Information card for entry 2000902

Structure parameters

• Formula: C6 H7 Na O8
• Calculated formula: C6 H10 Na O9
• SMILES: [Na+].O=C(CC(=O)O)O.O=C(CC([O-])=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: 8.484 ± 0.002 Å
• b: 6.859 ± 0.002 Å
• c: 14.95 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 870 ± 0.4 ų
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No