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From the aqueous-ethanolic system Ni(OH)2—H2fum—phen (H2fum = fumaric acid, phen = 1,10-phenanthroline), novel complex [Ni(phen)3](fum)·9H2O (1) was isolated and characterized by chemical analyses and FT-IR spectroscopy. Results of single crystal X-ray structure analysis have shown that the ionic crystal structure of 1 is built of [Ni(phen)3]2+ complex cations, fumarate dianions and nine crystallographically independent water molecules of crystallization. The Ni(II) atom exhibits hexa-coordination by three phen ligands with mean Ni-N bond length of 2.090 Å. Water molecules form hydrophilic supramolecular layers with fumarate dianions via extended network of O—H···O type hydrogen bonds with O···O distances from the range of 2.676(2)—2. 916(2) Å; hydrophobic complex cations are embedded between these layers. Thermal study of 1 has shown that endothermic dehydration in the temperature range of 95—195 °C takes at least two steps of the process.
Crystal structure of [Ni(phen)3]fum·9H2O (phen = 1,10-phenanthroline; H2fum = fumaric acid) which is built of supramolecular layers formed by hydrogen bonded water solvate molecules and fum dianions and between the supramolecular layers embedded [Ni(phen)3]2+ complex cations is described here.
Materials possessing pyroelectric, piezoelectric and nonliear optical properties have been given immense interest over recent years. Nonlinear optical (NLO) materials play an important role in optical communication, laser technology, frequency conversion and data storage technology [ 1 – 6 ]. Zeiler  first determined the crystalstructure of lithium sulphate monohydrate (LSMH) without localization of hydrogen atoms, which was later confirmed by Larson et al.  . The structural knowledge of LSMH was completed by Ozerov et al. [9
Julia Koziskova, Friedemann Hahn, Jens Richter and Jozef Kožíšek
Two different absorption correction methods were compared in order to find out which method is preferable to improve solving and refining a crystal structure. Experiments were performed on the crystal of a tetrakis(μ2-acetato)-diaqua-di-copper(II) complex. The first correction method used was the numerical absorption correction with the aid of a crystal-shape model, and the other was the semi-empirical one, applying scaling routines to the intensity data.
Viktor Vrábel, Július Sivýb, Jan Světlíkc, Štefan Marchalínd and Šafař Peterd
We report here the crystal and molecular structure of a new chromane-derivative, namely isopropyl( 2R*,3S*,4S*)-4-(benzo[d]thiazol-2-ylamino)-2-hydroxy-2-ethylchromane-3-carboxylate (I), C21H22N2O4S, which crystallizes as racemate in the space group C2/c. Its structure has been solved using X-ray diffraction data obtained at low temperature (100(2) K). In this compound, the chromane moiety consists of a benzene ring fused with a six-membered heterocyclic ring which adopts a distorted half-chair conformation. The molecules are linked by a combination of O-H∙∙∙N and N-H∙∙∙O hydrogen bonds, resulting in a twodimensional network which helps stabilizing the crystal structure of the compound (I). Dihedral angle between the chromane and benzothiazol rings is 80.6(1)0.