{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,2,21]],"date-time":"2025-02-21T21:48:54Z","timestamp":1740174534195,"version":"3.37.3"},"reference-count":21,"publisher":"International Union of Crystallography (IUCr)","issue":"7","license":[{"start":{"date-parts":[[2019,6,21]],"date-time":"2019-06-21T00:00:00Z","timestamp":1561075200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2019,6,21]],"date-time":"2019-06-21T00:00:00Z","timestamp":1561075200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"funder":[{"DOI":"10.13039\/501100002850","name":"Fondo Nacional de Desarrollo Cient\u00edfico y Tecnol\u00f3gico","doi-asserted-by":"publisher","award":["1160546","3170100","ACT1404"],"award-info":[{"award-number":["1160546","3170100","ACT1404"]}],"id":[{"id":"10.13039\/501100002850","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":[[2019,6,5]]},"published-print":{"date-parts":[[2019,7,1]]},"abstract":"<jats:p>The coordination of the ligands with respect to the central atom in the complex bromidotricarbonyl[diphenyl(pyridin-2-yl)phosphane-\u03ba<jats:sup>2<\/jats:sup>\n                  <jats:italic>N<\/jats:italic>,<jats:italic>P<\/jats:italic>]rhenium(I) chloroform disolvate, [ReBr(C<jats:sub>17<\/jats:sub>H<jats:sub>14<\/jats:sub>NP)(CO)<jats:sub>3<\/jats:sub>]\u00b72CHCl<jats:sub>3<\/jats:sub> or [\u03ba<jats:sup>2<\/jats:sup>-<jats:italic>P<\/jats:italic>,<jats:italic>N<\/jats:italic>-{(C<jats:sub>6<\/jats:sub>H<jats:sub>5<\/jats:sub>)<jats:sub>2<\/jats:sub>(C<jats:sub>5<\/jats:sub>H<jats:sub>5<\/jats:sub>N)P}Re(CO)<jats:sub>3<\/jats:sub>Br]\u00b72CHCl<jats:sub>3<\/jats:sub>, (<jats:bold>I<\/jats:bold>\u00b72CHCl<jats:sub>3<\/jats:sub>), is best described as a distorted octahedron with three carbonyls in a facial conformation, a bromide atom, and a biting <jats:italic>P<\/jats:italic>,<jats:italic>N<\/jats:italic>-diphenylpyridylphosphine ligand. Hirshfeld surface analysis shows that C\u2014Cl...H interactions contribute 26%, the distance of these interactions are between 2.895 and 3.213\u2005\u00c5. The reaction between <jats:bold>I<\/jats:bold> and piperidine (C<jats:sub>5<\/jats:sub>H<jats:sub>11<\/jats:sub>N) at 313\u2005K in dichloromethane leads to the partial decoordination of the pyridylphosphine ligand, whose pyridyl group is replaced by a piperidine molecule, and the complex bromidotricarbonyl[diphenyl(pyridin-2-yl)phosphane-\u03ba<jats:italic>P<\/jats:italic>](piperidine-\u03ba<jats:italic>N<\/jats:italic>)rhenium(I), [ReBr(C<jats:sub>5<\/jats:sub>H<jats:sub>11<\/jats:sub>N)(C<jats:sub>17<\/jats:sub>H<jats:sub>14<\/jats:sub>NP)(CO)<jats:sub>3<\/jats:sub>] or [<jats:italic>P<\/jats:italic>-{(C<jats:sub>6<\/jats:sub>H<jats:sub>5<\/jats:sub>)<jats:sub>2<\/jats:sub>(C<jats:sub>5<\/jats:sub>H<jats:sub>5<\/jats:sub>N)P}(C<jats:sub>5<\/jats:sub>H<jats:sub>11<\/jats:sub>N)Re(CO)<jats:sub>3<\/jats:sub>Br] (<jats:bold>II<\/jats:bold>). The molecule has an intramolecular N\u2014H...N hydrogen bond between the non-coordinated pyridyl nitrogen atom and the amine hydrogen atom from piperidine with <jats:italic>D<\/jats:italic>...<jats:italic>A<\/jats:italic> = 2.992\u2005(9)\u2005\u00c5. Thermogravimetry shows that <jats:bold>I<\/jats:bold>\u00b72CHCl<jats:sub>3<\/jats:sub> losses 28% of its mass in a narrow range between 318 and 333\u2005K, which is completely consistent with two solvating chloroform molecules very weakly bonded to <jats:bold>I<\/jats:bold>. The remaining <jats:bold>I<\/jats:bold> is stable at least to 573\u2005K. In contrast, <jats:bold>II<\/jats:bold> seems to lose solvent and piperidine (12% of mass) between 427 and 463\u2005K, while the additional 33% loss from this last temperature to 573\u2005K corresponds to the release of 2-pyridylphosphine. The contribution to the scattering from highly disordered solvent molecules in <jats:bold>II<\/jats:bold> was removed with the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9-18] in <jats:italic>PLATON<\/jats:italic>. The stated crystal data for <jats:italic>M<\/jats:italic>\n                  <jats:sub>r<\/jats:sub>, \u03bc <jats:italic>etc<\/jats:italic>. do not take this solvent into account.<\/jats:p>","DOI":"10.1107\/s2056989019008089","type":"journal-article","created":{"date-parts":[[2019,6,21]],"date-time":"2019-06-21T08:35:46Z","timestamp":1561106146000},"page":"1005-1010","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":1,"title":["Crystal structures and Hirshfeld surface analysis of [\u03ba<sup>2<\/sup>-<i>P<\/i>,<i>N<\/i>-{(C<sub>6<\/sub>H<sub>5<\/sub>)<sub>2<\/sub>(C<sub>5<\/sub>H<sub>5<\/sub>N)P}Re(CO)<sub>3<\/sub>Br]\u00b72CHCl<sub>3<\/sub> and the product of its reaction with piperidine, [<i>P<\/i>-{(C<sub>6<\/sub>H<sub>5<\/sub>)<sub>2<\/sub>(C<sub>5<\/sub>H<sub>5<\/sub>N)P}(C<sub>5<\/sub>H<sub>11<\/sub>N)Re(CO)<sub>3<\/sub>Br]"],"prefix":"10.1107","volume":"75","author":[{"given":"Franco","family":"Palominos","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Carolina","family":"Mu\u00f1oz","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Poldie","family":"Oyarzun","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Marianela","family":"Sald\u00edas","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6501-4161","authenticated-orcid":true,"given":"Andr\u00e9s","family":"Vega","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2019,6,21]]},"reference":[{"key":"nk2249_bb1","doi-asserted-by":"crossref","first-page":"2995","DOI":"10.1016\/S0277-5387(99)00216-8","volume":"18","author":"Abram","year":"1999","journal-title":"Polyhedron"},{"key":"nk2249_bb2","unstructured":"Bruker (2012). 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