Information card for entry 4313263

Structure parameters

• Chemical name: triammonium hydrogen disulphate
• Formula: H13 N3 O8 S2
• Calculated formula: H13 N3 O8 S2
• SMILES: [NH4+].[NH4+].[NH4+].S(=O)(=O)(O)[O-].S(=O)(=O)([O-])[O-]
• Title of publication: H-Bonding Dependent Structures of (NH4+)3H+(SO42-)2. Mechanisms of Phase Transitions
• Authors of publication: Paulina M. Dominiak; Joanna Herold; Waclaw Kolodziejski; Krzysztof Woźniak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1590 - 1598
• a: 15.39 ± 0.003 Å
• b: 5.848 ± 0.0012 Å
• c: 10.14 ± 0.002 Å
• α: 90°
• β: 101.81 ± 0.03°
• γ: 90°
• Cell volume: 893.3 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No