Information card for entry 2012693

Structure parameters

• Chemical name: bis(ammonium) fluorophosphate
• Formula: F H8 N2 O3 P
• Calculated formula: F H8 N2 O3 P
• SMILES: FP(=O)([O-])[O-].[NH4+].[NH4+]
• Title of publication: Bis(ammonium) fluorophosphate at room temperature
• Authors of publication: Krupková, Radmila; Fábry, Jan; Císařová, Ivana; Vaněk, Přemysl
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: i66 - i68
• a: 7.9481 ± 0.0002 Å
• b: 11.3472 ± 0.0003 Å
• c: 6.0425 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 544.97 ± 0.03 ų
• Cell temperature: 292 ± 1 K
• Ambient diffraction temperature: 291 K
• Cell measurement pressure: 10000 kPa
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for significantly intense reflections: 1.79
• Goodness-of-fit parameter for all reflections included in the refinement: 1.76
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes