{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,1,14]],"date-time":"2025-01-14T05:12:14Z","timestamp":1736831534822,"version":"3.33.0"},"reference-count":24,"publisher":"International Union of Crystallography (IUCr)","issue":"8","license":[{"start":{"date-parts":[[2014,7,19]],"date-time":"2014-07-19T00:00:00Z","timestamp":1405728000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2014,7,19]],"date-time":"2014-07-19T00:00:00Z","timestamp":1405728000000},"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":[[2014,8,15]]},"abstract":"<jats:p>The title compound, [CoCl<jats:sub>2<\/jats:sub>(C<jats:sub>15<\/jats:sub>H<jats:sub>12<\/jats:sub>N<jats:sub>2<\/jats:sub>)<jats:sub>2<\/jats:sub>]\u00b70.5CH<jats:sub>2<\/jats:sub>Cl<jats:sub>2<\/jats:sub>, was crystallized from a binary mixture of dichloromethane and hexane and a dimeric supramolecular structure was isolated. The Co<jats:sup>II<\/jats:sup>centre exhibits a distorted tetrahedral geometry, with two independent pyrazole-based ligands occupying two coordination sites and two chloride ligands occupying the third and fourth coordination sites. The supramolecular structure is supported by complementary hydrogen bonding between the pyrazole NH group and the chloride ligand of an adjacent molecule. This hydrogen-bonding motif yields a ten-membered hydrogen-bonded ring. Density functional theory (DFT) simulations at the PBE\/6-311G level of theory were used to probe the solid-state structure. These simulations suggest that the chelate undergoes a degree of conformational distortion from the lowest-energy geometry to allow for optimal hydrogen bonding in the solid state.<\/jats:p>","DOI":"10.1107\/s2053229614015411","type":"journal-article","created":{"date-parts":[[2014,7,18]],"date-time":"2014-07-18T16:28:45Z","timestamp":1405700925000},"page":"780-783","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":2,"title":["Packing forces in dichloridobis(3,5-diphenyl-1<i>H<\/i>-pyrazole-\u03ba<i>N<\/i><sup>2<\/sup>)cobalt(II) dichloromethane hemisolvate"],"prefix":"10.1107","volume":"70","author":[{"given":"George S.","family":"Nyamato","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Stephen O.","family":"Ojwach","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Matthew P.","family":"Akerman","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2014,7,19]]},"reference":[{"key":"yp3074_bb1","doi-asserted-by":"crossref","first-page":"1528","DOI":"10.1016\/j.jorganchem.2010.12.029","volume":"696","author":"Ainooson","year":"2011","journal-title":"J. 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