Ricardo Baggio

Comisión Nacional de Energía Atómica

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M.T. Garland

University of Chile

173

M.T. Garland

University of Chile

110

Eleonora Freire

Comisión Nacional de Energía Atómica

S. Baggio

National University of Austral Patagonia

A.M. Atria

University of Chile

S. Suárez

Adam Mickiewicz University in Poznań

Mireille Perec

Fundación Ciencias Exactas y Naturales

M.A. Harvey

National University of Patagonia San Juan Bosco

M. Perec

Fundación Ciencias Exactas y Naturales

J. Granifo

Universidad de La Frontera

Cooperative Institutions

Consejo Nacional de Investigaciones Científicas y Técnicas

138

University of Chile

108

University of Buenos Aires

Fundación Ciencias Exactas y Naturales

Centre National de la Recherche Scientifique

Comisión Nacional de Energía Atómica

Universidad de Santiago de Chile

Instituto de Química y Fisicoquímica Biológicas

University of Concepción

Université de Rennes

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Triaquamanganese sulfite revisited

Acta Crystallographica Section C Crystal Structure Communications (2006)

M. Enriqueta Díaz de Vivar S. Baggio M.T. Garland Ricardo Baggio

Orthorhombic Mn(SO3)(H2O)3 has been reinvestigated by single-crystal X-ray diffraction in two possible space groups, viz. P2(1)2(1)2(1) (with all atoms in general positions) and Pnma (with the molecule bisected by a mirror plane). The results confirm the lower symmetry assigned in a previous single-crystal neutron diffraction study. However, the refinement of the P2(1)2(1)2(1) model requires the introduction of racemic twinning and soft positional and displacement restraints for the H atoms. The importance of a scrupulous report on symmetry absence violations as standard policy in crystallographic work is discussed.

10.1107/s0108270106028253

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Citations (4)

CCDC 1003263: Experimental Crystal Structure Determination

The Cambridge Structural Database (2015)

S. Yousef Ebrahimipour Iran Sheikhshoaie Maryam Mohamadi S. Suárez Ricardo Baggio

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/cc12nzb1

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Citations (0)

CCDC 1002464: Experimental Crystal Structure Determination

The Cambridge Structural Database (2014)

Mariana Dennehy Ricardo M. Ferullo Eleonora Freire Ricardo Baggio

Crystal (programming language)

10.5517/cc12n4kf

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Single Crystal EPR of the Mixed-Ligand Complex of Copper(II) with l-Glutamic Acid and 1,10-Phenanthroline: A Study on the Narrowing of the Hyperfine Structure by Exchange

The Journal of Physical Chemistry A (2012)

Nicolás I. Neuman Vanina G. Franco Félix M. Ferroni Ricardo Baggio M.C.G. Passeggi

We report an EPR study at X- and Q-bands of polycrystalline and single crystal samples of the mixed copper(II) complex with L-glutamic acid (glu) and 1,10-phenantroline (phen), [Cu(glu)(phen)(H(2)O)](+) NO(3)(-)·2(H(2)O). The polycrystalline sample spectrum at Q-band showed well resolved g(∥ )and g(⊥) features and partially solved hyperfine structure at g(∥), typical for weakly exchange coupled systems. This is confirmed from the angular variation of the EPR spectra which shows for certain magnetic field orientations a partially solved hyperfine structure characteristic of weak exchange, whereas a single Lorentzian line corresponding to strong exchange is observed for others. Analysis and simulation of the single crystal EPR spectra were performed using the random frequency modulation model of Anderson. Numerical simulations of the angular variation of the EPR spectra showed that the narrowing of the hyperfine structure is due to an exchange-mediated mechanism in which transitions between any pair of lines are equally likely. The exchange interaction responsible for this process is mediated by hydrophobic interactions between two phen molecules and a mixed chemical path of the type CuA-O(ap)H···O-C-O(eq)-CuB, for which we evaluated an average isotropic exchange parameter |J| ≈ 25 × 10(-4) cm(-1).

Exchange interaction

10.1021/jp308745e

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Citations (34)

CCDC 994191: Experimental Crystal Structure Determination

The Cambridge Structural Database (2014)

M.A. Harvey S. Suárez F. Doctorovich Fabio D. Cukiernik Ricardo Baggio

10.5517/cc12cjpn

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N,N'-Dicyclohexyldithiooxamide

Acta Crystallographica Section C Crystal Structure Communications (1995)

M. Perec Ricardo Baggio M.T. Garland

The crystal structure determination of N,N'-dicyclo-hexyldithiooxamide, C 14 H 24 N 2 S 2 , has confirmed the trans conformation for the molecule. The C-S an C-N bond lengths indicate that the molecule consists of two coupled thioamide functions (S-C-N), where net delocalization of π electrons occurs, bonded through a single C-C bond.

10.1107/s0108270195006391

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Citations (3)

Bis[chlorobis(1,10-phenanthroline-N,N′)(thiourea-S)nickel(II)] chloride nitrate diethanol solvate

Acta Crystallographica Section C Crystal Structure Communications (2000)

Leopoldo Suescun Álvaro W. Mombrú R.A. Mariezcurrena Helena Pardo Silvia Russi

The crystal structure of the title compound, [NiCl(C12H8N2)2(CH4N2S)]2(NO3)Cl·2C2H6O, is formed by [Ni(phen)2(thiourea)Cl]+ cations (phen = 1,10-phenanthroline), chloride and nitrate counter-ions, and ethanol solvate molecules. The Ni atom is octahedrally coordinated to two bidentate phen ligands, a monodentate thiourea and a chloride ion. Both the chloride and nitrate anions, which provide charge balance, are located at special positions on a twofold symmetry axis. Hydrogen bonds play a key role in the packing and conformation of the cation and create a three-dimensional network.

Thio-

Phenanthroline

10.1107/s0108270199014833

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Citations (2)

Aqua(2,2'-bipyridyl-N,N')(thiodiacetato-O,O',S)zinc(II) Tetrahydrate

Acta Crystallographica Section C Crystal Structure Communications (1996)

Ricardo Baggio M. Perec M.T. Garland

The title complex, aqua(2,2′-bipyridyl-N,N')(3-thiapentanedioate-O,S,O′)zinc(II) tetrahydrate, [Zn(C4H4O4S)(C10H8N2)(H2O)].4H2O, is mononuclear with a coordination sphere consisting of one S, two N and three O atoms. The Zn atom is linked to a tridentate thiodiacetate ligand, a bidentate 2,2′-bipyridine ligand and an aquo ligand resulting in a slightly distorted octahedral coordination geometry. The molecular units in the crystal are linked together by an extensive hydrogen-bonding network and by intermolecular S⋯S interactions.

Tetrahydrate

Coordination sphere

10.1107/s0108270196007329

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Citations (11)

Catena-(bis((1,10-phenanthroline-N,N′)-copper(II)) hydroxy-bis(phosphato)-tris(dioxo-vanadium(v))): A polymorphic phase driven by disorder

Journal of Molecular Structure (2013)

Cristian Silva-Galaz Marianela Saldías Eleonora Freire Ricardo Baggio Éric Le Fur

Triclinic crystal system

Vanadate

Phenanthroline

10.1016/j.molstruc.2013.08.005

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Citations (2)

An unusualP3₁2 framework for the Ni(4,4′-bipyridine)(H₂O)₄chain

Acta Crystallographica Section C Crystal Structure Communications (2007)

M. Enriqueta Díaz de Vivar S. Baggio M.T. Garland Ricardo Baggio

catena-Poly[[[tetraaquanickel(II)]-mu-4,4'-bipyridine-kappa(2)N:N'] thiosulfate dihydrate], {[Ni(C(10)H(8)N(2))(H(2)O)(4)]S(2)O(3).2H(2)O}(n), (I), and catena-poly[[[tetraaquanickel(II)]-mu-4,4'-bipyridine-kappa(2)N:N'] sulfate methanol solvate monohydrate], {[Ni(C(10)H(8)N(2))(H(2)O)(4)]SO(4).CH(4)O.H(2)O}(n), (II), are built up of {[Ni(4,4'-bipy)(H(2)O)(4)](2+)}(n) chains (4,4'-bipy is 4,4'-bipyridine) interwoven in an unusual P3(1) fashion. Voids are filled by the corresponding counter-anions and solvate molecules, defining a complex three-dimensional network surrounding them. In both structures, the cationic chains evolve around a set of twofold axes passing through the Ni(II) ions and bisecting the aromatic amines through their N (and their opposite C) atoms.

Cationic polymerization

Bipyridine

2,2'-Bipyridine

4,4'-Bipyridine

Chain (unit)

10.1107/s0108270107007214

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Citations (1)