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

ABSTRACT: The crystal structures of sodium dirubidium citrate {poly[?-citrato-dirubi-dium(I)sodium(I)], [NaRb2(C6H5O7)] n } and sodium dirubidium citrate dihydrate {poly[di-aqua-(?-citrato)dirubidium(I)sodium(I)], [NaRb2(C6H5O7)(H2O)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.

SUBMITTER: Cigler AJ 

PROVIDER: S-EPMC6509689 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature

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Sodium dirubidium citrate, NaRb<sub>2</sub>C<sub>6</sub>H<sub>5</sub>O<sub>7</sub>, and sodium dirubidium citrate dihydrate, NaRb<sub>2</sub>C<sub>6</sub>H<sub>5</sub>O<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>.

Cigler Andrew J AJ   Kaduk James A JA  

Acta crystallographica. Section E, Crystallographic communications 20190311 Pt 4

The crystal structures of sodium dirubidium citrate {poly[μ-citrato-dirubi-dium(I)sodium(I)], [NaRb<sub>2</sub>(C<sub>6</sub>H<sub>5</sub>O<sub>7</sub>)] <sub><i>n</i></sub> } and sodium dirubidium citrate dihydrate {poly[di-aqua-(μ-citrato)dirubidium(I)sodium(I)], [NaRb<sub>2</sub>(C<sub>6</sub>H<sub>5</sub>O<sub>7</sub>)(H<sub>2</sub>O)<sub>2</sub>] <sub><i>n</i></sub> } have been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniqu  ...[more]

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