Information card for entry 4108920

Structure parameters

• Formula: H14 Na2 O11 S
• Calculated formula: H12 Na2 O11 S
• SMILES: [Na+].[Na+].S(=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: 7.1413 ± 0.0002 Å
• b: 7.1413 ± 0.0002 Å
• c: 22.1101 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1127.57 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.119
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No