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(C6H18N3)4[CuCl5]2[CuCl4]3·1.42H2O is prepared and characterized by various physicochemical techniques. The single crystal X-ray diffraction structural analysis reveals that the title compound belongs to the orthorhombic system with the space group Cmca. Its unit cell dimensions are: a = 24.286(2) Å, b = 14.3082(14) Å, c = 16.6160(16) Å, Z = 4, V = 5773.8(10) Å3. Its crystal structure is determined and refined down to R = 0.024 and wR(F2) = 0.059. The structure contains three crystallographically independent Cu2+ ions coordinated to chlorine anions in various fashions. Cu1 is five-coordinated in a distorted square pyramidal fashion, while Cu2 and Cu3 are four-coordinated in square planar and distorted tetrahedral fashions, respectively. The entities are interconnected by means of the hydrogen bonding [O(W)-H...Cl, N-H...Cl, C-H...Cl and C-H...O(W)], forming a three-dimensional network. Intermolecular interactions are investigated by Hirshfeld surfaces and the contacts of the eight different chloride atoms are notably compared. The vibrational absorption bands are identified by infrared spectroscopy. The optical study is performed by UV-vis absorption. [ABSTRACT FROM AUTHOR]

The chemical preparation and characterization of a novel coordination compound [CuClO4(C4H6N2O)4H2O]ClO4(C4H6N2O)0.08 is reported. The compound crystallizes in the monoclinic space group P21/c with lattice parameters a = 11.2678(5) Å, b = 12.8102(6) Å, c = 19.7250(8) Å, β = 100.3051(15)°, V = 2801.2(2) Å3. The Cu(II) cation is six-coordinated in an elongated distorted octahedral fashion by four N atoms of four 3-amino-5-methylisoxazole ligands, one water oxygen atom, and one perchlorate oxygen atom. In the atomic arrangement, the coordinated and uncoordinated perchlorate anions are grouped in pairs to form anionic layers parallel to the (a, b) plane. A substantial number of H-bonding interactions leads to the formation of an intricate three-dimensional network. The vibrational absorption bands are identified by infrared spectroscopy and the electrical properties are studied by impedance spectroscopy. The DSC analysis agrees with the electrical conductivity results. Magnetic properties are also determined to characterize the complex. [ABSTRACT FROM AUTHOR]

The chemical preparation and characterization of a novel coordination compound [CuClO4(C4H6N2O)4H2O]ClO4(C4H6N2O)0.08 is reported. The compound crystallizes in the monoclinic space group P21/c with lattice parameters a = 11.2678(5) Å, b = 12.8102(6) Å, c = 19.7250(8) Å, β = 100.3051(15)°, V = 2801.2(2) Å3. The Cu(II) cation is six-coordinated in an elongated distorted octahedral fashion by four N atoms of four 3-amino-5-methylisoxazole ligands, one water oxygen atom, and one perchlorate oxygen atom. In the atomic arrangement, the coordinated and uncoordinated perchlorate anions are grouped in pairs to form anionic layers parallel to the (a, b) plane. A substantial number of H-bonding interactions leads to the formation of an intricate three-dimensional network. The vibrational absorption bands are identified by infrared spectroscopy and the electrical properties are studied by impedance spectroscopy. The DSC analysis agrees with the electrical conductivity results. Magnetic properties are also determined to characterize the complex. [ABSTRACT FROM AUTHOR]