Information card for entry 4513223

Structure parameters

• Formula: Cl H4 Na O2
• Calculated formula: Cl H4 Na O2
• SMILES: O.[Na+].O.[Cl-]
• Title of publication: Sodium Chloride Dihydrate Crystals: Morphology, Nucleation, Growth, and Inhibition
• Authors of publication: Bode, Arno A. C.; Pulles, Paul G. M.; Lutz, Martin; Poulisse, Ward J. M.; Jiang, Shanfeng; Meijer, Jan A. M.; van Enckevort, Willem J. P.; Vlieg, Elias
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3166
• a: 6.32184 ± 0.00007 Å
• b: 10.11135 ± 0.00008 Å
• c: 6.50351 ± 0.00004 Å
• α: 90°
• β: 114.252 ± 0.001°
• γ: 90°
• Cell volume: 379.031 ± 0.006 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0176
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No