{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,5]],"date-time":"2026-03-05T11:12:04Z","timestamp":1772709124598,"version":"3.50.1"},"reference-count":37,"publisher":"International Union of Crystallography (IUCr)","issue":"1","license":[{"start":{"date-parts":[[2026,1,1]],"date-time":"2026-01-01T00:00:00Z","timestamp":1767225600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2026,1,1]],"date-time":"2026-01-01T00:00:00Z","timestamp":1767225600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"funder":[{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["JP23K04895"],"award-info":[{"award-number":["JP23K04895"]}],"id":[{"id":"10.13039\/501100001691","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":[[2025,12,4]]},"published-print":{"date-parts":[[2026,1,1]]},"abstract":"<jats:p>\n                    The title compound, [Fe(C\n                    <jats:sub>21<\/jats:sub>\n                    H\n                    <jats:sub>13<\/jats:sub>\n                    N\n                    <jats:sub>3<\/jats:sub>\n                    S)(CO)(PMe\n                    <jats:sub>3<\/jats:sub>\n                    )\n                    <jats:sub>2<\/jats:sub>\n                    ] (\n                    <jats:bold>2<\/jats:bold>\n                    ), bearing a 3-(dibenzo[\n                    <jats:italic>b<\/jats:italic>\n                    ,\n                    <jats:italic>d<\/jats:italic>\n                    ]thiophen-4-yl)-6-(pyridin-2-yl)pyridazine ligand was obtained by the reaction of [Fe(C\n                    <jats:sub>21<\/jats:sub>\n                    H\n                    <jats:sub>13<\/jats:sub>\n                    N\n                    <jats:sub>3<\/jats:sub>\n                    S)(CO)\n                    <jats:sub>3<\/jats:sub>\n                    ] (\n                    <jats:bold>1<\/jats:bold>\n                    ) with [Fe(PMe\n                    <jats:sub>3<\/jats:sub>\n                    )\n                    <jats:sub>4<\/jats:sub>\n                    ]. Crystal structure analysis of\n                    <jats:bold>2<\/jats:bold>\n                    revealed that the\n                    <jats:italic>N<\/jats:italic>\n                    ,\n                    <jats:italic>N<\/jats:italic>\n                    -bidentate and three monodentate ligands form a five-coordinate square-pyramidal geometry around Fe, which differs from the trigonal\u2013bipyramidal geometry observed in\n                    <jats:bold>1<\/jats:bold>\n                    . The steric and electronic factors were investigated by combining crystal structure and density functional theory (DFT) calculations. Compared with CO, the better \u03c3 donor properties of PMe\n                    <jats:sub>3<\/jats:sub>\n                    induce the square-pyramidal geometry of\n                    <jats:bold>2<\/jats:bold>\n                    , and a significant \u03c0-back-bonding interaction was confirmed between Fe and the pyridazine moiety.\n                  <\/jats:p>","DOI":"10.1107\/s2056989025010953","type":"journal-article","created":{"date-parts":[[2025,12,5]],"date-time":"2025-12-05T12:02:45Z","timestamp":1764936165000},"page":"61-66","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Synthesis, crystal structure and DFT study of carbonyl[3-(dibenzo[\n                    <i>b<\/i>\n                    ,\n                    <i>d<\/i>\n                    ]thiophen-4-yl)-6-(pyridin-2-yl-\u03ba\n                    <i>N<\/i>\n                    )pyridazine-\u03ba\n                    <i>N<\/i>\n                    <sup>1<\/sup>\n                    ]bis(trimethylphosphane)iron(0)"],"prefix":"10.1107","volume":"82","author":[{"given":"Ryota","family":"Futaki","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Noriko","family":"Chikaraishi Kasuga","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9010-1945","authenticated-orcid":true,"given":"Masakazu","family":"Hirotsu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2026,1,1]]},"reference":[{"key":"jp2020_bb1","doi-asserted-by":"crossref","first-page":"1349","DOI":"10.1039\/DT9840001349","author":"Addison","year":"1984","journal-title":"J. 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