{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["79(Pt 1)"],"submitter":["Klein W"],"pubmed_abstract":["Na<sub>2</sub>S<sub>2</sub>O<sub>3</sub>·2H<sub>2</sub>O has been mentioned in the literature for more than a hundred years and pure samples were prepared and investigated, however, no structural data except for a set of lattice parameters were known to date. Now crystals of this compound have been grown at the surface of an aqueous solution of Na<sub>2</sub>S<sub>2</sub>O<sub>3</sub> and the structure has been determined at 200 and 100 K. Na<sub>2</sub>S<sub>2</sub>O<sub>3</sub>·2H<sub>2</sub>O crystallizes in the space group <i>P</i>2<sub>1</sub>/<i>n</i> with two formula units in the asymmetric unit and all atoms occupying general positions. The sodium cations are five- to seven-coordinate by thio-sulfate anions and water mol-ecules and the anions act as mono- and bidentate ligands. In the extended structure, the thio-sulfate anions and water mol-ecules are connected by O-H⋯O and O-H⋯S hydrogen bonds of medium strength to form corrugated layers, which are linked by sodium cations. For comparison, the crystal structure of Na<sub>2</sub>S<sub>2</sub>O<sub>3</sub>·5H<sub>2</sub>O has been determined at the same conditions, <i>i.e.</i> for the first time below room temperature."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["44-49"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9815136"],"repository":["biostudies-literature"],"pubmed_title":["Crystal structure of sodium thio-sulfate dihydrate and comparison to the penta-hydrate."],"pmcid":["PMC9815136"],"pubmed_authors":["Klein W"],"additional_accession":[]},"is_claimable":false,"name":"Crystal structure of sodium thio-sulfate dihydrate and comparison to the penta-hydrate.","description":"Na<sub>2</sub>S<sub>2</sub>O<sub>3</sub>·2H<sub>2</sub>O has been mentioned in the literature for more than a hundred years and pure samples were prepared and investigated, however, no structural data except for a set of lattice parameters were known to date. Now crystals of this compound have been grown at the surface of an aqueous solution of Na<sub>2</sub>S<sub>2</sub>O<sub>3</sub> and the structure has been determined at 200 and 100 K. Na<sub>2</sub>S<sub>2</sub>O<sub>3</sub>·2H<sub>2</sub>O crystallizes in the space group <i>P</i>2<sub>1</sub>/<i>n</i> with two formula units in the asymmetric unit and all atoms occupying general positions. The sodium cations are five- to seven-coordinate by thio-sulfate anions and water mol-ecules and the anions act as mono- and bidentate ligands. In the extended structure, the thio-sulfate anions and water mol-ecules are connected by O-H⋯O and O-H⋯S hydrogen bonds of medium strength to form corrugated layers, which are linked by sodium cations. For comparison, the crystal structure of Na<sub>2</sub>S<sub>2</sub>O<sub>3</sub>·5H<sub>2</sub>O has been determined at the same conditions, <i>i.e.</i> for the first time below room temperature.","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Jan","modification":"2025-08-30T03:09:33.308Z","creation":"2024-10-19T03:38:34.358Z"},"accession":"S-EPMC9815136","cross_references":{"pubmed":["36628359"],"doi":["10.1107/S2056989022011975"]}}