Information card for entry 2241193

Structure parameters

• Chemical name: Tris(hydroxylammonium) orthophosphate
• Formula: H12 N3 O7 P
• Calculated formula: H12 N3 O7 P
• SMILES: P(=O)([O-])([O-])[O-].O[NH3+].O[NH3+].O[NH3+]
• Title of publication: Crystal structure of tris(hydroxylammonium) orthophosphate
• Authors of publication: Leinemann, Malte; Jess, Inke; Boeckmann, Jan; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: i10 - i11
• a: 10.7072 ± 0.0009 Å
• b: 10.7072 ± 0.0009 Å
• c: 11.0283 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1094.94 ± 0.18 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes