000063018 001__ 63018
000063018 005__ 20201113085627.0
000063018 0247_ $$2doi$$a10.1107/S2053229617010841
000063018 0248_ $$2sideral$$a101639
000063018 037__ $$aART-2017-101639
000063018 041__ $$aeng
000063018 100__ $$0(orcid)0000-0002-9687-4903$$aCastro, Miguel$$uUniversidad de Zaragoza
000063018 245__ $$aA phase transition caught in mid-course: Independent and concomitant analyses of the monoclinic and triclinic structures of (nBu4N)[Co(orotate)2(bipy)]·3H2O
000063018 260__ $$c2017
000063018 5060_ $$aAccess copy available to the general public$$fUnrestricted
000063018 5203_ $$aThe preparation and characterization of the nBu4N+ salts of two bis-orotate(2-) complexes of cobalt, namely bis(tetra-n-butylammonium) diaquabis(2, 4-dioxo-1, 2, 3, 4-Tetrahydropyrimidin-1-ide-6-carboxylato-¿2N1, O6)cobalt(II) 1.8-hydrate, (C16H36N)2[Co(C5H2N2O4)2(H2O)2]·1.8H2O, (1), and tetra-n-butylammonium (2, 2'-bipyridine-¿2N, N')bis(2, 4-dioxo-1, 2, 3, 4-Tetrahydropyrimidin-1-ide-6-carboxylato-¿2N1, O6)cobalt(III) trihydrate, (C16H36N)[Co(C5H2N2O4)2(C10H8N2)]·3H2O, (2), are reported. The CoIII complex, (2), which is monoclinic at room temperature, presents a conservative single-crystal-To-single-crystal phase transition below 200bK, producing a triclinic twin. The transition, which involves a conformational change in one of the nBu groups of the cation, is reversible and can be cycled. Both end phases have been characterized structurally and the system was also characterized structurally in a two-phase intermediate state, using single-crystal diffraction techniques, with both the monoclinic and triclinic phases present. Thermal analysis allows a rough estimate of the small energy content, viz. 0.25bkJbmol-1, for both the monoclinic-To-Triclinic transformation and the reverse transition, in agreement with the nature of the structural changes involving only the nBu4N+ cation.Repeated cycling through a reversible order-disorder phase transition in a crystal of a cobalt orotate complex produces an arrested transformation, leaving the sample with both triclinic and monoclinic domains. Independent determinations of the two structures were carried out from single-phase samples and the partial transition permitted simultaneous structure determination of the two phases at a temperature at which one of them is not expected to exist independently.
000063018 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E16$$9info:eu-repo/grantAgreement/ES/MINECO/MAT2015-68200-C2-1-P
000063018 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000063018 590__ $$a8.678$$b2017
000063018 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b20 / 171 = 0.117$$c2017$$dQ1$$eT1
000063018 591__ $$aCRYSTALLOGRAPHY$$b1 / 26 = 0.038$$c2017$$dQ1$$eT1
000063018 592__ $$a0.834$$b2017
000063018 593__ $$aCondensed Matter Physics$$c2017$$dQ1
000063018 593__ $$aInorganic Chemistry$$c2017$$dQ1
000063018 593__ $$aMaterials Chemistry$$c2017$$dQ1
000063018 593__ $$aMedicine (miscellaneous)$$c2017$$dQ2
000063018 593__ $$aPhysical and Theoretical Chemistry$$c2017$$dQ2
000063018 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000063018 700__ $$0(orcid)0000-0002-0444-996X$$aFalvello, Larry R.$$uUniversidad de Zaragoza
000063018 700__ $$0(orcid)0000-0001-8461-6846$$aForcén-Vázquez, Elena
000063018 700__ $$aGuerra, Pablo
000063018 700__ $$aAl-Kenany, Nuha A.
000063018 700__ $$0(orcid)0000-0001-7872-6301$$aMartínez, Gema$$uUniversidad de Zaragoza
000063018 700__ $$aTomás, Milagros
000063018 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDpto. Química Inorgánica$$cÁrea Química Inorgánica
000063018 7102_ $$15005$$2555$$aUniversidad de Zaragoza$$bDpto. Ing.Quím.Tecnol.Med.Amb.$$cÁrea Ingeniería Química
000063018 7102_ $$15001$$2065$$aUniversidad de Zaragoza$$bDpto. Ciencia Tecnol.Mater.Fl.$$cÁrea Cienc.Mater. Ingen.Metal.
000063018 773__ $$g73, 9 (2017), 731-742$$pActa crystallogr., C Struct. chem.$$tActa Crystallographica Section C-Structural Chemistry$$x2053-2296
000063018 8564_ $$s2198018$$uhttps://zaguan.unizar.es/record/63018/files/texto_completo.pdf$$yVersión publicada
000063018 8564_ $$s86695$$uhttps://zaguan.unizar.es/record/63018/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000063018 909CO $$ooai:zaguan.unizar.es:63018$$particulos$$pdriver
000063018 951__ $$a2020-11-13-08:46:42
000063018 980__ $$aARTICLE