Author: Ana Labrador

Well-resolved unusual alternating cyclic water tetramers embedded in a crystal host

2008

Infinite network involving two hydrogen-bonded tetrameric water rings (S4 and D2h) in a (4,4)-square grid crystal host

CrystalCrystallographyChemistryQuantitative Biology::Molecular NetworksGeneral Materials ScienceGeneral ChemistryCondensed Matter PhysicsHost (network)CrystEngComm

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Synthesis, crystal structure and magnetic characterization of a series of CuII-LnIII heterometallic [Ln = La, Ce, Pr, Nd and Sm) metal-organic compou…

2013

The synthesis and structural characterization of five Cu(II)-Ln(III) heteronuclear metal-organic frameworks of formula {[Ln4Cu 4(H2O)26(bta)5]·mH 2O}n and {[Ln4Cu4(H 2O)24(bta)5]·pH2O} n [Ln = LaIII (1A/1B), CeIII (2A/2B), Pr III (3A/3B), NdIII (4A/4B) and SmIII (5A/5B) with m/p = 20 (1A)/16 (1B), 18 (2A)/16 (2B), 14 (3A)/16 (3B), 22 (4A)/16 (4B) and 21 (5A)/14 (5B); H4bta =1,2,4,5-benzenetetracarboxylic acid (1-5)] have been performed. These compounds present a single-crystal to single-crystal phase transition from expanded A phases toward the B shrinking networks, which is triggered only in the presence of a dry environment. This phase transition is accompanied by a compression of the cry…

MetalPhase transitionCrystallographyHeteronuclear moleculeChemistryvisual_artCell volumevisual_art.visual_art_mediumGeneral Materials ScienceGeneral ChemistryCrystal structureCondensed Matter PhysicsSingle crystalCrystal Growth and Design

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Low-dimensional copper(II) complexes with the trinucleating ligand 2,4,6-tris(di-2-pyridylamine)-1,3,5-triazine: synthesis, crystal structures, and m…

2010

The preparation and structural characterization of three new copper(II) complexes of formula [Cu(3)(dipyatriz)(2)(H(2)O)(3)](ClO(4))(6) x 2 H(2)O (1), {[Cu(4)(dipyatriz)(2)(H(2)O)(2)(NO(3))(2)(ox)(2)](NO(3))(2) x 2 H(2)O}(n) (2), and [Cu(6)(dipyatriz)(2)(H(2)O)(9)(NO(3))(3)(ox)(3)](NO(3))(3) x 4 H(2)O (3) [dipyatriz = 2,4,6-tris(di-2-pyridylamine)-1,3,5-triazine and ox = oxalate] are reported. The structure of 1 consists of trinuclear units [Cu(3)(dipyatriz)(2)(H(2)O)(3)](6+) and uncoordinated perchlorate anions. The two dipyatriz molecules in 1 act as tris-bidentate ligands with the triazine cores being in a quasi eclipsed conformation. Each copper atom in 1 exhibits a distorted square pyr…

Eclipsed conformationDenticityLigandchemistry.chemical_elementCrystal structureCopperSquare pyramidal molecular geometryInorganic ChemistryPerchloratechemistry.chemical_compoundCrystallographychemistryPhysical and Theoretical ChemistryTriazineInorganic chemistry

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Magnetic coupling in discrete cyano-bridged Mn(III)-Fe(III) motifs: synthesis, crystal structure, magnetic properties and theoretical study.

2010

The preparation, crystal structures and magnetic properties of the heterobimetallic complexes of formula [Mn(III)(n-MeOsalen)(H(2)O)(mu-CN)Fe(III)(bpym)(CN)(3)]·mH(2)O with n = m = 3 (1) and n = 4 and m = 2 (2) [n-MeOsalen(2-) = N,N'-ethylenebis(n-methoxysalicylideneiminate) dianion and bpym = 2,2'-bipyrimidine] are reported. 1 and 2 are dinuclear neutral species where the cyano-bearing low-spin unit [Fe(III)(bpym)(CN)(4)](-) acts as a monodentate ligand towards the [Mn(III)(SB)(solv)(x)](+) entity (SB = tetradentate Schiff-base) through one of its four cyano groups. Adjacent heterobimetallic units are interlinked through hydrogen bonds involving the coordinated water molecule of one dinucl…

Inorganic ChemistryCrystallographyDenticityHydrogen bondChemistryStereochemistryMoleculeAntiferromagnetismDensity functional theoryCrystal structureAtmospheric temperature rangeInductive couplingDalton transactions (Cambridge, England : 2003)

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