Information card for entry 2205767

Structure parameters

• Common name: Hepta-ammonium bis(hydrogenphosphate) phosphate
• Chemical name: heptaammonium bis(hydrogenphosphate) phosphate
• Formula: H30 N7 O12 P3
• Calculated formula: H30 N7 O12 P3
• SMILES: P(=O)(O)([O-])[O-].P(=O)(O)([O-])[O-].P(=O)([O-])([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
• Title of publication: (NH~4~)~7~(HPO~4~)~2~(PO~4~), heptaammonium bis(hydrogenphosphate) phosphate
• Authors of publication: Nolte, Matthias; Pantenburg, Ingo; Meyer, Gerd
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: i84 - i86
• a: 10.4667 ± 0.0017 Å
• b: 6.2976 ± 0.0007 Å
• c: 14.072 ± 0.002 Å
• α: 90°
• β: 103.738 ± 0.019°
• γ: 90°
• Cell volume: 901 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes