{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,1,14]],"date-time":"2025-01-14T05:21:19Z","timestamp":1736832079646,"version":"3.33.0"},"reference-count":47,"publisher":"International Union of Crystallography (IUCr)","issue":"12","license":[{"start":{"date-parts":[[2023,11,21]],"date-time":"2023-11-21T00:00:00Z","timestamp":1700524800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2023,11,21]],"date-time":"2023-11-21T00:00:00Z","timestamp":1700524800000},"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":[[2023,11,14]]},"published-print":{"date-parts":[[2023,12,1]]},"abstract":"<jats:p>Reaction of FeCl<jats:sub>2<\/jats:sub>\u00b74H<jats:sub>2<\/jats:sub>O with KSCN and 3-cyanopyridine (pyridine-3-carbonitrile) in ethanol accidentally leads to the formation of single crystals of Fe(NCS)(Cl)(3-cyanopyridine)<jats:sub>4<\/jats:sub> or [FeCl(NCS)(C<jats:sub>6<\/jats:sub>H<jats:sub>4<\/jats:sub>N<jats:sub>2<\/jats:sub>)<jats:sub>4<\/jats:sub>]. The asymmetric unit of this compound consists of one Fe<jats:sup>II<\/jats:sup> cation, one chloride and one thiocyanate anion that are located on a fourfold rotation axis as well as of one 3-cyanopyridine coligand in a general position. The Fe<jats:sup>II<\/jats:sup> cations are sixfold coordinated by one chloride anion and one terminally N-bonding thiocyanate anion in <jats:italic>trans<\/jats:italic>-positions and four 3-cyanopyridine coligands that coordinate <jats:italic>via<\/jats:italic> the pyridine N atom to the Fe<jats:sup>II<\/jats:sup> cations. The complexes are arranged in columns with the chloride anions, with the thiocyanate anions always oriented in the same direction, which shows the non-centrosymmetry of this structure. No pronounced intermolecular interactions are observed between the complexes. Initially, FeCl<jats:sub>2<\/jats:sub> and KSCN were reacted in a 1:2 ratio, which lead to a sample that contains the title compound as the major phase together with a small amount of an unknown crystalline phase, as proven by powder X-ray diffraction (PXRD). If FeCl<jats:sub>2<\/jats:sub> and KSCN is reacted in a 1:1 ratio, the title compound is obtained as a nearly pure phase. IR investigations reveal that the CN stretching vibration for the thiocyanate anion is observed at 2074\u2005cm<jats:sup>\u22121<\/jats:sup>, and that of the cyano group at 2238\u2005cm<jats:sup>\u22121<\/jats:sup>, which also proves that the anionic ligands are only terminally bonded and that the cyano group is not involved in the metal coordination. Measurements with thermogravimetry and differential thermoanalysis reveal that the title compound decomposes at 169\u00b0C when heated at a rate of 4\u00b0C min<jats:sup>\u22121<\/jats:sup> and that the 3-cyanopyridine ligands are emitted in two separate poorly resolved steps. After the first step, an intermediate compound with the composition Fe(NCS)(Cl)(3-cyanopyridine)<jats:sub>2<\/jats:sub> of unknown structure is formed, for which the CN stretching vibration of the thiocyanate anion is observed at 2025\u2005cm<jats:sup>\u22121<\/jats:sup>, whereas the CN stretching vibration of the cyano group remain constant. This strongly indicates that the Fe<jats:sup>II<\/jats:sup> cations are linked by \u03bc-1,3-bridging thiocyanate anions into chains or layers.<\/jats:p>","DOI":"10.1107\/s205698902300988x","type":"journal-article","created":{"date-parts":[[2023,11,21]],"date-time":"2023-11-21T08:38:33Z","timestamp":1700555913000},"page":"1173-1178","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Synthesis, crystal structure and properties of chloridotetrakis(pyridine-3-carbonitrile)thiocyanatoiron(II)"],"prefix":"10.1107","volume":"79","author":[{"given":"Asmus","family":"M\u00fcller-Meinhard","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Inke","family":"Jess","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Christian","family":"N\u00e4ther","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2023,11,21]]},"reference":[{"key":"nx2002_bb1","doi-asserted-by":"crossref","first-page":"134262","DOI":"10.1016\/j.molstruc.2022.134262","volume":"1273","author":"Al-Assy","year":"2023","journal-title":"J. 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