Information card for entry 7004911

Structure parameters

• Formula: C D5 Na O4
• Calculated formula: C D5 Na O4
• SMILES: [Na+].C(=O)([2H])[O-].[O]([2H])[2H].O([2H])[2H]
• Title of publication: A new high pressure phase of sodium formate dihydrate; an experimental and computational study.
• Authors of publication: Walker, Martin; Morrison, Carole A.; Allan, David R.; Pulham, Colin R.; Marshall, William G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 20
• Pages of publication: 2014 - 2019
• a: 7.6914 ± 0.0009 Å
• b: 3.51868 ± 0.00027 Å
• c: 8.1102 ± 0.0009 Å
• α: 90°
• β: 111.806 ± 0.008°
• γ: 90°
• Cell volume: 203.79 ± 0.04 ų
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Goodness-of-fit parameter for all reflections: 1.1
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No