Crystal structure of [chlorobis(1,10-phenanthroline)copper(II)] chloride 3,5-dihydroxybenzoic acid solvate monohydrate, [CuCl(C12H8N2)2]Cl · C6H3(OH)2COOH · H2O

H.-Y. He, Y.-L. Zhou, Y.-N. Chen, L.-G. Zhu
2005 Zeitschrift für Kristallographie - New Crystal Structures  
C31H24CI2CUN4O5, monoclinic, P\2\ln\ (no. 14), a = 15.380(3) A, b = 11.466(2) A, c = 17.150(3) A, β = 109.99(3)°, V = 2842.2 A 3 , Ζ = 4, R#(F) = 0.066, yvRniF 1 ) = 0.197, T= 295 K. Source of material A mixture of CuCh · 2H 2 0 (0.0524 g, 0.31 mmol), 3,5-dihydroxybenzoic acid (0.0917 g, 0.60 mmol), 1,10-phenanthroline (0.1214 g, 0.61 mmol) and water (10 ml) was heated at 393 Κ for 24 h in a 20 ml Teflon-lined stainless-steel autoclave. After cooling, a green solution was obtained. The
more » ... ained. The resulting solution was put aside and the solvent allowed to evaporate at room temperature. After one week, green plate-shaped crystals of the title compound were obtained. Experimental details The aromatic Η atoms, caiboxyl Η atom, and hydroxyl Η atoms were generated geometrically, and were included in the refinements in the riding model approximation (d(C-H) = 0.93 A, d(0-H)=0.82 A, ί/iso = 1 2 U e q(O)). The water Η atoms were located from Fourier difference maps and were refined with Ο-Η distance restraint of 0.85( 1) A and isotropic displacement parameter ί/iso fixed to 0.05 A 2 .
doi:10.1524/ncrs.2005.220.3.448 fatcat:koe2fa7myvhebbcxij56s4mblm