Bis(ethylenethiourea)gold(I) chloride hydrate

C6H14ON4CIS2Au, triclinic, P I, a = 8.828 (6), b=9 .017 (4), c=10.414 (6) A, c~=114.63 (4), f l= 92.14 (6), y=116.05 (4) ° , U=651.9 A 3, Z = 2 , Dx= 2.317 g cm 3 , / z = 113.3 cm -1 (Mo K~). The structure consists of etu2Au ÷ cations (e tu=ethylenethiourea) somewhat distorted from the expected linear coordination, with uncoordinated CIanions; the water molecule forms a hydrogen-bonding bridge between the two cis etu rings. The structure was refined to an R of 0.0844 for 2388 independent observed reflexions. Introduction. The structure of etu2AuCl. H20 has been determined as part of a study of coordinat ion number in Au ~ compounds. Colourless crystals were obtained as described by Morgan & Burstall (1928) and were stable to X-rays. Intensities were determined on a Syntex P21 fourcircle diffractometer with Mo K~ radiation, a graphite monochromator , and a crystal 0.1 × 0.15 × 0.18 mm. 3012 reflexions were measured in the range 2 ° 4 ~ ( F ) were used in the structure determination. Lp and numerical absorpt ion corrections were made. The cell used was both the Dirichlet and Delaunay cell. No cell of higher symmetry could be found with the lattice geometry program X C E L L . The non-hydrogen atoms were located from Patterson and difference syntheses. C H distances were fixed at 1.08 A, N H distances at 0.98 A, H C H angles at 109.5 ° and H-atom temperature factors at 0.1 A 2. The H atoms of water were not located. The final R'=~w~/ZA/y_wl/ZlFol was 0.0854, with acorresponding R of 0.0844; the weighting scheme was w = 1/[cr2(F)+O.O1F 2] which gave a mean wA 2 varying only slightly with sin 0 or [Fol. Complex neutral atom scattering factors were used. An empirical isotropic ext inction parameter x was included in the refinement; it refined to 433 (8)× 10 .9 (where Fc is multiplied by [ l -x lFc l2 / s in 0]). Final atomic coordinates and temperature factors are given in Tables 1-3, with derived bond lengths, bond angles and non-bonded distances