Information card for entry 2209742

Structure parameters

• Chemical name: Ethylenediammonium fluorotrioxophosphate
• Formula: C2 H10 F N2 O3 P
• Calculated formula: C2 H10 F N2 O3 P
• SMILES: P(=O)([O-])([O-])F.[NH3+]CC[NH3+]
• Title of publication: Ethylenediammonium fluorotrioxophosphate at 150 K
• Authors of publication: Fábry, Jan; Dušek, Michal; Krupková, Radmila; Vaněk, Přemysl
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3217 - o3219
• a: 6.7916 ± 0.001 Å
• b: 12.694 ± 0.009 Å
• c: 15.93 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1373.4 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.41
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes