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The crystal structures of sodium dirubidium citrate {poly[μ-citrato-dirubi-dium(I)sodium(I)], [NaRb 2 (C 6 H 5 O 7 )]  n  } and sodium dirubidium citrate dihydrate {poly[di-aqua-(μ-citrato)dirubidium(I)sodium(I)], [NaRb 2 (C 6 H 5 O 7 )(H 2 O) 2 ]  n  } have been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. Both structures contain Na chains and Rb layers, which link to form different three-dimensional frameworks. In each structure, the citrate triply chelates to the Na + cation. Each citrate also chelates to Rb + cations. In the dihydrate structure, the water mol-ecules are bonded to the Rb + cations; the Na + cation is coordinated only to citrate O atoms. Both structures contain an intra-molecular O-H⋯O hydrogen bond between the hy-droxy group and one of the terminal carboxyl-ate groups. In the structure of the dihydrate, each hydrogen atom of the water mol-ecules participates in a hydrogen bond to an ionized carboxyl-ate group.

acta crystallographica. section e, crystallographic communications

Sodium dirubidium citrate, NaRb2C6H5O7, and sodium dirubidium citrate dihydrate, NaRb2C6H5O7(H2O)2