Ontology highlight
ABSTRACT:
SUBMITTER: Rammohan A
PROVIDER: S-EPMC4908562 | biostudies-literature | 2016 Jun
REPOSITORIES: biostudies-literature
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]