title: Self-assembly synthesis, structure, topology, and magnetic properties of a mononuclear Fe(iii)-violurate derivative: a combined experimental and theoretical study.
abstract: A new iron(iii) complex [Fe(H2Vi)3]·py·4H2O (1) {H3Vi = violuric acid, py = pyridine} was self-assembled and characterized. In the crystal structure, adjacent [Fe(H2Vi)3] blocks are H-bonded into a complex 3D network, which was topologically classified as a pcu [alpha-Po primitive cubic] network. Importance of π-stacking interactions was also highlighted and analyzed computationally. Magnetic studies confirmed antiferromagnetic exchange coupling, while ZFCM/FCM experiments indicated an ordering temperature Tc= 50 K. Finally, magnetic hysteresis at 5 K possesses the coercive field of Bc= 69 mT.
authors.affiliation: Department of Chemistry, National Institute of Technology (NIT) Agartala, Pin 799046, Tripura, India.
authors.forename: Rupak
authors.initials: R
authors.lastname: Banik
authors.affiliation: Department of Chemistry, National Institute of Technology (NIT) Agartala, Pin 799046, Tripura, India.
authors.forename: Subhadip
authors.identifier: http://orcid.org/0000-0002-0097-6113
authors.initials: S
authors.lastname: Roy
authors.affiliation: Institute of Inorganic Chemistry, FCHPT, Slovak University of Technology, 81237 Bratislava, Slovakia.
authors.forename: Ľubor
authors.initials: Ľ
authors.lastname: Dlháň
authors.affiliation: Department of Chemistry, FPV, University of SS Cyril and Methodius, 91701 Trnava, Slovakia. jan.titis@ucm.sk roman.boca@stuba.sk.
authors.forename: Ján
authors.initials: J
authors.lastname: Titiš
authors.affiliation: Department of Chemistry, FPV, University of SS Cyril and Methodius, 91701 Trnava, Slovakia. jan.titis@ucm.sk roman.boca@stuba.sk.
authors.forename: Roman
authors.initials: R
authors.lastname: Boča
authors.affiliation: Centro de Química Estrutural, Complexo I, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisbon, Portugal. kirillov@tecnico.ulisboa.pt.
authors.forename: Alexander M
authors.initials: AM
authors.lastname: Kirillov
authors.affiliation: School of Chemistry and the ARC Centre for Convergent Bio-Nano Science and Technology, The University of New South Wales, Sydney, Australia.
authors.forename: Adam D
authors.initials: AD
authors.lastname: Martin
authors.affiliation: Departament de Quimica, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma de Mallorca, Baleares, Spain. toni.frontera@uib.es.
authors.forename: Antonio
authors.initials: A
authors.lastname: Bauza
authors.affiliation: Departament de Quimica, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma de Mallorca, Baleares, Spain. toni.frontera@uib.es.
authors.forename: Antonio
authors.identifier: http://orcid.org/0000-0001-7840-2139
authors.initials: A
authors.lastname: Frontera
authors.affiliation: Departamento de Quimica Inorganica, Facultad de Ciencias, Universidad de Granada, 18071 Granada, Spain.
authors.forename: Antonio
authors.initials: A
authors.lastname: Rodríguez-Diéguez
authors.affiliation: Departamento de Quimica Inorganica, Facultad de Ciencias, Universidad de Granada, 18071 Granada, Spain.
authors.forename: Juan M
authors.initials: JM
authors.lastname: Salas
authors.affiliation: Department of Chemistry, National Institute of Technology (NIT) Patna, Ashok Rajpath, Patna 800005, Bihar, India. subrataorgchem@gmail.com.
authors.forename: Subrata
authors.initials: S
authors.lastname: Das