Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 7 (July 2013)


metal-organic compounds



Acta Cryst. (2013). C69, 709-711    [ doi:10.1107/S0108270113015047 ]

Bis(4-picoline-[kappa]N)gold(I) di­bromido­aurate(I) and bis­(4-picoline-[kappa]N)gold(I) di­chlorido­aurate(I): space-group ambiguity?

C. Döring and P. G. Jones

Abstract: Bis(4-picoline-[kappa]N)gold(I) di­bromido­aurate(I), [Au(C6H7N)2][AuBr2], (I), crystallizes in the monoclinic space group P21/n, with two half cations and one general anion in the asymmetric unit. The cations, located on centres of inversion, assemble to form chains parallel to the a axis, but there are no significant contacts between the cations. Cohesion is provided by flanking anions, which are connected to the cations by short Au...Au contacts and C-H...Br hydrogen bonds, and to each other by Br...Br contacts. The corresponding chloride derivative, [Au(C6H7N)2][AuCl2], (II), is isotypic. A previous structure determination of (II), reported in the space group P\overline{1} with very similar axis lengths to those of (I) [Lin et al. (2008). Inorg. Chem. 47, 2543-2551], might be identical to the structure presented here, except that its [gamma] angle of 88.79 (7)° seems to rule out a monoclinic cell. No phase transformation of (II) could be detected on the basis of data sets recorded at 100, 200 and 295 K.

Formula: [Au(C6H7N)2][AuBr2] and [Au(C6H7N)2][AuCl2]


hkldisplay filedownload file

Structure factor file (CIF format) (200.5 kbytes)
[ doi:10.1107/S0108270113015047/sk3492Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (182.7 kbytes)
[ doi:10.1107/S0108270113015047/sk3492II_100Ksup3.hkl ]
Contains datablock II_100K


hkldisplay filedownload file

Structure factor file (CIF format) (161.1 kbytes)
[ doi:10.1107/S0108270113015047/sk3492II_295Ksup4.hkl ]
Contains datablock II_295K


hkldisplay filedownload file

Structure factor file (CIF format) (192.6 kbytes)
[ doi:10.1107/S0108270113015047/sk3492II_200Ksup5.hkl ]
Contains datablock II_200K


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