Unknown

Dataset Information

0

Trisodium citrate, Na3(C6H5O7).


ABSTRACT: The crystal structure of anhydrous tris-odium citrate, Na3(C6H5O7), has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory (DFT). There are two independent five-coordinate Na(+) and one six-coordinate Na(+) cations in the asymmetric unit. The [NaO5] and [NaO6] polyhedra share edges and corners to form a three-dimensional framework. There are channels parallel to the a and b axes in which the remainder of the citrate anions reside. The only hydrogen bonds are an intra-molecular one between the hy-droxy group and one of the terminal carboxyl-ate O atoms and an intermolecular one between a methylene group and the hydroxyl O atom.

SUBMITTER: Rammohan A 

PROVIDER: S-EPMC4908562 | biostudies-literature | 2016 Jun

REPOSITORIES: biostudies-literature

altmetric image

Publications

Trisodium citrate, Na3(C6H5O7).

Rammohan Alagappa A   Kaduk James A JA  

Acta crystallographica. Section E, Crystallographic communications 20160510 Pt 6


The crystal structure of anhydrous tris-odium citrate, Na3(C6H5O7), has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory (DFT). There are two independent five-coordinate Na(+) and one six-coordinate Na(+) cations in the asymmetric unit. The [NaO5] and [NaO6] polyhedra share edges and corners to form a three-dimensional framework. There are channels parallel to the a and b axes in which the remainder of the citrate anions resid  ...[more]

Similar Datasets

| S-EPMC6319411 | biostudies-literature
| S-EPMC6113908 | biostudies-other
| S-EPMC6603108 | biostudies-literature
| S-EPMC3344289 | biostudies-other
| S-EPMC7045399 | biostudies-literature
| S-EPMC3294460 | biostudies-literature
| S-EPMC4270255 | biostudies-literature
| S-EPMC3569781 | biostudies-literature
| S-EPMC3051445 | biostudies-literature
| S-EPMC6509689 | biostudies-literature