The following Special Issue of Inorganics is based on the discussions initiated at the International Conference on Coordination and Bioinorganic Chemistry (ICCBIC), which has been organized and held biennially since 1964 [...]

Two previously synthesized cobalt(II) coordination polymers; {[Co(μ2-suc)(nia)2(H2O)2]·2H2O}n (suc = succinate(2−), nia = nicotinamide) and [Co(μ2-fum)(nia)2(H2O)2]n (fum = fumarate(2−)) were prepared and thoroughly characterized. Both complexes form 1D coordination chains by bonding of Co(nia)2(H2O)2 units through succinate or fumarate ligands while these chains are further linked through hydrogen bonds to 3D supramolecular networks. The intermolecular interactions of both complexes are quantified using Hirshfeld surface analysis and their infrared spectra, electronic spectra and static magnetic properties are confronted with DFT and state-of-the-art ab-initio calculations. Dynamic magnetic measurements show that both complexes exhibit single-ion magnet behaviour induced by a magnetic field. Since they possess very similar chemical structure, differing only in the rigidity of the bridge between the magnetic centres, this chemical feature is put into context with changes in their magnetic relaxation.

Four novel complexes [Co(μ2-suc)(bzim)2(MeOH)2]n (I), [Co(μ2-suc)(bzim)2(H2O)2]n (II), [Co(μ2-suc)(2-Mebzim)2(H2O)2]n (III) and [Co(μ2-suc)(2-Etbzim)2]n (IV) (suc = succinate dianion, bzim = 1-H-benzimidazole, 2-Mebzim = 2-methyl-1-H-benzimidazole and 2-Etbzim = 2-ethyl-1-H-benzimidazole) were synthesized and characterized by elemental analysis, single-crystal structure analysis, infrared and electronic spectra and magnetic measurements. The coordination environment of the central atom is octahedral in I–III and tetrahedral geometry is documented in IV, which is relatively rare in presence of N-donating ligands. All four complexes form one-dimensional coordination polymers which are further connected by N–H⋯O and/or O–H⋯O bridges into supramolecular two-dimensional (I) or three-dimensional (II–IV) networks. The interpretation of magnetic properties of complexes II–IV was supported with the help of state-of-the-art quantum chemistry proving spin-only behaviour of tetrahedral system IV and spin–orbit interaction in II and III.

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.

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.

New copper(II) dipicolinate complexes containing pyrazine- or pyridinecarboxamides, namely {[Cu(pca) (dipic)(H2O)center dot H2O} (1), [Cu(nia)(diPic)(H2O)] (2), {[Cu(mnia)(dipic)(H2O)]center dot 2H(2)O) (3), {[Cu(inia) (dipic)](n)center dot 2nCH(3)OH} (4) {[Cu(hmnia) (dipic)(H2O)](2)center dot 2[Cu(hmnia)(dipic)(H2O)(2)]center dot 4H(2)O} (5) and [Cu(denia) (dipic)(H2O)] (6) (dipic = dipicolinate, anion derived from pyridine-2,6-dicarboxylic acid, pca = pyrazinecarboxamide, nia = nicotinamide, mnia = N-methylnicotinamide, inia = isonicotinamide, hmnia = N-(hydroxymethyl)nicotinamide and denia = N,N-diethylnicotinamide) were synthesized, structurally characterised by single-crystal X-ray diffraction analysis and their properties were studied using IR, UV-Vis and EPR spectroscopic techniques. The Cu(II) compounds are of square-pyramidal (1-4 and 6) or square-bipyramidal geometry (5), in which copper(II) centres are coordinated by N donor atom of a nicotinamide or its derivatives, one N donor atom and two O donor atoms of dipicolinate anions and the coordination sphere around the Cu(II) atoms is completed by terminal aqua ligands (besides 4). The complex 4 is a polymer, in which are dipicolinate ligands bridging via O atoms of their carboxylate groups neighbouring Cu(II) atoms. The compound 5 is made up of two different types of complex molecules, dinuclear [Cu(hmnia)(dipic)(H2O)](2) and mononuclear [Cu(hmnia)(dipic)(H2O)](2), and lattice solvent molecules in the ratio of 1:2:4. Copper(II) atoms in the dinuclear complex molecules of 5 [Cu(hmnia) (dipic)(H2O)](2)are interconnected through carboxamide 0 donor atoms of bridging N-(hydroxymethyl)nicotinamide ligands. In most cases are complex molecules to each other and solvent molecules linked together via N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds and form 2D or 3D supramolecular networks. The X-band EPR spectra of six copper(II) complexes were recorded at room and low temperature (98 K). The g-factor relation g(11) > g perpendicular to > 2.0023 is consistent with the d(x2-Y4) ground electronic state. (C) 2018 Elsevier Ltd. All rights reserved.

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.

The synthesis and characterization of [Cu(5-Me-2-tpc)2(4-pyme)2] (I), [Cu(3-Me-2-tpc)2(4-pyme)2] (II), [Cu(2-tpc)2(4-pyme)2] (III), [Cu(2-tpc)2(isonia)2(2-tpcH)] (IV), [Cu(5-Me-2-tpc)2(isonia)2(5-Me-2-tpcH)] (V), [Cu2(2-tpc)4(4-pyme)2] (VI), [Cu2(3-Me-2-tpc)4(isonia)2] (VII) (where 2-tpc is 2-thiophenecarboxylate, 3-Me-2-tpc is 3-methyl-2-thiophenecarboxylate, 5-Me-2-tpc is 5-methyl-2-thiophenecarboxylate and 4-pyme is 4-pyridinemethanol and isonia is isonicotinamide) are reported. The complexes under study were characterized by electronic, IR and EPR spectroscopy, magnetic susceptibility over the temperature range and X-ray structure analysis. Structural studies revealed a distorted tetragonal-bipyramidal environment around the copper ion for monomeric complexes I–V. The structure of dimeric complexes VI and VII consists of units of the known paddle-wheel dicopper(II) tetracarboxylates, which are made up of four thiophene-2-carboxylate ions thus bridging the two copper atoms. The complex molecules of all compounds are connected through H-bonds into supramolecular chains or frameworks. The spectral and magnetic properties are discussed with regard to X-ray data.

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.

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.

The syntheses of ten new Ni(II) complexes 5a–5j with H2L tridentate (ONO) Schiff-base ligand (2-((2-oxybenzylidene)amino)phenolate) have been described and fully characterized by means of elemental analysis, FT–IR, electronic, 1H NMR and 13C NMR spectroscopy and single-crystal X-ray diffraction. In all [Ni(L)B] complexes (where B are imidazole, 4-benzylpyridine, 2-methyl-5-ethylpyridine, 3-hydroxymethylpyridine, 2-methylbenzimidazole, 2,6-dimethylpyridine, 4-methylpyridine, 2-isopropylbenzimidazole, 4-methylpiperidine or triphenylphosphine) the Schiff base completely deprotonates and coordinates to the metal ion as a dianionic tridentate ligand via the donor oxygens and nitrogen atoms. The coordination number of Ni(II) atoms is four with distorted square-planar stereochemistry. This is in a good agreement with the ligand field band position in their electronic spectra, as well as with the X-ray structure analysis for all complexes under study. Six selected complexes are used as catalysts for Kumada–Corriu cross-coupling reactions and exhibit a moderate to good catalytic activity in the synthesis of biaryl derivatives.

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.

The synthesis and characterization of eight new coordination compounds [Cu(2-tpc)2(μ-3-pyme)2]n (1), [Cu(3-Me-2-tpc)2(μ-3-pyme)2]n (2), [Cu(5-Me-2-tpc)2(μ-3-pyme)2]n (3), [Cu(5-Cl-2-tpc)2(3-pyme)2] (4), [Cu(2-fuc)2(μ-3-pyme)2]n (5), [Cu(3-fuc)2(μ-3-pyme)2]n (6), [Cu(2,5-Me2-3-fuc)2(μ-3-pyme)2]n (7), and [Cu(5-NO2-2-fuc)2(μ-3-pyme)2]n (8) (where 2-tpc is 2-thiophenecarboxylato, 3-Me-2-tpc is 3-methyl-2-thiophenecarboxylato, 5-Me-2-tpc is 5-methyl-2-thiophenecarboxylato, 5-Cl-2-tpc is 5-chloro-2-thiophenecarboxylato, 2-fuc is 2-furancarboxylato, 3-fuc is 3-furancarboxylato, 2,5-Me2-3-fuc is 2,5-dimethyl-3-furancarboxylato, 5-NO2-2-fuc is 5-nitro-2-furancarboxylato and 3-pyme is 3-pyridylmethanol) is reported and their X-ray structures were determined. X-ray analysis revealed that samples 1–3 and 5–8 are coordination polymers, whereas the complex 4 is monomeric. The polymeric extension is achieved through bridging N,O-3-pyridylmethanol molecules, resulting in the observation of 2-D (1–3, 5–7) or 1-D polymeric chains (8). In addition, the coordination polymers are also stabilized by strong intramolecular hydrogen bonds. On the other hand, the monomeric compound 4 with monodentate N-coordinated 3-pyridylmethanol ligands forms 1-D supramolecular chain due to strong intermolecular hydrogen bonds. Electronic, IR, EPR spectra and magnetic susceptibility measurements over the temperature range 1.8–300K are discussed in terms of known crystal and molecular structure. Based on the IR spectra it can be concluded that the type of coordination of 3-pyridylmethanol as well as hydrogen bonds strongly influence the position and the shape of the stretch vibrations bands assigned to hydroxyl group.

Synthesis and characterization of eight new complexes of various structural types are reported. With 5-nitro-2-furancarboxylic acid (5-NO 2 -2-fucH), two monomeric complexes, [Cu(5-NO 2 -2-fuc) 2 (H 2 O) 2 ] ( II ) and [Cu(5-NO 2 -2-fuc) 2 (H 2 O) 4 ] ( III ), as well as a dimeric complex with ethylnicotinate (Etnic), [Cu(5-NO 2 -2-fuc) 2 (Etnic) 2 ] 2 ( V ), were prepared. With other acids: 2,5-dimethyl-3-furancarboxylic acid (2,5-Me 2 -3-fucH), 2-thiophencarboxylic acid (2-tpcH), 3-methyl-2-thiophencarboxylic acid (3-Me-2-tpcH) or 5-methyl-2-thiophencarboxylic acid (5-Me-2-tpcH), only dimeric complexes [Cu(2,5-Me 2 -3-fuc) 2 (H 2 O)] 2 ( I ), [Cu(2,5-Me 2 -3-fuc) 2 (Etnic)] 2 ( IV ), [Cu(2-tpc) 2 (Etnic)] 2 ( VI ), [Cu(3-Me-2-tpc) 2 (Etnic)]2 ( VII ) and Cu(5-Me-2-tpc) 2 (Etnic)] 2 ( VIII ) have been synthesised. Characterizations of the complexes were based on elemental analysis and infrared, electronic, EPR and magnetic measurements. Moreover, complexes III , V, VII and VIII were also studied by X-ray structural analysis. Two structural types of dimeric complexes were observed differing in the number of carboxylate bridges. Most of the dinuclear complexes exhibit the common “paddle-wheel” structural motif while the molecular structure of V contains two pentacoordinated copper(II) ions bridged by two carboxylate groups of two 5-nitro-2-furancarboxylate ligands resulting in the intramolecular copper-copper distance of 4.4960(8) Å. Magnetic properties (monomeric EPR signal and isotropic exhchange constant ( J of approximately 0 cm −1 ) of V confirmed a very weak magnetic interaction between copper centres.

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.

Abstract Probable mode of action of new copper complexes of 2-methylthionicotinate (2-MeSNic) of composition [Cu(2-MeSNic)2(H2O)2] and [Cu(2-MeSNic)2(MeNia)2(H2O)2]·H2O (where MeNia is N-methylnicotinamide) is described. Both partial growth inhibition of Candida albicans (IC50 ≥ 1.78 mmol·L−1, MIC ≥ 2.5 mmol·L−1) and leak of proteins into the extracellular space (more than 80 %) were observed in the presence of these copper complexes. The membrane damage was detected by staining with Hoechst 33342, propidium iodide and methylene blue. Ascorbic acid potentiated antifungal activity of copper complexes approximately seven-fold and induced the oxidative stress, respectively. The production of intracellular reactive oxygen species was visualized by dichlorofluorescein. Thiobarbituric acid-reactive substances were formed as a by-product of lipid peroxidation.

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.