Crystal and molecular structure of 1,5-dihydrodecamethylcyclopentaphosphonitrilium tetrachlorocuprate(II) monohydrate

Abstract

Crystals of the title compound are triclinic, a= 9·034(6), b= 14·390(8), c= 10·924(8)Å, α= 91·66(7), β= 96·52(9), γ= 109·77(5)°, Z= 2, space group P. The structure was determined from diffractometer data by a combination of direct methods and electron-density maps, and refined by full-matrix least-squares methods to R 0·072 for 2707 observed reflexions. The structure consists of a distorted tetrahedral CuCl₄^2– anion and a ten-membered phosphonitrilic ring with two nitrogen atoms protonated. Bond-length inequalities in the phosphonitrilic ring are explained in terms of π-bonding theory. The conformation of the phosphonitrilic ring appears to be influenced primarily by N–H ⋯ Cl hydrogen bonding to the anion and N–H ⋯ O hydrogen bonding to the water molecule of crystallization.