Information card for entry 2104759

Structure parameters

• Common name: 2NA SA double salt
• Formula: H16 N6 O10 S
• Calculated formula: H16 N6 O10 S
• SMILES: S(=O)(=O)([O-])[O-].O=N(=O)[O-].O=N(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]
• Title of publication: Structures of relevant ammonium salts in fertilizers
• Authors of publication: Montejo-Bernardo, J. M.; García-Granda, S.; Fernández-González, A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: 358 - 365
• a: 10.3178 ± 0.0002 Å
• b: 11.4014 ± 0.0002 Å
• c: 10.2567 ± 0.0002 Å
• α: 90°
• β: 105.956 ± 0.001°
• γ: 90°
• Cell volume: 1160.09 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1373
• 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