Information card for entry 2000903

Structure parameters

• Formula: C3 H3 Na O4
• Calculated formula: C3 H3 Na O4
• SMILES: [Na+].[O-]C(=O)CC(=O)O
• Title of publication: Structures of a partially deuterated sodium trihydrogen dimalonate and sodium hydrogen malonate (a reinvestigation) at 120 K
• Authors of publication: Kalsbeek, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 878 - 883
• a: 6.671 ± 0.002 Å
• b: 7.39 ± 0.003 Å
• c: 9.359 ± 0.004 Å
• α: 90°
• β: 100.49 ± 0.03°
• γ: 90°
• Cell volume: 453.7 ± 0.3 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No