{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,1,14]],"date-time":"2025-01-14T09:44:07Z","timestamp":1736847847158,"version":"3.33.0"},"reference-count":22,"publisher":"International Union of Crystallography (IUCr)","issue":"11","license":[{"start":{"date-parts":[[2022,10,11]],"date-time":"2022-10-11T00:00:00Z","timestamp":1665446400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2022,10,11]],"date-time":"2022-10-11T00:00:00Z","timestamp":1665446400000},"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":[[2022,10,4]]},"published-print":{"date-parts":[[2022,11,1]]},"abstract":"<jats:p>As a result of the high symmetry of the <jats:italic>Aea<\/jats:italic>2 structure, the asymmetric unit of the title compound, [Fe<jats:sup>II<\/jats:sup>(C<jats:sub>18<\/jats:sub>H<jats:sub>15<\/jats:sub>N<jats:sub>6<\/jats:sub>)<jats:sub>2<\/jats:sub>]\u00b72MeOH, consists of half of a charge-neutral complex molecule and a discrete methanol molecule. The planar anionic tridentate ligand 2-[5-(3,4-dimethylphenyl)-4<jats:italic>H<\/jats:italic>-1,2,4-triazol-3-ato]-6-(1<jats:italic>H<\/jats:italic>-pyrazol-1-yl)pyridine coordinates the Fe<jats:sup>II<\/jats:sup> ion meridionally through the N atoms of the pyrazole, pyridine and triazole groups, forming a pseudo-octahedral coordination sphere of the central ion. The average Fe\u2014N bond distance is 1.955\u2005\u00c5, indicating a low-spin state of the Fe<jats:sup>II<\/jats:sup> ion. Neighbouring cone-shaped molecules, nested into each other, are linked through double weak C\u2014H(pz)...\u03c0(ph') interactions into mono-periodic columns, which are further linked through weak C\u2014H...N\u2032\/C\u2032 interactions into di-periodic layers. No interactions shorter than the sum of the van der Waals radii of the neighbouring layers are observed. Energy framework analysis at the B3LYP\/6\u201331\u2005G(d,p) theory level, performed to quantify the intermolecular interaction energies, reproduces the weak interlayer interactions in contrast to the strong interaction within the layers. Intermolecular contacts were quantified using Hirshfeld surface analysis and two-dimensional fingerprint plots, showing the relative contributions of the contacts to the crystal packing to be H...H 48.5%, H...C\/C...H 28.9%, H...N\/N...H 16.2% and C...C 2.4%.<\/jats:p>","DOI":"10.1107\/s2056989022009744","type":"journal-article","created":{"date-parts":[[2022,10,11]],"date-time":"2022-10-11T07:39:46Z","timestamp":1665473986000},"page":"1107-1112","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Crystal structure of bis{3-(3,4-dimethylphenyl)-5-[6-(1<i>H<\/i>-pyrazol-1-yl)pyridin-2-yl]-4<i>H<\/i>-1,2,4-triazol-4-ido}iron(II) methanol disolvate"],"prefix":"10.1107","volume":"78","author":[{"given":"Kateryna","family":"Znovjyak","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Igor O.","family":"Fritsky","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tatiana Y.","family":"Sliva","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Vladimir M.","family":"Amirkhanov","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sergey O.","family":"Malinkin","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sergiu","family":"Shova","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Maksym","family":"Seredyuk","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2022,10,11]]},"reference":[{"key":"yz2021_bb1","doi-asserted-by":"crossref","first-page":"13535","DOI":"10.1021\/acs.inorgchem.7b02272","volume":"56","author":"Bartual-Murgui","year":"2017","journal-title":"Inorg. 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