Synthesis and Crystal Structure of {Cu_2(pdc)_2(4,4'-bipy)(H_2O)·3H_2O}_2

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The title compound {Cu2(pdc)2(4,4?-bipy)(H2O)3H2O}2 1 (H2pdc = pyridine-2,6- dicarboxylic acid, also known as dipicolinic acid; 4,4?-bipy = 4,4?-bipyridine) has been synthesized by the hydrothermal reaction and its structure was determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group Pi with a = 7.2278(3), b = 10.6259(4), c = 17.7614(6) ? a = 79.5990(10), = 83.6300(10), ? = 71.8280(10)o, V = 1272.60(8) ?, C48H44Cu4N8O24, Mr = 1371.07, Z = 1, Dc = 1.789 g/cm3, = 1.747 mm-1, F(000) = 696, R = 0.0397 and wR = 0.1137 for 3938 observed reflections (I > 2s(I)). There are two kinds of Cu coordination environments, and each central copper(II) atom is five-coordinated in a distorted square-based pyramidal coordination geo- metry. Four copper(II) atoms are linked by four pdc and two 4,4?-bipy ligands to form an annular rectangle structure. Extensive hydrogen-bonding interactions involving carboxylate O atoms as well as coordinated and free water molecules lead to the formation of a three-dimensional network struc- ture. The title compound {Cu2 (pdc) 2 (4,4? -bipy) (H2O) 3H2O} 2 1 (H2pdc = pyridine-2,6- dicarboxylic acid, also known as dipicolinic acid; 4,4? -bipy = 4 , 4? -bipyridine) has been synthesized by the hydrothermal reaction and its structure was determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group Pi with a = 7.2278 (3), b = 10.6259 , C = 17.7614 (6)? a = 79.5990 (10), = 83.6300 (10),? = 71.8280 (10) o, V = 1272.60 (8) ?, C48H44Cu4N8O24, Mr = 1371.07, Z = 1, Dc = 1.789 There are two kinds of Cu coordination environments, and each central copper (g / cm3) = 1.747 mm -1, F (000) = 696, R = 0.0397 and wR = 0.1137 for 3938 observed reflections (II) atoms are five-coordinated in a distorted square-based pyramidal coordination geo- metry. Four copper (II) atoms are linked by four pdc and two 4,4? -bipy ligands to form an annular ring structure. bonding interactions involving carboxylate O atoms as well as coordinated and free water molecules lead to the formation of a three-dimensional network structrure
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