Crystal structure of μ-1,4-bis(diphenylphosphine)butane-2,9-dimethyl-1,10-phenanthroline-κ² N:N′-bis(cyano-κC)dicopper(I)]-water, C₅₈H₅₆Cu₂N₆O₂P₂

Abstract

C 58 H 56 Cu 2 N 6 O 2 P 2 , monoclinic, P21/n, a = 12.0546(9) Å, b = 13.1669(10) Å, c = 16.7151(12) Å, β = 101.845(2)°, CCDC no.: 1543452 The crystal structure (water molecular removed) is shown in the figure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters. Source of materialA mixture of CuCN (0.0179 g, 0.2 mmol), 2,9-dimethyl-1,10-phenanthroline (dmp) (0.0434 g, 0.2 mmol) and 1,4-bis(diphenylphosphino)butane (dppb) (0.0853 g, 0.2 mmol) were dissolved in a mixture of CH 3 CN and CH 2 Cl 2 (10 mL, v/v = 1:1). After being stirred for 6 hours at room temperature, the liquid was filtered. Subsequent slow evaporation of the filtrate resulted in the formation of yellow block crystals. Experimental detailsHydrogen atoms were placed on calculated positions and refined using a riding model. The highest residual electron density peak (0.67 e −3 Å) is located 2.29 Å away from the water oxygen atom; however, refinement of disorder did not lead to a significant improvement of the model.