{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,21]],"date-time":"2025-09-21T17:23:46Z","timestamp":1758475426375,"version":"3.33.0"},"reference-count":36,"publisher":"International Union of Crystallography (IUCr)","issue":"11","license":[{"start":{"date-parts":[[2016,10,5]],"date-time":"2016-10-05T00:00:00Z","timestamp":1475625600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2016,10,5]],"date-time":"2016-10-05T00:00:00Z","timestamp":1475625600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"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"],"published-print":{"date-parts":[[2016,11,1]]},"abstract":"<jats:p>Hydrotris(pyrazolyl)borate (Tp) ligands, also known as scorpionates, are potent tridentate donors that effectively bind metal ions in a face-capping array. Hydrotris(3-phenylpyrazolyl)borate enforces a tetrahedral environment on Ni<jats:sup>II<\/jats:sup>to model metalloenzymes. The syntheses and structural characterizations of a number of [hydrotris(3-phenylpyrazolyl)borato]nickel(II) aryloxides were performed to provide insight into the environment of the model active site; these compounds are chlorido[hydrotris(3-phenylpyrazolyl-\u03ba<jats:italic>N<\/jats:italic><jats:sup>2<\/jats:sup>)borato](3-phenyl-1<jats:italic>H<\/jats:italic>-pyrazole-\u03ba<jats:italic>N<\/jats:italic><jats:sup>2<\/jats:sup>)nickel(II) chloroform monosolvate, [Ni(C<jats:sub>27<\/jats:sub>H<jats:sub>22<\/jats:sub>BN<jats:sub>6<\/jats:sub>)Cl(C<jats:sub>9<\/jats:sub>H<jats:sub>8<\/jats:sub>N<jats:sub>2<\/jats:sub>)]\u00b7CHCl<jats:sub>3<\/jats:sub>, (2), [hydrotris(3-phenylpyrazolyl-\u03ba<jats:italic>N<\/jats:italic><jats:sup>2<\/jats:sup>)borato](phenolato-\u03ba<jats:italic>O<\/jats:italic>)nickel(II), [Ni(C<jats:sub>27<\/jats:sub>H<jats:sub>22<\/jats:sub>BN<jats:sub>6<\/jats:sub>)(C<jats:sub>6<\/jats:sub>H<jats:sub>5<\/jats:sub>O)], (3), (2,6-dimethylphenolato-\u03ba<jats:italic>O<\/jats:italic>)[hydrotris(3-phenylpyrazolyl-\u03ba<jats:italic>N<\/jats:italic><jats:sup>2<\/jats:sup>)borato]nickel(II) [Ni(C<jats:sub>27<\/jats:sub>H<jats:sub>22<\/jats:sub>BN<jats:sub>6<\/jats:sub>)(C<jats:sub>8<\/jats:sub>H<jats:sub>9<\/jats:sub>O)], (4), (4-<jats:italic>tert<\/jats:italic>-butylphenolato-\u03ba<jats:italic>O<\/jats:italic>)[hydrotris(3-phenylpyrazolyl-\u03ba<jats:italic>N<\/jats:italic><jats:sup>2<\/jats:sup>)borato]nickel(II), [Ni(C<jats:sub>27<\/jats:sub>H<jats:sub>22<\/jats:sub>BN<jats:sub>6<\/jats:sub>)(C<jats:sub>10<\/jats:sub>H<jats:sub>13<\/jats:sub>O)], (5), and [hydrotris(3-phenylpyrazolyl-\u03ba<jats:italic>N<\/jats:italic><jats:sup>2<\/jats:sup>)borato](phenolato-\u03ba<jats:italic>O<\/jats:italic>)(tetrahydrofuran-\u03ba<jats:italic>O<\/jats:italic>)nickel(II) tetrahydrofuran monosolvate, [Ni(C<jats:sub>27<\/jats:sub>H<jats:sub>22<\/jats:sub>BN<jats:sub>6<\/jats:sub>)(C<jats:sub>6<\/jats:sub>H<jats:sub>5<\/jats:sub>O)(C<jats:sub>4<\/jats:sub>H<jats:sub>8<\/jats:sub>O)]\u00b7C<jats:sub>4<\/jats:sub>H<jats:sub>8<\/jats:sub>O, (6). Alkyl groups,<jats:italic>e.g. tert<\/jats:italic>-butyl in (5) and methyl in (4), electronically activate the aryloxide group to intramolecular \u03c0\u2013\u03c0 stacking but can be frustrated by steric encumbrance at the interacting ring faces. The flexibility at the nickel coordination site, afforded by the uncrowded B atom of the Tp<jats:sup>Ph<\/jats:sup>ligand, allows tetrahydrofuran coordination in the phenolate compound.<\/jats:p>","DOI":"10.1107\/s2053229616001789","type":"journal-article","created":{"date-parts":[[2016,10,6]],"date-time":"2016-10-06T11:02:02Z","timestamp":1475751722000},"page":"791-796","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":4,"title":["Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides"],"prefix":"10.1107","volume":"72","author":[{"given":"William L.","family":"Green","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Eric R.","family":"Sirianni","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Glenn P. 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