{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,2,21]],"date-time":"2025-02-21T21:21:31Z","timestamp":1740172891573,"version":"3.37.3"},"reference-count":24,"publisher":"International Union of Crystallography (IUCr)","issue":"8","license":[{"start":{"date-parts":[[2017,7,27]],"date-time":"2017-07-27T00:00:00Z","timestamp":1501113600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2017,7,27]],"date-time":"2017-07-27T00:00:00Z","timestamp":1501113600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"funder":[{"name":"United States Army Research Office DURIP"},{"name":"the University of Wisconsin\u2013La Crosse Faculty Research Grant Program"},{"name":"the University of Wisconsin\u2013La Crosse Undergraduate Research Grant Program"},{"DOI":"10.13039\/100000002","name":"National Institutes of Health","doi-asserted-by":"publisher","award":["1S10 OD020022-1"],"award-info":[{"award-number":["1S10 OD020022-1"]}],"id":[{"id":"10.13039\/100000002","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003443","name":"Ministry of Education and Science of the Russian Federation","doi-asserted-by":"crossref","award":["02.a03.21.0008"],"award-info":[{"award-number":["02.a03.21.0008"]}],"id":[{"id":"10.13039\/501100003443","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr C Struct Chem","Acta Crystallogr C","Acta Crystallogr C Cryst Struct Commun","Acta Cryst C","Acta Cryst C Struct Chem","Acta Cryst Sect C","Acta Cryst Sect C Struct Chem","Acta Crystallogr Sect C","Acta Crystallogr Sect C Struct Chem","Acta Crystallogr Sect C Cryst Struct Commun"],"accepted":{"date-parts":[[2017,7,21]]},"published-print":{"date-parts":[[2017,8,1]]},"abstract":"<jats:p>The steric and electronic factors that influence which of the two rings of a substituted biphenyl ligand coordinates to chromium are of interest and it has been suggested that haptotropic rearrangements within these molecules may be limited if the arene\u2013arene dihedral angle is too large. Two tricarbonylchromium(0) complexes and their respective free ligands have been characterized by single-crystal X-ray diffraction. In the solid state, tricarbonyl[(1\u2032,2\u2032,3\u2032,4\u2032,5\u2032,6\u2032-\u03b7)-2-fluoro-1,1\u2032-biphenyl]chromium(0), [Cr(C<jats:sub>12<\/jats:sub>H<jats:sub>9<\/jats:sub>F)(CO)<jats:sub>3<\/jats:sub>], (I), exists as the more stable isomer with the nonhalogenated arene ring ligated to the metal center. Similarly, tricarbonyl[(1\u2032,2\u2032,3\u2032,4\u2032,5\u2032,6\u2032-\u03b7)-4-fluoro-1,1\u2032-biphenyl]chromium(0) crystallizes as the more stable isomer with the phenyl ring bonded to the Cr<jats:sup>0<\/jats:sup>center. The arene\u2013arene dihedral angles in these complexes are 55.77\u2005(4) and 52.4\u2005(5)\u00b0, respectively. Structural features of these complexes are compared to those of the DFT-optimized geometries of ten tricarbonyl[(\u03b7<jats:sup>6<\/jats:sup>-C<jats:sub>6<\/jats:sub>H<jats:sub>5<\/jats:sub>)(4-F-C<jats:sub>6<\/jats:sub>H<jats:sub>4<\/jats:sub>)]chromium model complexes. The solid-state structures of the free ligands 2-fluoro-1,1\u2032-biphenyl and 4-fluoro-1,1\u2032-biphenyl, both C<jats:sub>12<\/jats:sub>H<jats:sub>9<\/jats:sub>F, exhibit arene\u2013arene dihedral angles of 54.83\u2005(7) and 0.71\u2005(8)\u00b0, respectively. The molecules of the free ligands occupy crystallographic twofold axes and exhibit positional disorder. Weak intermolecular C\u2014H...F interactions are observed in all four structures.<\/jats:p>","DOI":"10.1107\/s2053229617010774","type":"journal-article","created":{"date-parts":[[2017,7,27]],"date-time":"2017-07-27T16:06:52Z","timestamp":1501171612000},"page":"638-644","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":2,"title":["Intricacies of ligand coordination in tricarbonylchromium(0) complexes with<i>ortho<\/i>- and<i>para<\/i>-fluorobiphenyls"],"prefix":"10.1107","volume":"73","author":[{"given":"Ilia A.","family":"Guzei","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lara C.","family":"Spencer","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sondra C.","family":"Buechel","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Leah B.","family":"Kaufmann","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Curtis J.","family":"Czerwinski","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2017,7,27]]},"reference":[{"key":"yf3123_bb1","unstructured":"Bruker (2003). 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