Information card for entry 4108921

Structure parameters

• Chemical name: Sodium sulfate octahydrate
• Formula: H16 Na2 O12 S
• Calculated formula: H16 Na2 O12 S
• SMILES: [Na+].[Na+].S(=O)(=O)([O-])[O-].O.O.O.O.O.O.O.O
• Title of publication: In Situ Characterization of Elusive Salt Hydrates-The Crystal Structures of the Heptahydrate and Octahydrate of Sodium Sulfate
• Authors of publication: Iain D. H. Oswald; Andrea Hamilton; Christopher Hall; William G. Marshall; Timothy J. Prior; Colin R. Pulham
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17795 - 17800
• a: 7.8865 ± 0.0014 Å
• b: 8.096 ± 0.008 Å
• c: 8.2521 ± 0.0013 Å
• α: 85.73 ± 0.03°
• β: 86.239 ± 0.015°
• γ: 88.59 ± 0.03°
• Cell volume: 524.2 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections: 0.2018
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9343
• Diffraction radiation wavelength: 0.7977 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No