Information card for entry 1543452

Structure parameters

• Formula: C3 H4 Na2 O5
• Calculated formula: C3 H4 Na2 O5
• SMILES: [Na+].O=C(CC(=O)[O-])[O-].[Na+].O
• Title of publication: Solubilities and Glass Formation in Aqueous Solutions of the Sodium Salts of Malonic Acid With and Without Ammonium Sulfate.
• Authors of publication: Kissinger, Jared A.; Buttke, Lukas G.; Vinokur, Anastasiya I.; Guzei, Ilia A.; Beyer, Keith D.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2016
• Journal volume: 120
• Journal issue: 21
• Pages of publication: 3827 - 3834
• a: 10.4604 ± 0.0007 Å
• b: 15.2727 ± 0.0011 Å
• c: 7.3353 ± 0.0005 Å
• α: 90°
• β: 104.354 ± 0.003°
• γ: 90°
• Cell volume: 1135.29 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No