Synthesis and Crystal Structure of [Cu(phen)_2Cl](OH). 5.5H_2O(phen = 1, 10-phenanthroline)
Zheng Yue-qing
Abstract
Zheng Yue-qing
Abstract
Reactions of 1, 10-phenanthroline and CuCl2. 2H2O in the presence of adipic acid and Na2CO3 in CH3OH - H2O solution resultse in [ Cu(phen)2 Cl] (OH)' 5.5H2O. Single X-ray crystal structure determination indicats that the title complex crystallized in the monoclinic space group C2/c (No. 15) with the cell dimensions a = 2. 3322(4) nm, b = 3. 0286(6) nm, c = 0. 7503(1) nm, β= 97.80(1)°,V = 5.251(2) nm3, Dc = 1.456 g/cm3, Z = 8, F(000) = 2384, R = 0.091, wR2 = 0. 137 3 for 2580 observed reflections F2O≥2σ(F20) out of 5 791 unique reflections. The crystal structure consists of the [ Cu(phen)2 Cl] + complex canons, OH- anions and lattice H2O molecules. Each Cu atom is coordinated by one Cl atom and four N atoms from two phen ligands to form a distorted trigonal bipyramid with axial d(Cu - N) = 0. 1969(5), 0. 1981(5) nm, equatorial d(Cu - N) = 0. 2087(5), 0. 2105(5) nm and d(Cu -Cl) = 0. 2335(2) nm. Through π-π stacking interactions, the complex canons are assembled into 2D layers, between which the OH anions and H2O molecules are sandwiched.
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Reactions of 1, 10-phenanthroline and CuCl2. 2H2O in the presence of adipic acid and Na2CO3 in CH3OH - H2O solution resultse in [ Cu(phen)2 Cl] (OH)' 5.5H2O. Single X-ray crystal structure determination indicats that the title complex crystallized in the monoclinic space group C2/c (No. 15) with the cell dimensions a = 2. 3322(4) nm, b = 3. 0286(6) nm, c = 0. 7503(1) nm, β= 97.80(1)°,V = 5.251(2) nm3, Dc = 1.456 g/cm3, Z = 8, F(000) = 2384, R = 0.091, wR2 = 0. 137 3 for 2580 observed reflections F2O≥2σ(F20) out of 5 791 unique reflections. The crystal structure consists of the [ Cu(phen)2 Cl] + complex canons, OH- anions and lattice H2O molecules. Each Cu atom is coordinated by one Cl atom and four N atoms from two phen ligands to form a distorted trigonal bipyramid with axial d(Cu - N) = 0. 1969(5), 0. 1981(5) nm, equatorial d(Cu - N) = 0. 2087(5), 0. 2105(5) nm and d(Cu -Cl) = 0. 2335(2) nm. Through π-π stacking interactions, the complex canons are assembled into 2D layers, between which the OH anions and H2O molecules are sandwiched.
Key concepts: Monoclinic crystal system, Crystallography, Stacking, Crystal structure, Trigonal bipyramidal molecular geometry, Phenanthroline, Chemistry, Molecule