039\/100000001","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100007472","name":"University of Kentucky","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100007472","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":[[2024,6,6]]},"published-print":{"date-parts":[[2024,7,1]]},"abstract":"<jats:p>\n                    The synthesis, crystal structure, and a Hirshfeld surface analysis of tris{\n                    <jats:italic>N<\/jats:italic>\n                    ,\n                    <jats:italic>N<\/jats:italic>\n                    -diethyl-\n                    <jats:italic>N<\/jats:italic>\n                    \u2032-[(4-nitrophenyl)(oxo)methyl]carbamimidothioato}cobalt(III) conducted at 180\u2005K are presented. The complex consists of three\n                    <jats:italic>N<\/jats:italic>\n                    ,\n                    <jats:italic>N<\/jats:italic>\n                    -diethyl-\n                    <jats:italic>N<\/jats:italic>\n                    \u2032-[(4-nitrobenzene)(oxo)methyl]carbamimidothioato ligands, threefold symmetrically bonded about the Co\n                    <jats:sup>III<\/jats:sup>\n                    ion, in approximately octahedral coordination, which generates a triple of individually near planar metallacyclic (Co\u2014S\u2014C\u2014N\u2014C\u2014O) rings. The overall geometry of the complex is determined by the mutual orientation of each metallacycle about the crystallographically imposed threefold axis [dihedral angles = 81.70\u2005(2)\u00b0] and by the dihedral angles between the various planar groups within each asymmetric unit [metallacycle to benzene ring = 13.83\u2005(7)\u00b0; benzene ring to nitro group = 17.494\u2005(8)\u00b0]. The complexes stack in anti-parallel columns about the \\overline{3} axis of the space group (\n                    <jats:italic>P<\/jats:italic>\n                    \\overline{3}), generating solvent-accessible channels along [001]. These channels contain ill-defined, multiply disordered, partial-occupancy solvent. Atom\u2013atom contacts in the crystal packing predominantly (\u223c96%) involve hydrogen, the most abundant types being H...H (36.6%), H...O (31.0%), H...C (19.2%), H...N (4.8%), and H...S (4.4%).\n                  <\/jats:p>","DOI":"10.1107\/s2056989024005449","type":"journal-article","created":{"date-parts":[[2024,6,10]],"date-time":"2024-06-10T00:55:31Z","timestamp":1717980931000},"page":"713-716","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":1,"title":["Crystal structure of tris{\n                    <i>N<\/i>\n                    ,\n                    <i>N<\/i>\n                    -diethyl-\n                    <i>N<\/i>\n                    \u2032-[(4-nitrophenyl)(oxo)methyl]carbamimidothioato}cobalt(III)"],"prefix":"10.1107","volume":"80","author":[{"given":"Lee","family":"Roecker","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/01epvyf46","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5777-3918","authenticated-orcid":true,"given":"Sean","family":"Parkin","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/02k3smh20","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2024,6,11]]},"reference":[{"key":"nx2011_bb1","doi-asserted-by":"crossref","first-page":"119019","DOI":"10.1016\/j.ica.2019.119019","volume":"495","author":"Barnard","year":"2019","journal-title":"Inorg. 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