000060602 001__ 60602
000060602 005__ 20170504094306.0
000060602 0247_ $$2doi$$a10.1107/S2052520614003023
000060602 0248_ $$2sideral$$a86956
000060602 037__ $$aART-2014-86956
000060602 041__ $$aeng
000060602 100__ $$0(orcid)0000-0002-8505-5232$$aRodríguez-Velamazán, J.A.
000060602 245__ $$aTemperature- and pressure-dependent structural study of {Fe(pmd) 2[Ag(CN)2 ]2}n spin-crossover compound by neutron Laue diffraction
000060602 260__ $$c2014
000060602 5060_ $$aAccess copy available to the general public$$fUnrestricted
000060602 5203_ $$aThe effect of pressure (up to 0.17 GPa) on the spin-crossover compound {Fe(pmd)2[Ag(CN)2]2}n [orthorhombic isomer (II), pmd = pyrimidine] has been investigated by temperature- and pressure-dependent neutron Laue diffraction and magnetometry. The cooperative high-spin ¿ low-spin transition, centred at ca 180 K at ambient pressure, is shifted to higher temperatures as pressure is applied, showing a moderate sensitivity of the compound to pressure, since the spin transition is displaced by ca 140 K GPa-1. The space-group symmetry (orthorhombic Pccn) remains unchanged over the pressure–temperature (P–T) range studied. The main structural consequence of the high-spin to low-spin transition is the contraction of the distorted octahedral [FeN6] chromophores, being more marked in the axial positions (occupied by the pmd units), than in the equatorial positions (occupied by four [Ag(CN)2]- bridging ligands).
000060602 536__ $$9info:eu-repo/grantAgreement/ES/MICINN/CSD2007-00010$$9info:eu-repo/grantAgreement/ES/MINECO/CTQ2010-18414$$9info:eu-repo/grantAgreement/ES/MINECO/MAT2011-24284$$9info:eu-repo/grantAgreement/ES/MINECO/MAT2011-27233-C02-02
000060602 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/
000060602 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000060602 700__ $$0(orcid)0000-0001-8679-5008$$aCañadillas-Delgado, L.
000060602 700__ $$0(orcid)0000-0002-9687-4903$$aCastro, M.$$uUniversidad de Zaragoza
000060602 700__ $$aMcIntyre, G.J.
000060602 700__ $$aReal, J.A.
000060602 7102_ $$15001$$2065$$aUniversidad de Zaragoza$$bDepartamento de Ciencia y Tecnología de Materiales y Fluidos$$cCiencia de los Materiales e Ingeniería Metalúrgica
000060602 773__ $$g70, 3 (2014), 436-443$$pActa crystallogr., B Struct. sci. cryst. eng. mater.$$tActa Crystallographica Section B-Structural Science Crystal Engineering and Materials$$x2052-5192
000060602 8564_ $$s747136$$uhttps://zaguan.unizar.es/record/60602/files/texto_completo.pdf$$yVersión publicada
000060602 8564_ $$s95693$$uhttps://zaguan.unizar.es/record/60602/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000060602 909CO $$ooai:zaguan.unizar.es:60602$$particulos$$pdriver
000060602 951__ $$a2017-05-04-09:41:37
000060602 980__ $$aARTICLE